AppliedChem doi: 10.3390/appliedchem6030046

Authors: Giovanna Ficano Ilaria Maria Cigognini Elena Peluso Chiara Zurlini Domenico Cacace

The increasing demand for seafood over the years has led to an increase in by-products produced by the seafood processing sector. These by-products, which can represent up to 70% of processed products, are rich in nutrients and bioactive compounds, allowing them to be used in several sectors, such as food, packaging, cosmetics and pharmaceutics, provided that recovery occurs in an eco-friendly manner. In the present work, two lactic acid bacteria (Lactobacillus lactis and L. brevis) and the yeast Yarrowia lipolytica, which are organisms capable of producing organic acids and proteases during the fermentation process, were used separately to extract chitin from deep-water shrimp (Aristeus antennatus) by-products. The results showed that L. lactis was the most effective microorganism in removing both the mineral and protein fractions; therefore, it was chosen to optimize the chitin extraction technique, after which chitin was eventually converted into chitosan. The obtained chitosan showed a deacetylation degree (DDA%) of 82%, indicating good film-forming capacity. The developed biological technique allowed the valorization of shrimp by-products by recovering chitin and eventually chitosan, allowing us to produce biofilms that could help prolong seafood shelf life and, from a circular economy point of view, contributing further to promoting the sustainability of the production sector.

AppliedChem doi: 10.3390/appliedchem6030045

Authors: Yordanka B. Ivanova Trayana S. Nedeva Iliyana K. Rasheva Stanimira T. Ivanova Viliana D. Miteva Ekaterina I. Todorova Ognyan I. Petrov

A series of chlorinated chalcone derivatives containing oxazole and thiazole rings were synthesized via Claisen–Schmidt condensation of 6-acetyl-2(3H)-benzoxa(thia)zolone with substituted chlorobenzaldehydes. The synthesized compounds were evaluated for their antimicrobial activity against selected bacterial and fungal strains. Several compounds demonstrated moderate antimicrobial activity against the tested microorganisms.

AppliedChem doi: 10.3390/appliedchem6030044

Authors: Fredy Taipe-Pardo Jhoel Flores Alvarez Yasmine Diaz Barrera Dannya Arone Palomino Yesica Quispe Fuentes Mirian E. Obregón-Yupanqui

Andean crops can be efficiently incorporated into food industrialization after the characterization of their components. This study evaluated tarwi (Lupinus mutabilis Sweet) flours from three ecotypes: PNTF (punto negro), WTF (white), and MTF (moro), with a particle size of 125 µm, analyzing their color, proximate composition, amino acid profile, bioactive compounds, and spectroscopic, thermal, and microstructural properties. Significant differences among ecotypes were determined at p < 0.05. The white ecotype showed greater accumulation in Dx (50), while black point exhibited the highest Dx (90), indicating a higher proportion of large particles. Regarding color, WTF presented the highest lightness and whiteness index, PNTF intermediate values, and MTF the darkest coloration, with greenish tones in black point and reddish tones in moro. The MTF ecotype showed the highest protein content (56.28%) and higher levels of essential amino acids, with methionine being the limiting amino acid. It also contained phenolic compounds ranging from 29.97 to 35.49 mg GAE/100 g, flavonoids from 9.36 to 10.8 mg quercetin/100 g, and antioxidant capacity measured by DPPH ranging from 25.79 to 55.30 mg TE/100 g, particularly notable in MTF. PNTF stood out for its dietary fiber (5.93%) and carbohydrate (17.22%) content. Infrared spectroscopy analysis revealed a similar macromolecular fingerprint among the samples. Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA) indicated greater thermal stability in MTF. Scanning Electron Microscopy (SEM) revealed greater compaction of irregular particles in MTF and greater dispersion in PNTF. These results support the differentiated valorization of tarwi ecotypes as complementary raw materials for the development of high-value-added foods in the current food industry.

AppliedChem doi: 10.3390/appliedchem6030043

Authors: Gérard Vergoten Christian Bailly

The divalent metal transporter DMT1 (SLC11A2) is implicated in diverse human pathologies including cancers, inflammatory and degenerative diseases. Small molecules targeting this membrane protein are actively searched. Following the identification of the pyranocoumarin praeruptorin A as an inhibitor of ferroptosis that is able to bind to DMT1, we have investigated the interaction of related natural products with DMT1 using molecular modeling to determine structure-binding relationships. Two series of compounds were tested: praeruptorins A-H and qianhucoumarins A-J, all isolated previously from the roots of the Chinese medicinal plant Peucedanum praeruptorum Dunn (Bai-Hua Qian-Hu). The antitumor compound praeruptorin C was identified as the best DMT1 ligand in the series, with a binding capacity largely superior to that of praeruptorin A and also well superior to the reference organoselenium product ebselen, at least from an in silico perspective. Praeruptorin C, and to a lower extent praeruptorins F and H, can form stable complexes with DMT1 upon binding close to the ebselen binding site. Qianhucoumarins C and I were also identified as potential binders. Altogether, the analysis of the 18 natural products enabled identification of structural elements implicated in the target binding process. The curvature of the tricyclic pyranocoumarin scaffold and the angeloyl side chain at position 9 seem to contribute importantly to the protein interaction. An experimental validation is required but the docking study paves the way to the discovery and design of tricyclic coumarin derivatives targeting DMT1.

AppliedChem doi: 10.3390/appliedchem6030042

Authors: Judit Csabai Oleksandra Kolesnyk Maryna Kryvtsova Oleh Kolesnyk Judit Dobránszki Zsolt Tibor Hörcsik Béla Szabó Edit Kosztyuné Krajnyák Zoltán Cziáky

Agastache foeniculum (Pursh) Kuntze, a member of the Lamiaceae family, is a phytochemically rich yet underexplored species with potential biomedical applications. This study aimed to provide an organ-specific chemical characterization of its secondary metabolites and to evaluate the antimicrobial potential of ethanolic extracts derived separately from its leaves and flowers. Using UHPLC-MS/MS, we identified a total of 54 compounds, including phenolic acids and flavonoids. In total, 35 compounds in the flower extract and 38 in the leaf extract were reported here for the first time. The antimicrobial activity of both extracts was tested against six multidrug-resistant (MDR) clinical bacterial isolates (Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Citrobacter freundii, Achromobacter xylosoxidans, and Acinetobacter baumannii) using seven concentration levels (12.5–87.5%). While the leaf extract showed limited antibacterial effects, the flower extract demonstrated stronger, concentration-dependent inhibitory effects. At concentrations of 62.5% and above, it markedly reduced viable bacterial counts in all tested MDR strains. These findings highlight the importance of organ-specific phytochemical analysis in medicinal plants and suggest that A. foeniculum, particularly its flowers, may serve as a promising source of bioactive compounds for further antimicrobial research and development.

AppliedChem doi: 10.3390/appliedchem6020041

Authors: Rita Székelyhidi Beatrix Sik

This study aimed to produce, analyze, and evaluate the consumer acceptance of caffeine-enriched (15, 30, 60, and 90 mg/100 mL) grape must, which does not contain any added sweeteners or preservatives, to meet today’s popular health-conscious consumer trends. Regarding acid composition, the musts contained malic acid (426.96–491.58 mg/100 mL) and succinic acid (74.53–84.79 mg/100 mL). Musts are regarded as water-soluble sugars, containing only glucose (6158.81–9417.09 mg/100 mL) and fructose (6798.37–10,482.53 mg/100 mL), which are typical in fruits. The must’s TPC and TAC contents were determined to be between 11.42 and 14.14 mg GAE/100 mL, and 8.14 and 11.80 mg AAE/100 mL, respectively. During the analysis of caffeine content, recovery values of 93.89–96.98% were determined. The must samples containing 60 and 90 mg/100 mL caffeine had too intense a bitter flavor; thus, the enjoyment value of the products was reduced based on consumer feedback. The must containing 15 mg/100 mL of caffeine had the most favorable organoleptic properties.

AppliedChem doi: 10.3390/appliedchem6020040

Authors: Sutrasno Kartohardjono Angelia Angelia Shakila Salma Hanifa Khalila Siti Bramantyo Woei Jye Lau

This study produced and analyzed composite membranes composed of polysulfone (PSf), polyvinylpyrrolidone (PVP) and Metal–Organic Framework (ZIF-8) for treating effluent generated by the Batik industry. The incorporation of ZIF-8 was performed to enhance membrane efficiency. The findings indicated that ZIF-8 markedly enhanced hydrophilicity and pure water flux of membranes. The M-0.5 membrane containing 0.5 g of ZIF-8 demonstrated superior performance, with a water contact angle of 49.4° and a porosity of 83.5%. In contrast, the ZIF-8-free membrane (M-0) displayed a water contact angle and porosity of 66.3° and 76.7%, respectively. These combined characteristics enabled the M-0.5 membrane to achieve the highest pure water flux of 197.1 L m−2 h−1 at 5 bar. All membranes attained complete total suspended solids (TSS) rejection at 100% efficiency. Turbidity rejection rates ranged from 75% to 92%, whilst color rejection rates ranged from 65.7% to 87.6%. The maximum chemical oxygen demand (COD) rejection observed was 57.9%, achieved by the M-0.25 membrane (0.25 g of ZIF-8) at an operational pressure of 4 bar. Meanwhile, for permeability and hydrophilicity, the ideal loading is 0.5 g of ZIF-8 (M-0.5). This concentration yielded the optimal equilibrium of porosity (83.5%), the minimal water contact angle (49.4°), and the maximal pure water flux (197.1 L m−2 h−1). Nonetheless, the TDS rejection rate was rather low at 8.0–21.1%. The membrane effectively preserved effluent pH stability between 7.9 and 8.3. The aggregation of ZIF-8 at elevated concentrations diminished mechanical strength and selectivity. Additional optimization is required to equilibrate these performance indicators.

AppliedChem doi: 10.3390/appliedchem6020039

Authors: Emilio Mateev Stefan Kostov Valentin Karatchobanov Magdalena Kondeva-Burdina Maya Georgieva

Alzheimer’s disease (AD) is a multifactorial neurodegenerative disorder characterized by the accumulation of the toxic protein amyloid-β, formation of tau-containing neurofibrillary tangles, neuroinflammation, and synaptic dysfunction, highlighting the need for new therapeutic strategies capable of modulating multiple pathological pathways simultaneously. In this study, a structure-based in silico approach was applied to evaluate the multi-target potential of two previously reported pyrrole-based compounds (pyrrole 1 and pyrrole 2) with known monoamine oxidase-B (MAO-B) inhibitory activity and low neurotoxicity. Molecular docking studies were performed against a panel of key AD-related targets, including GSK-3β, APP, MAO-B, BACE1, AChE, BChE, COX-2, GABA-B receptor, NMDA receptor, and E3 ubiquitin ligase CHIP, using Glide XP docking. The results revealed that compound pyrrole 1 may have favorable predicted binding affinities across several targets, with relatively strong docking scores for GSK-3β and COX-2. The binding mode analysis indicated that pyrrole 1 adopts poses consistent with interaction patterns commonly observed for ATP-competitive GSK-3β inhibitors and COX-2 ligands. In silico ADMET profiling using the software SwissADME and ProTox 3.0 indicated distinct pharmacokinetic and safety profiles for the two compounds, with pyrrole 2 showing superior drug-likeness and predicted blood–brain barrier penetration, while pyrrole 1 displayed a more favorable overall toxicity profile. Collectively, these findings identify pyrrole 1 as a theoretically promising multi-target candidate for AD requiring experimental validation, while providing a strong structural basis for further optimizations and subsequent experimental confirmation.

AppliedChem doi: 10.3390/appliedchem6020038

Authors: Christina Podara Eleni Gkartzou Christos Tsirogiannis Theodoros Gkikarakis Costas Charitidis

The recycling of polyethylene terephthalate (PET) into value-added products suitable for additive manufacturing remains challenging due to molecular degradation and insufficient melt strength. In this study, post-consumer recycled PET was upcycled via chain extension to develop filaments suitable for fused filament fabrication (FFF). Two chain extenders were evaluated: an epoxy-based multifunctional oligomer (Joncryl® ADR-4468) and a tetrafunctional aromatic dianhydride (pyromellitic dianhydride, PMDA). Joncryl® ADR-4468 increased the complex viscosity and viscoelastic moduli of rPET; however, the response was non-monotonic and resulted in limited filament dimensional stability. In contrast, rPET/vPET (70/30) blends modified with PMDA exhibited a pronounced and reproducible enhancement in melt viscosity and elasticity, enabling the production of a continuous filament with a stable diameter (1.75 ± 0.05 mm). Differential scanning calorimetry indicated that PMDA had a negligible effect on the glass transition temperature, while slightly reducing crystallinity, which is beneficial for FFF processing. Preliminary printing trials confirmed stable extrusion and controlled deposition behaviour for the PMDA-modified formulation. Overall, the results demonstrate that chain extension using PMDA is an effective strategy to restore melt processability and enable the use of recycled PET in filament-based additive manufacturing.

AppliedChem doi: 10.3390/appliedchem6020037

Authors: Maria Marudova Sofia Milenkova Vanesa Koycheva Krastena Nikolova Natalina Panova Asya Viraneva

The release kinetics of functional compounds from active packaging systems plays a crucial role in determining their efficiency, as it directly affects the availability of the incorporated agents and the extension of the product’s shelf life. Therefore, controlled release behaviour is essential for optimizing the functionality of such materials. In the present study, corona treatment was used as a surface modification technique to tailor the release behaviour of polyphenols—curcumin, quercetin, and rutin—from polylactic acid (PLA) films. Polyphenol release was performed in a model medium (3% acetic acid), and the experimental data were fitted using commonly applied kinetic models to elucidate the release mechanism. The results indicate that corona-treated films exhibit significantly accelerated release kinetics and higher cumulative release compared to untreated samples. To interpret the observed behaviour, different surface characterization techniques were applied. Scanning electron microscopy (SEM) revealed only minor changes in the morphology of the uncharged and charged samples, which are unlikely to account for the observed differences in the release behaviour. Fourier transform infrared spectroscopy (FT-IR) confirmed that corona treatment has led to formation of new peaks in PLA spectrum and change in the shape and intensity in PLA–polyphenol loaded films. Contact angle measurements demonstrated increased surface wettability after treatment. These changes are associated with enhanced polymer–medium interactions and improved mobility of the incorporated polyphenols, leading to accelerated release. These findings demonstrate that corona treatment is an effective strategy for tuning the release kinetics of PLA-based systems. The developed materials show strong potential for use in active packaging applications, where controlled release of antioxidant compounds is essential for extending product shelf life.

AppliedChem doi: 10.3390/appliedchem6020036

Authors: Inmaculada Moscoso-Ruiz Miriam Conforto-Álvarez Inés Alejandra Cea-Pavez Vito Verardo

Background: The invasive macroalga Rugulopteryx okamurae poses severe environmental challenges but presents an opportunity as a sustainable source of valuable carbohydrates. This study develops an eco-friendly method to extract monosaccharides from this biomass. Methods: Ultrasound-assisted extraction (with sonotrode) using water as the solvent was optimized with Design of Experiments, and the time, power and mass:solvent ratios were evaluated. The monosaccharide composition was evaluated by gas chromatography coupled to high-resolution mass spectrometry (GC-QTOF). Results: The analytical method was validated for accurate monosaccharide quantification using oximes and silylation, achieving a fast time of analysis (<20 min). The optimized UAE (1:15 mass:solvent ratio, 70% power, 30 min) yielded a total monosaccharide concentration of 210 mg mL−1, significantly outperforming traditional acidic hydrolysis. Compared to the extraction of monosaccharides from the well-known seaweed Ulva ohnoi (31 mg mL−1), it is far superior. Mannitol comprised 95% of the total extract. Conclusions: This scalable and green UAE methodology valorizes this seaweed by achieving high yields of simple sugars, offering a sustainable resource for industrial applications while mitigating the environmental impact of this invasive species.

AppliedChem doi: 10.3390/appliedchem6020035

Authors: Oliviero Maccioni Daniele Pizzichini Gian Paolo Leone Silvia Procacci Severina Pacifico Loretta Bacchetta Paola Sangiorgio

Almond blanched skins (BS) and blanch water (BW) are underutilized agro-industrial by-products, despite their richness in polyphenols and other bioactive compounds. This study investigates the reuse of BW as an extraction solvent to recover polyphenols from BS, avoiding the need for additional water or organic solvents. BW showed a total polyphenol content (TPC) of 475.2 ± 10.7 µg GAE/mL and a Total Antioxidant Capacity (TAC) of 840.4 ± 41.8 µM TE. Thermal extraction at 115 °C and 1.7 atm for 1 h (1:10 BS/BW w/v) produced an enriched blanch water (EBW) with a TPC of 809.2 ± 12.1 µg GAE/mL and a TAC of 2188.8 ± 3.6 µM TE. Subsequent microfiltration and nanofiltration further concentrated the bioactive fraction, with the nanofiltration retentate exhibiting a 2.8-fold increase in TPC and a 2.1-fold increase in TAC compared to the EBW feed. Spray-drying generated a fine, homogeneous, and storage-stable powder without loss of antioxidant capacity. UHPLC-QqTOF-MS/MS analysis identified catechins and their derivatives, procyanidins, and flavanol glycosides as the main polyphenols contributing to the strong antioxidant capacity of the powder. Overall, this workflow provides a scalable and water-saving strategy to convert almond-processing residues into high-value functional ingredients for food, cosmetic, and pharmaceutical applications.

AppliedChem doi: 10.3390/appliedchem6020034

Authors: Daniel-Florin Pîrvan Aglaia Popa Florentina Israel-Roming

Polyphenols are present in honey due to the collection of nectar and pollen. These bioactive compounds may be used for assessing honey’s composition, antioxidant capacity and overall quality. This study presents the development and validation of an optimized liquid chromatography coupled with photodiode array detection with mass spectrometry confirmation (HPLC-PDA-MS) method for the determination of eight phenolic acids (chlorogenic acid, rosmarinic acid, caffeic acid, syringic acid, p-coumaric acid, ferulic acid, vanillic acid, and gallic acid) and four flavones (apigenin, rutin, luteolin, and quercetin) in diverse honey matrices. Method optimization focuses on improving chromatographic resolution, ionization efficiency and sensitivity through fine-tuning of mobile phase composition, gradient profile, and MS parameters. Validation followed international guidelines, evaluating linearity, accuracy, precision, limits of detection (LOD), limits of quantification (LOQ), recovery, and matrix effects. The method demonstrated excellent linearity (R2 ≥ 0.998), precision below 5%, and recoveries ranging from 85% to 110% across all the tested polyphenols. Repeatability test, assessed by injecting mixed standard solution six times in a row, resulted in RSD values below 3%. The LOD and LOQ values were in the low ng/g range, confirming the method’s high sensitivity. The optimized method was tested on four honey samples with different botanical origins. For sample preparation, a liquid–liquid extraction (LLE) protocol was followed, and the obtained chromatograms showed differences in phenolic composition. Overall, the validated HPLC-PDA-MS method provides a robust, sensitive, and reproducible analytical tool for the reliable quantification of polyphenols in honey. Its applicability across multiple honey types supports its use in routine quality control, authenticity verification, and research on honey’s bioactive profile.

AppliedChem doi: 10.3390/appliedchem6020033

Authors: Athanasios-Aggelos Theofilakos Spyros Giannas Georgia Paouri John Kapolos Lambros Farmakis

This study examines how olive oil acidity affects the stability of oil-in-water (O/W) nanoemulsions. Nanoemulsions were prepared using oils of 0.33, 4.67, and 12.66% w/w acidity, at 5, 10 and 15% v/v oil and 1.0, 1.5 and 2.0% v/v Tween-80, and stored for 120 h at 25 °C. High-acidity oil (12.66% w/w) produced the most stable systems, with conductivity reduced by ~40–60% compared to low-acidity oils (e.g., 31–52 μS/cm vs. 80–145 μS/cm at 10–15% oil). Viscosity ranged from 1.55 mPa·s at 0.33% w/w to 1.87 mPa·s at 12.66% w/w. The optimal formulation—12.66% w/w acidity, 5% v/v oil, and 1.0% v/v Tween-80—yielded the smallest and most stable droplets, with low PDI (~0.26) and high negative ζ-potential (−36 to −44 mV). These results indicate that elevated free fatty acids and endogenous amphiphilic compounds can act as co-surfactants, enhancing interfacial stabilization and improving nanoemulsion performance.

AppliedChem doi: 10.3390/appliedchem6020032

Authors: Alejandra Villarreal Araujo Macdiel Acevedo Quiroz Brenda Escamilla Sánchez Verónica Martínez-Santos Mónica Ramírez Ricardo Salazar Ma. Elena Moreno Godínez Yaneth Castro Coronel Daniel Tapia Maruri Manasés González Cortazar Natividad Castro Alarcón Patricia Alvarez Fitz

Medicinal plants are recognized for their rich bioactive compounds, offering significant potential in the development of therapeutic alternatives to address current public health challenges. Plumbago auriculata is a traditionally used plant with the potential to treat various conditions. Therefore, this study evaluated the physicochemical properties and antibacterial and antivirulence potential of the lyophilized extract from Plumbago auriculata (ELPa). Physicochemical analysis revealed a highly porous morphology (pore diameter 5–10 µm), a yellowish-green color (Hue angle of 182.92), and a water activity (aw) of 0.5. Antibacterial assays established a minimum inhibitory concentration (MIC) of 64 mg/mL for clinical isolates of Escherichia coli (E. coli), Staphylococcus sciuri (S. sciuri), Staphylococcus aureus (S. aureus), Candida tropicalis (C. tropicalis), Streptococcus agalactiae (S. agalactiae), and Salmonella Dublin (S. Dublin) and 16 mg/mL for the E. coli CFT073 strain. Furthermore, ELPa demonstrated significant antivirulence properties; at a concentration of 8 mg/mL, the extract inhibited 55% of the swarming mobility and 58% of biofilm production in E. coli CFT073 after 24 and 48 h of exposure, respectively. The finding suggests that ELPa is a viable source of bioactive compounds with both antibacterial and antivirulence capabilities.

AppliedChem doi: 10.3390/appliedchem6020031

Authors: Doris Ostner-Kaineder Christoph Strasser Barbara Liedl Mark W. Hlawitschka Christoph Burgstaller

Increasing amounts of textile waste require rapid implementation of novel recycling technologies. Biocatalytic degradation via enzymatic hydrolysis can be used to separate blends, which are otherwise inaccessible. However, the complex nature of the substrate and narrow operating window of the reaction necessitates process optimization but also complicates computational approaches. The reaction is performed in aqueous suspension at ambient pressure and temperatures well below boiling. Due to the gentle process conditions, preliminary assessment of ideal stirrer geometries can be performed in water under ambient conditions, using stirrers produced from commodity plastics using material extrusion-based 3D-printing at both bench (2 L) and semi-pilot (30 L) scale. Eight geometries were assessed using suspension activity (via cloud height), mixing energy consumption, and mixing time assessment via tracer addition at the bench scale. Four of these geometries were chosen for scale-up in a 30 L conical vessel. While large, especially close-clearance mixing equipment performed well at both sizes, an increase in performance of the pitched-blade turbine was observed at 30 L. This highlights the necessity of experimental scaleup procedure as well as optimized stirrer geometries for enzymatic hydrolysis.

AppliedChem doi: 10.3390/appliedchem6020030

Authors: Liron Saar Makrabi Gal Carmeli Abraham Abbey Paul Robert S. Marks

Wildfires that destroy residential infrastructure can generate chemically complex soil contamination; however, post-fire screening is often limited and does not directly reflect biological hazards. Herein, we integrated a multi-stress lux-based whole-cell bioreporter panel of genetically engineered Escherichia coli strains with non-targeted LC-MS profiling to obtain a mechanism-informed assessment of soils collected from a residential property impacted by the January 2025 Los Angeles wildfires. The bioreporter panel resolved heterogeneous and statistically significant stress signatures across the analyzed samples. In particular, extracts from U3–U5 produced selective suppression of the membrane and fatty acid biosynthesis bioreporters, along with reduced growth. In contrast, extract U5 induced a proteotoxic heat-shock response signature. In parallel, non-targeted LC-MS detected 1813 chemical features and enabled the putative annotation of a subset of signals consistent with combustion-derived organics and reactive electrophiles, providing a chemical context for the observed bioassay fingerprints. The integrated workflow provides mechanism-resolved hazard triage within 48 h, as implemented herein (24 h elutriate preparation plus up to 20 h microplate kinetics), supporting the prioritization of hotspots for confirmatory analysis, remediation, and risk assessment.

AppliedChem doi: 10.3390/appliedchem6020029

Authors: Marcello Pagliero Francesca Passaro Antonio Comite Ilaria Rizzardi Lilia Longo Giulia Forghieri Michela Signoretto

Biochar is a carbon-rich material produced from biomass pyrolysis whose properties can be tailored for various applications, including soil improvement, water purification, and catalysis. Its light absorption capacity also makes it promising for solar-driven processes like water evaporation. Photothermal membrane distillation (PMD) combines membrane separation with light-induced heating for efficient water purification. Unlike conventional membrane distillation, PMD utilizes light-absorbing materials to enhance vapor pressure and overcome temperature polarization, a common issue in membrane distillation. This study explored the potential of biochars and activated biochars, as filler materials for photothermal membranes, in line with circular economy principles. The mixed matrix membranes were prepared in a single step, via non-solvent induced phase separation starting from a uniform dispersion of the filler in a polyvinylidene fluoride solution. These materials exhibited great heating performance, reaching surface temperature up to 36 °C under a 125 W/m2 light source. Increasing the biochar loading up to 15 wt.% resulted in an 85% increase in distillation flux under light irradiation.

AppliedChem doi: 10.3390/appliedchem6020028

Authors: Mohammad Mahmudul Hasan Md. Sajjad Hossain Most. Zakiya Islam Saumik Das Pantha Mahfuj Ahmed Rifat Ara Hridi Md. Hasanuzzaman Imtiaz Faruk Chowdhury

The extensive use of agrochemicals and plastic materials has led to the accumulation of persistent pollutants in agricultural soils, raising concerns about agroecosystems through posing potential risks to soil and environmental health. This review synthesizes recent knowledge on these pollutant sources, including their distribution, fate, transformation pathways, and detection methods, as well as their impacts on soil physicochemical properties, microbial populations, plants, and ecosystems. Existing findings indicate that agrochemicals and micro-nano plastics (MPs-NPs) can significantly impede the stability of soil aggregation, increase soil water holding capacity (WHC) and porosity, reduce bulk density and infiltration, alter soil structure, and affect soil pH, cation exchange capacity (CEC), electrical conductivity (EC), and nutrient retention capacity. Moreover, exposure to these pollutants alters soil microbial communities, enzymatic activity, nitrification and denitrification processes, and arbuscular mycorrhizal fungi (AMF), thereby affecting carbon pools and fluxes as well as nutrient cycling. However, the magnitude and direction of these effects are strongly influenced by soil type, pollutant class, concentration, and physicochemical properties. Furthermore, terrestrial and aquatic ecosystems are negatively affected due to the presence of such persistent pollutants by impairing their physiological processes. Despite these findings, mechanistic understanding remains limited due to a lack of long-term field investigation and proper detection methods, particularly regarding NPs. A comprehensive understanding of agrochemical and MP-NP interactions is essential for developing sustainable soil management strategies and agroecosystems. Future studies should address the development of standardized NP detection methods and the conducting of long-term field studies to elucidate MP-NP and agrochemical interactions, soil impacts, and crop uptake mechanisms.

AppliedChem doi: 10.3390/appliedchem6020027

Authors: Samuele Pellacani Marina Cocchi Enrico Busi Stefano Raimondi Silvia Grassi Sara Limbo Serena Gobbi Caterina Durante Lorenzo Strani

Food waste valorization represents a critical challenge and opportunity for sustainable food systems. This study investigated the reuse of sauce production by-products through two approaches: (i) solvent-free recovery of an oil-rich fraction and (ii) development of polymeric films for potential edible or biodegradable packaging. Centrifugation recovered approximately 10 g per 100 g of by-product. The recovered oil was characterized for total polyphenols and fatty acid composition, showing a profile consistent with vegetable oils (mainly olive oil), with minor contributions attributable to cheese and meat components. A full factorial design was used to prepare and test films and to study the effects of the three ingredients used, namely pectin, carvacrol, and sauce by-products, on their mechanical, surface, and antibacterial properties. Chemometric analysis based on principal component analysis (PCA) and regression-based modeling (multiple linear regression and response surface analysis) was applied to identify the relationships among the responses and the most influential factors. Among the tested formulations, N3 (low pectin and by-product; high carvacrol) showed the most favorable overall balance, combining the strongest antibacterial activity (mean inhibition halo diameter of 14.8 mm and 17.8 mm against Escherichia coli ATCC 11229 and Staphylococcus aureus ATCC 6538, respectively) with favorable mechanical performance, including the highest maximum force (0.53 ± 0.01 MPa) and elastic modulus, (6.8 ± 0.01 MPa) and intermediate elongation (12 ± 3%) and work at maximum force (11.9 ± 0.9 N mm).

AppliedChem doi: 10.3390/appliedchem6020026

Authors: Ulin Antobelli Basilio-Cortes Lourdes González-Salitre David Cervantes-García Ricardo Torres-Ramos Mary Triny Beleño-Cabarcas Dagoberto Durán-Hernández José Gregorio Joya-Davila Henry López López

The style of a beer is determined by the combination of malts and hops, and the type of yeast used. The incorporation of date fruits into the fermentation process with non-conventional yeasts such as Lachancea spp. results in effective fermentation, influencing the kinetic parameters of yeast growth and prompting different physicochemical properties in the resulting beverage. The brewing process for a sour beer with Lachancea spp. yeast was optimized using a central composite rotational design and response surface methodology, and the growth kinetics were calculated. The optimal conditions required 500 g of dates, incorporated 59.46 h after starting the fermentation process. The results revealed a total phenolic content of 254.81 mg GAE/g, and the amount of titratable acidity was 2.66%. Under favorable operating conditions, the growth kinetic parameters of Lachancea spp. yeast revealed a rate of 0.78 μ.h−1 and a growth constant of 3.29 k (g/h). The addition of dates 60 h into fermentation with Lachancea spp. allows for technical control of acidity and efficient fermentation kinetics for the creation of sour craft beers.

AppliedChem doi: 10.3390/appliedchem6020025

Authors: Thomas Waluga Paras Nagshi

The estimation of kinetic parameters based on experiments is an important element in understanding the reaction mechanisms of enzymes and their intrinsic properties. However, increasing model complexity by introducing multiple parameters can lead to overparameterisation, resulting in poor parameter identifiability and potentially causing the model to describe noise rather than underlying biochemical mechanisms. In this study, we use the total quasi-steady-state assumption to clarify whether the parameters of multi-parameter models can be correctly identified even with a high number of parameters. Therefore, a basic model was used, and the number of parameters was increased successively. A Bayesian optimisation approach was applied, which predicted the next experiments with the highest information density in order to reduce the experimental effort required for the experiments. The results show, on the one hand, that the parameters of multi-parameter models can indeed be correctly identified. On the other hand, it also shows that under certain conditions, incorrect values were estimated, even though the consideration of confidence intervals suggested correct identification.

AppliedChem doi: 10.3390/appliedchem6020024

Authors: Theeba Rajasegran Shafreeza Sobri Santheraleka Ramanathan Kalaimani Markandan

Industrial wastewater containing heavy metals such as iron (Fe) and copper (Cu) remains a major environmental concern in Malaysia, since industrial effluents significantly contribute to national water pollution loads. Without proper treatment, these contaminants can accumulate in the ecosystem and pose long term risks to human health and aquatic life. This study evaluates the performance, sludge characteristics, and cost implications of alkaline precipitation using sodium hydroxide (NaOH) and calcium oxide (CaO) in the presence and absence of a polymeric flocculant (SW204) for heavy metal removal. Experimental findings reveal that both NaOH and CaO effectively removed heavy metals, where NaOH achieved removal efficiencies of 91.6% for Fe and 93.5% for Cu, while CaO removed 98.9% of Fe and 99.17% of Cu. The addition of polymer improved the treatment efficiency where removal up to 99.73% Fe and 99.80% Cu was achieved with the CaO and polymer system. Settling time improved drastically from 30 min when using NaOH to 2 min when using CaO and the polymer system, indicating the formation of denser and more compact flocs. The specific gravity and sludge weight also increased by approximately 4% with polymer addition, which may influence the disposal costs. Economic analysis revealed that CaO treatment is substantially more cost-effective than NaOH, yielding savings of approximately RM 15.77 per m−3 of effluent treated. Therefore, the combination of CaO and polymers provided the best balance of removal efficiency, settling performance, and cost reduction. The findings support the use of CaO-based systems as sustainable, high-efficiency alternatives for industrial wastewater treatment, all of which aligns with UN Sustainable Development Goals 6 (Clean Water and Sanitation) and 12 (Responsible Consumption and Production).

AppliedChem doi: 10.3390/appliedchem6020023

Authors: Daniela-Mădălina Anghel Anne-Marie Ciobanu Daniela-Luiza Baconi Mircea Bogdan Măciuceanu Zărnescu George Traian Alexandru Burcea-Dragomiroiu

Background: The quantification of Dexamethasone Sodium Phosphate (DSP) in injectable formulations is significantly hindered by the spectral overlap of the stabilizer creatinine within the UV region. This study aims to develop a green first-order derivative (D1) spectrophotometric method to resolve this analytical challenge. Methods: Distilled water was utilized as a sustainable solvent, aligning with green chemistry principles. To ensure high specificity, a matrix-matching calibration strategy with a constant 1:2 (w/w) DSP:creatinine mass ratio across the entire concentration range was employed. DSP was determined using the zero-crossing technique, measuring the D1 amplitude at λZC ≅ 231.3 nm, where the creatinine contribution is nullified. Results: Linearity was established for DSP concentrations between 4.0–16.0 μg/mL (R2 > 0.99). Method validation, as per ICH Q2 (R1) guidelines (International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use), demonstrated excellent accuracy (mean recovery of 99.85%) and precision (RSD < 2%). Conclusions: The proposed method offers a rapid, cost-effective, and eco-friendly alternative for the routine quality control of DSP injectables, eliminating the necessity for complex chromatographic separation techniques.

AppliedChem doi: 10.3390/appliedchem6020022

Authors: Liliya Stoyanova Maria Angelova-Romova Zhana Petkova Olga Teneva

The present study aimed to investigate the performance of two green solvents (2-methyloxolane (2-MeOx) and d-limonene) for the extraction of glyceride oil from tobacco seeds. Glyceride oil was isolated by three extraction methods with both solvents—Soxhlet extraction, maceration, and ultrasonic-assisted extraction. Soxhlet extraction with 2-MeOx gave the highest oil yield (35.0%), while maceration and ultrasonic methods resulted in lower yields (~25%). Tobacco seed oil extracted with 2-MeOx was rich in unsaturated fatty acids (69.2–84.0%), with linoleic acid predominating (38.0–68.5%). Soxhlet extraction with d-limonene resulted in the highest yield of glyceride oil (47%), while maceration and ultrasonic extraction produced 16% and 23%, respectively. Previous studies by the research group showed that Soxhlet extraction with n-hexane yielded 38.4 ± 0.5% oil. The fatty acid composition of oils obtained with d-limonene differed depending on extraction type—Soxhlet extraction showed higher saturated fatty acids (69.4%), whereas maceration and ultrasonic extraction produced a more unsaturated profile (57.4% and 72.4%, respectively). Ultrasonic extraction with both solvents generated oils approaching the ideal saturated: monounsaturated: polyunsaturated ratio. Lipid index evaluation indicated that oils extracted with 2-MeOx exhibit a healthier but thermally sensitive profile, while d-limonene oils are more stable and suitable for storage and processing.

AppliedChem doi: 10.3390/appliedchem6020021

Authors: Maria Bachvarova Yordan Stremski Desislava Kirkova Stela Statkova-Abeghe Margarita Docheva

New benzazole–sesamol derivatives 6a–8c were synthesized via an easily accessible reaction based on the coupling of Sesamol with in situ generated electrophilic N-alkoxycarbonylbenzazolium ions. This strategy successfully integrated benzothiazole, benzimidazole, and 5,6-dimethylbenzimidazole fragments with the biologically active natural lignan Sesamol. The structural integrity and the specific position of the newly formed C–C bond was confirmed by 1H-, 13C{1H}-, HSQC-NMR, FTIR, and HRMS analyses. The obtained compounds with yields in the range of 71–95% were evaluated for their in vitro radical scavenging activity and subjected to in silico predictions of mutagenicity and toxicity. Radical scavenging activity studies demonstrate that the introduction of a benzothiazoline ring (compounds 6a and 6b) enhances radical scavenging activity compared to Sesamol in the DPPH assay, outperforming the benzimidazole analogues. In silico analyses identified compounds 7b, 7c, 8a, 8b, and 8c as promising molecules due to the absence of mutagenic and irritant effects and their low toxicity profiles. In particular, compounds 7a, 7b, and 8a were found to be significantly safer than Sesamol. Compound 7a exhibited the highest safety profile, characterized by an LD50 value of 3046.92 mg/kg.

AppliedChem doi: 10.3390/appliedchem6020020

Authors: Yoko Nunome Ayano Fujii Chika Shimabukuro Kenji Kodama Kohei Kawabata Hiroyuki Nishi

Despite their significance as forensic targets, alkyl nitrites, classified as illegal drugs, have received little attention in forensic analysis due to their high volatility and chemical instability. Here, we present a high-performance analytical approach using a pulsed dc soft plasma ionization-quadrupole mass spectrometry (pulsed dc SPI-MS) system, uniquely designed to operate using ambient air as the discharge gas. In this system, the modulation of the duty ratio functions as a “structural probe” to identify reactive isomers. Unlike conventional dielectric barrier discharge (DBD) sources that typically operate at atmospheric pressure, our SPI system utilizes a controlled pressure regime of several kPa, where the nitrogen in the ambient air effectively functions as a third-body gas to suppress excessive internal energy. The control of the duty ratio in our pulsed dc SPI source allowed for the successful manipulation of ion–molecule reaction pathways for highly reactive analytes. By optimizing several parameters, including duty ratio and discharge pressure, we achieved a unique ionization regime where the molecular-related ion [2 M − 3 H]+ was predominantly detected as the base peak with minimal fragmentation. Notably, by reducing the duty ratio from 50% to 5%, both the target ion occupancy and signal intensity were significantly enhanced, achieving a limit of detection (LOD) as low as 0.16 parts per million by volume (ppmv). This sensitivity is several orders of magnitude higher than previously reported thresholds, enabling rapid identification of C4–C6 alkyl nitrite isomers. This method transforms the duty ratio into a powerful diagnostic tool for identifying reactive intermediates, providing a practical and efficient approach for the onsite identification of illegal alkyl nitrites in forensic and security fields.

AppliedChem doi: 10.3390/appliedchem6010019

Authors: Sabrina Bianchi Flavia Bartoli Michele Pinna Pierpaolo Minei Daniele Filidei Ilaria Canesi Noemi Cei Daniele Spinelli Maria Beatrice Coltelli

The recycling of polyamide 6 (PA) and elastane (EL) from post-consumer textiles is increasingly relevant for sustainable materials development. This study investigates blends obtained from a commercial PA fabric containing 16% EL, processed via extrusion under various conditions to evaluate the influence of temperature, screw type, and speed on phase morphology and thermo-mechanical performance. The results demonstrate that processing parameters, particularly temperature, significantly affect melt viscosity and the final mechanical properties of the blends. Enhanced ductility was observed in all recycled samples compared to pure PA, indicating that mechanical recycling is a promising strategy for PA/EL textile waste. These findings support the feasibility of this approach, while highlighting the need for further research into compatibilization techniques and industrial scalability.

AppliedChem doi: 10.3390/appliedchem6010018

Authors: Hyunhak Jung Kyong-Hwan Chung

PrFeTiO3 perovskite composite was synthesized, and its structural, morphological, chemical, and optical properties were comprehensively characterized. X-ray diffraction (XRD) and a selected area electron diffraction (SAED) confirm the formation of an orthorhombic distorted perovskite phase with no secondary impurities. Transmission electron microscope (TEM) observations show aggregated nanocrystalline domains, while EDS mapping reveals homogeneous cation distribution (Pr, Fe, Ti, O), confirming successful incorporation of Fe and Ti into the perovskite lattice. X-ray photoelectron spectroscopy (XPS) analysis identifies Pr3+, Fe3+, and Ti4+ as the dominant oxidation states, supporting charge-compensated B-site substitution. Optical analysis reveals a bandgap of ~2.0 eV, significantly narrower than pristine titanates, indicating enhanced visible-light absorption. This multi-modal characterization verifies the successful formation of PrFeTiO3 and highlights its potential as a visible-light-active photocatalyst. Although PrTiO3 showed little reactivity to visible light, PrFeTiO3 showed excellent efficiency in visible light photocatalytic reactions. PrFeTiO3 showed more than 20 times better performance than PrTiO3 in the photodegradation of methylene blue in the liquid phase and formaldehyde in the gas phase. Furthermore, PrFeTiO3 showed more than 95% superior bactericidal activity against the pathogenic bacterium Staphylococcus aureus than PrTiO3. Its high photocatalytic efficiency can be attributed to its strong photosensitivity to visible light and small band gap energy.

AppliedChem doi: 10.3390/appliedchem6010017

Authors: Liliana Ruiz-Vasquez Lastenia Ruiz Mesia Martha M. Maco Jeef A. Zapata Hivelli Ricopa Cotrina Marianela Cobos Viviana Pinedo-Cancino Fernando Tello Juan C. Castro

The Folin–Ciocalteu method remains the standard approach for quantifying total phenolics in plant extracts; however, matrix-specific optimization is essential for obtaining accurate results for chemically complex botanical materials. The Peruvian Amazon harbors extensive botanical biodiversity, including numerous medicinal species with uncharacterized phenolic profiles. This study developed and validated a Folin–Ciocalteu method specifically optimized for twelve ethnomedicinal plants representing eleven families from the Peruvian Amazon, following ICH Q2(R2) guidelines. Method optimization established optimal analytical conditions: 765 nm wavelength, 60 min reaction time, 14.05% sodium carbonate, and gallic acid as the reference standard. Comprehensive validation demonstrated excellent linearity (R2 = 0.995–1.000), specificity confirmed through parallel standard addition curves (slope differences < 3%), precision with relative standard deviations below 2.63% for both repeatability and intermediate precision, and accuracy with recovery of 89.43 ± 2.76% meeting AOAC guidelines for complex matrices (80–120%). Robustness testing via response surface methodology confirmed method stability across variations in sodium carbonate concentration (7.50–14.05%), Folin–Ciocalteu reagent dilution (50–100%), and reaction time (30–90 min). Limits of detection and quantification were 4.43 and 13.44 μg/mL, respectively. Application to the twelve species revealed 10-fold variation in total phenolic content (24.6 ± 2.1 to 256.8 ± 4.3 mg gallic acid equivalents per gram dry extract), with Aspidosperma schultesii leaves exhibiting the highest concentration. This validated methodology provides a reliable analytical framework for the quality control and standardization of Amazonian medicinal plants, supporting bioprospecting efforts and therapeutic development.

AppliedChem doi: 10.3390/appliedchem6010016

Authors: Wioletta Barszcz Monika Łożyńska Maciej Życki Anna Kowalik-Klimczak Małgorzata Wojtkowska

A comprehensive study was conducted to determine the suitability of biochar produced from agricultural waste in the form of alfalfa (BL500) and corn (BC500) for methylene blue (MB) adsorption. As part of the research, biochar was produced at 500 °C by pyrolysis using a CO2 atmosphere. BL500 and BC500 biochar were characterised in terms of their physicochemical and structural properties using FTIR spectroscopy, Raman spectroscopy, and N2 adsorption–desorption. The produced biochars are characterised by a significant ash content and high carbon content. They have a specific surface area of 4.12 m2/g (BL500) and 19.84 m2/g (BC500), a micro-mesoporous structure and are rich in functional groups (including OH, COOH, CO). BL500 biochar showed greater effectiveness in removing methylene blue (MB) than BC500, with maximum sorption capacities of 39.94 mg/g and 19.47 mg/g, respectively. Furthermore, kinetic model fitting indicated that the adsorption process follows a pseudo-second-order model and a Langmuir monolayer model. However, the intramolecular diffusion model (IPD) and Bangham models confirmed that the adsorption process does not occur in a single stage. The produced biochar can be used as a sustainable adsorbent for MB from aqueous solutions.

AppliedChem doi: 10.3390/appliedchem6010015

Authors: Yasunari Yamada Kohei Hayashi Kenji Yoshimochi Tsunehisa Hirose Motoshi Shimotsuma Takefumi Kuranaga Hideaki Kakeya Shozo Tomonaga Makoto Ozaki

Imidazole dipeptides (IDPs), including carnosine, anserine, and balenine, are functional food ingredients found in meats. They have been reported to exhibit high antioxidant activity. 2-Oxo-imidazole dipeptides (2-oxo-IDPs) are present in trace amounts in various tissues and show notably higher antioxidant activity compared with IDPs. Trace amounts of 2-oxo-IDPs are also present in commercial IDP reagents, suggesting that they affect the antioxidant activity of IDPs. Trace amounts of 2-oxo-IDPs were detected in IDP reagents from various manufacturers by HPLC. Some reagents with trace amounts of 2-oxo-IDPs exhibited higher antioxidant activity in a DPPH radical-scavenging assay compared with high-purity IDP reagents devoid of 2-oxo-IDPs. Therefore, it is important to use highly purified IDP reagents to measure antioxidant activity accurately. The antioxidant activity of highly purified IDPs and 2-oxocarnosine (2-oxo-Car) was evaluated through their ability to protect protein and DNA from ROS. 2-Oxo-Car markedly inhibited the protein and DNA degradation by ClO− and ONOO− compared with IDPs. Moreover, 2-oxo-Car was not cytotoxic, even at high concentrations, and suppressed pyocyanin-induced ROS generation in C2C12 cells compared with IDPs and glutathione. Overall, 2-oxo-IDPs are effective antioxidants and are equivalent or superior to known water-soluble antioxidants, such as glutathione and vitamin C.

AppliedChem doi: 10.3390/appliedchem6010014

Authors: Petra Matić Vanessa Sačić Lidija Jakobek

The positive effects of phenolic compounds in the gastrointestinal tract are influenced by dietary fibers. The aim of this work was to study the interactions between syringic acid and soluble and insoluble dietary fibers from the β-glucan group, including laminarin from Laminaria digitata, zymosan A from Saccharomyces cerevisiae and β-glucan from Euglena gracilis. Kinetic models of the pseudo-first and pseudo-second order were applied to describe the interactions in time. The stability of the complexes between syringic acid and dietary fibers was monitored at different times by the DPPH method. The water holding capacity, water swelling capacity and water solubility of dietary fibers were determined. FTIR spectra were recorded to characterize the possible binding of syringic acid and dietary fibers. The results showed that syringic acid adsorbed onto dietary fibers with different adsorption capacities. The highest adsorption capacity was observed for zymosan A (431 mg g−1), followed by laminarin (382 mg g−1) and β-glucan from Euglena gracilis (336 mg g−1). The parameters of the kinetic models showed good agreement with the experimental data. The highest antiradical activity was found for the complex of syringic acid—β-glucan from Euglena gracilis. The FTIR spectrum confirmed the bonding of syringic acid onto dietary fibers. The interactions of polyphenols and dietary fibers are important to understand the role of dietary fibers as carriers of polyphenols.

AppliedChem doi: 10.3390/appliedchem6010013

Authors: Andrea Celeste Medrano Chris Holleyman Paola A. Prada-Tiedemann

Human remains detection (HRD) canines are a class of odor detection canines trained with training aids representative of distinctive stages of putrefaction. This is necessary for canines to detect the whole spectrum of decomposition products, which is encountered in operational deployments. Understanding the definition of the cadaveric profile can help better train canine detection teams and assist with technological developments. This study aimed to (1) monitor chemical odor profiles utilizing two containment vessels, and (2) monitor two preservation methods on chemical odor profile changes as a function of freezing to thawing cycles. Instrumental analysis used solid phase microextraction- gas chromatography/mass spectrometry (SPME-GC/MS) for identification of volatile organic compounds (VOCs) from tissue/bone samples of pig carcasses at various decomposition stages. Samples were analyzed weekly for six (6) weeks to monitor chemical odor profiles as a function of time. Clear vials provided slightly better storage stability for the fresh stage compared to amber vials. However, amber vials were more suitable for the advanced decay and skeletal stages, helping to preserve the chemical odor profile. Regarding the preservation methods, a continuous preservation method portrayed better reproducibility of the original odor profile throughout the 6-week period, as depicted from higher Spearman correlation values. This study is the first to explore simulated training aids under freezing conditions, uncovering the dynamic and complex nature of odor over time. The results highlight that understanding these shifting odor profiles is essential for canine handlers aiming to optimize the realism and effectiveness of maintenance training.

AppliedChem doi: 10.3390/appliedchem6010012

Authors: Borislav Barbov Hristina Lazarova Liliya Tsvetanova Aleksandar Nikolov

This study explores a sustainable synthesis route for FAU-type zeolite X using acid-treated ladle slag as a silicon source and waste aluminum cans as an alternative aluminum precursor. Conventional zeolite synthesis relies on high-purity reagents, which are costly and environmentally intensive to produce. Previous research has rarely addressed the valorization of ladle slag and metallic aluminum waste for zeolite formation, leaving their potential largely unexplored. The study focuses on the effective utilization of industrial and post-consumer wastes—acid-treated ladle slag and aluminum cans—as precursors for FAU-type NaX zeolite, demonstrating their feasibility as alternative silicon and aluminum sources. Here, zeolite X was synthesized hydrothermally from treated slag combined with either dissolved aluminum cans and commercial sodium aluminate at 90 °C for 6 h. FAU-type zeolite X was successfully synthesized using both aluminum sources, with a SiO2/Al2O3 ratio of approximately 1.4. The results demonstrate that waste-derived precursors can effectively replace conventional chemicals, yielding predominantly NaX zeolite with high crystallinity and minor NaA impurity (as observed by XRD), with experimental yields of 1.47 g for aluminum cans and 1.266 g for sodium aluminate. The obtained zeolite X samples were structurally and texturally characterized by XRD, FTIR, XRF, BET surface area analysis, and thermogravimetric analysis (TG).

AppliedChem doi: 10.3390/appliedchem6010011

Authors: Kateřina Hájková Josef Bárta Tomáš Holeček Michaela Filipi Jiří Synek

This research investigates the potential of secondary lavender biomass (Lavandula officinalis) as a raw material for paper production within the context of the circular economy and its practical applications. Lavender stems, a by-product of essential oil extraction, were processed using the nitrate–alkali pulping method. The chemical composition of the raw material was analysed according to TAPPI standards, and the resulting pulp was characterised in terms of its mechanical and physical properties, including tensile strength and air permeability. Lavender stems contained 29.43% cellulose and 24.10% lignin, indicating moderate delignification efficiency under the applied conditions. The pulp yield was 24.2% with a Kappa number of 15.9. Of the prepared sheets, the paper with a weight of 80 g·m−2 showed the best mechanical properties, with a breaking length of 1.71 km and a tensile strength index of 16.76 N·m·g−1. In addition, lavender-based paper demonstrated measurable repellent activity against Tineola bisselliella, reducing insect presence by 70% compared to control samples, as determined by controlled laboratory exposure tests. This bioactivity is attributed to residual volatile compounds such as linalool and linalyl acetate, originating from lavender biomass. Overall, lavender secondary biomass represents a promising non-wood fibre for the production of biodegradable, functional paper materials that combine structural integrity with natural repellent properties.

AppliedChem doi: 10.3390/appliedchem6010010

Authors: Tea Bilušić Zoran Zorić Ivana Šola Zvonimir Marijanović Marita Hvizdak Kristijan Čalić Ivana Bočina Zdenka Pelaić Danica Sinovčić Marija Ćosić

This study investigated the influence of drying techniques such as convection hot-air drying, vacuum drying, and freeze drying with slow and flash pre-freezing on the total phenolic content and the profile of dominant phenolic compounds in cultivated blueberry (Vaccinium corymbosum L.). Although fresh blueberries exhibited higher total phenolic content (1350.85 mg GAE/100 g), total flavonol glycosides (66.20 mg/100 g), and total anthocyanins (218.23 mg/100 g) compared with dried samples, freeze-dried samples, particularly those subjected to flash pre-freezing, retained higher contents of these components in the dried material compared to other drying techniques. This could be attributed to the microstructural preservation of plant tissue during freeze drying. Furthermore, the study demonstrated that subsequent milling of freeze-dried samples, whether using a knife mill or a ball mill, also affects the availability of bioactive compounds in freeze-dried blueberry powders. The combination of flash pre-freezing followed by ball milling yielded the highest availability of bioactive components in the processed blueberry powder.

AppliedChem doi: 10.3390/appliedchem6010009

Authors: Bimo Tri Goutomo Seong Yeop Han Dian Majid Il-Kyu Kim

Acid violet 19 (AV19) dye is used in many fields, including photographic film, inks, leather, and textiles. Potassium ferrate (VI) (Fe(VI)) represents a novel oxidant, notable for its strong oxidative capabilities, stability, and environmental sustainability. This research investigates the decolorization and mineralization of AV19 through the application of Fe(VI), with a particular emphasis on essential parameters, including pH, molar ratios, and temperature variations. The study ascertained that the optimal conditions for AV19 oxidation are a pH of 7.0, a molar ratio of AV19: Fe(VI) of 1:5, and a temperature of 45 °C with a reaction time of 12 min. The decolorization efficiency achieved was approximately 98%, and the mineralization was 31%. The degradation process yielded intermediates, such as sulfonic acid derivatives, benzoic acid, benzene, and cyclohexane compounds, which were further oxidized into acetic acid, carbon dioxide, and water. Comprehensive computational toxicity evaluations confirmed that both the intermediates and the final products are non-toxic.

AppliedChem doi: 10.3390/appliedchem6010008

Authors: Iresha Lakmali Balasooriya Mudalige Don Hiranya Jayasanka Senavirathna

Geosmin contamination in water is a worldwide concern, owing to its strong odor at trace levels and limited removal by typical water treatment methods. In this study, bentonite–alginate–magnetic (Bent-alg-mag) beads were prepared using the ionic gelation method for the removal of geosmin from aqueous solutions. The adsorbent’s physicochemical properties were characterized by scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy and X-ray diffraction (XRD) analysis. The influence of factors such as contact time, solution pH, initial geosmin concentration, and adsorbent dosage on adsorption performance was systematically investigated. Under optimal conditions, over 96% of geosmin was removed within 480 min. The adsorption kinetics were best described by the pseudo-first-order model (R2 = 0.9918), indicating that the process is primarily controlled by surface adsorption. Adsorption equilibrium data were well fitted by the Langmuir isotherm model (R2 = 0.9705) and a maximum monolayer capacity of 16.064 ng/g. The adsorbent exhibited 70% removal efficiency after three adsorption–desorption cycles, showing good regeneration potential, though long-term stability may be limited. Overall, the Bent-alg-mag beads proved to be an effective and promising material for the removal of geosmin from water.

AppliedChem doi: 10.3390/appliedchem6010007

Authors: Luis Alamo-Nole Cristhian Castro-Cedeño

The increasing presence of pharmaceutical residues such as ibuprofen in aquatic environments represents a growing concern due to their persistence and limited biodegradability. In this study, selenium-doped tin oxide (SnO2:Se) nanoparticles covered with glycerol were synthesized via a microwave-assisted method to evaluate their photocatalytic performance in the degradation of ibuprofen under ultraviolet (UV) and visible light. Optimal synthesis parameters were determined at pH 7.5–8.0 and 130 °C, yielding stable, dark-brown colloidal suspensions. HRTEM analysis revealed a coexistence of one-dimensional (1D) nanowires and zero-dimensional (0D) quantum dots, confirming nanoscale morphology with crystallite sizes between 8 and 100 nm. EDS analysis confirmed the presence of Sn, O, and trace Se (0.1 wt%), indicating Se incorporation as a dopant. UV–Vis spectroscopy showed strong absorption near 324 nm and slight band-gap narrowing in the Se-doped samples, suggesting enhanced visible-light responsiveness. Photocatalytic experiments demonstrated an ibuprofen degradation efficiency of ~60% under visible light and 80% under UV irradiation with aeration, compared to only 5% removal using commercial SnO2. The enhanced performance was attributed to Se-induced band-gap modulation, effective charge-carrier separation, and singlet oxygen generation.

AppliedChem doi: 10.3390/appliedchem6010006

Authors: Onejda Kyçyk Angjelina Vuksani Gjoke Vuksani Florina Pazari Tokli Thomaj

This study examined the influence of short-term olive fruit storage on the quality of virgin olive oil (VOO) from three cultivars (‘Kalinjot’, ‘Leccino’, and ‘Frantoio’) grown in southwest Albania. Olive fruits were processed immediately after harvest, or after 10 days of storage under ambient conditions (20–22 °C) and refrigeration (5 °C). Oils were evaluated for physicochemical quality parameters (free acidity, peroxide value, and UV absorption indices), as well as bioactive and sensory-related compounds (bitterness index, chlorophylls, carotenoids, and total phenolic content). Results showed that immediate processing yielded the highest quality oils, with low free acidity (0.28–0.35%) and preserved bioactive compounds. Ambient storage led to marked deterioration, including significant increases in free acidity and peroxide values, loss of pigments, and 20–70% reduction in phenolic content, accompanied by decreased bitterness. In contrast, cold storage mitigated these effects, maintaining values closer to baseline and preserving sensory and functional attributes. ANOVA confirmed significant effects of storage duration, temperature, and cultivar on most parameters, with ‘Kalinjot’ exhibiting greater stability compared to ‘Frantoio’ and ‘Lecino’. These findings highlight that minimizing the interval between harvest and milling is critical for ensuring oil quality, while refrigerated storage offers a practical strategy to safeguard chemical and sensory characteristics when immediate processing is not feasible.

AppliedChem doi: 10.3390/appliedchem6010005

Authors: Robert J. Meier Paul R. Rablen

In this paper we provide the Group Contribution parameters for acetylenes and aromatic nitro compounds fitting with a recently developed Group Contribution method with chemical accuracy (1 kcal/mol) for the heat of formation of organics. These additional parameters widen the applicability of the Group Contribution method. We also provide further G4 quantum calculated values as reference when no experimental data are available and compare to previously reported G4 data.

AppliedChem doi: 10.3390/appliedchem6010004

Authors: Ginka Antova Tsvetelina Stoilova Petar Chavdarov

Seeds from four landraces of dry beans (Phaseolus vulgaris L. and Phaseolus coccineus L.) from the National Collection of Bulgaria were analyzed for their chemical and lipid composition. The chemical analysis revealed that protein ranged from 24.4% to 31.5%, carbohydrates from 53.1% to 56.1%, fat from 0.9% to 1.4%, fiber from 2.6% to 2.8%, and ash from 3.9% to 4.7%, indicating their high nutritional and caloric value. The seed oils contained significant levels of bioactive compounds, including tocopherols (3483–3809 mg/kg), carotenoids (1664–2049 mg/kg), and phospholipids (24.6–62.2%), which contribute to their health-promoting properties. In the Phaseolus vulgaris accessions, the oil was primarily composed of linolenic (n-3) and linoleic acids (n-6), followed by palmitic and oleic acids, whereas in the Phaseolus coccineus accession, linoleic acid (n-6) predominated, followed by linolenic (n-3) acid. β-Sitosterol was the major sterol, followed by stigmasterol, while the tocopherol fraction was mainly composed of γ-tocopherol (88.2–95.0%), with δ-tocopherol as a secondary component. Phosphatidylcholine was the predominant phospholipid, accounting for 33.1–51.7%. These findings underscore the potential of Bulgarian bean landraces as functional ingredients in health-oriented food products due to their balanced nutritional profile and presence of bioactive lipids.

AppliedChem doi: 10.3390/appliedchem6010003

Authors: Carmo Serrano Violeta Lopes Octávio Serra Carlos Gaspar Ana Maria Barata Andreia Soares M. Conceição Oliveira

This study assessed the phenolic content, antioxidant capacity, and phytochemical composition of methanolic extracts from Portuguese Mentha pulegium L. and Lavandula stoechas L. Through spectrophotometric methods (TPC, FRAP, and DPPH), high-resolution techniques (HPLC-ESI(-)-HRMS/MS), along with multivariate techniques (PCA and cluster analysis). A total of 24 to 26 metabolites were identified across the analyzed plant species, including flavonoids, phenolic acids, terpenoids, jasmonates, and fatty acids. M. pulegium was primarily composed of diosmin and hesperidin, whereas L. stoechas exhibited amounts of rosmarinic acid and associated phenolic compounds. Multivariate and correlation analyses demonstrated variability within species and emphasized connections among metabolite categories, biosynthetic routes and environmental influences like altitude. Inland accessions of M. pulegium from Beja, Portalegre and Évora showed elevated TPC and FRAP levels while DPPH activity fluctuated according to distinct metabolite profiles. Despite these variations, phytochemical diversity did not adhere to a geographic trend, indicating that genetic and biosynthetic elements are more influential. The interplay between flavonoids and phenolic acids seemed crucial in determining antioxidant activity. Overall, the Portuguese germplasm of both species demonstrates substantial bioactive potential and chemical diversity, underscoring its value for food, nutraceutical, and pharmaceutical applications. These findings provide a scientific basis for selecting promising accessions and developing future biotechnological strategies.

AppliedChem doi: 10.3390/appliedchem6010002

Authors: Liudmyla Gryshchuk Sergiy Grishchuk Gregor Grun Wael Almustafa

Considering the high demand for efficient chemical recycling and reusability of polyurethane foams (PUFs), combined microwave-assisted solvolysis routes have been applied to a widely used commercial PUF for pipe pre-insulation, and the reusability of as-received recycled products in the original formulation was studied. The influence of the type and amount of recyclate on the main foaming parameters, shrinkage behavior, density, compression properties, morphology, thermal stability, and humidity uptake was determined. Based on shrinkage as the main exclusion criterion, recycling products of two routes have been evaluated as suitable for reuse in the original formulation without any purification or fractionation. However, a maximum of 5 wt.% of the original polyol compound could be replaced by these recycled products to fulfill the requirement of ≤5% shrinkage, which also resulted in foam performance that is well acceptable for use in pre-insulated pipes. The most beneficial property profiles were achieved by replacing 3 wt.% of the original polyol component.

AppliedChem doi: 10.3390/appliedchem6010001

Authors: David J. Machate Teresinha Gonçalves da Silva António B. Mapossa Maria A. M. Maciel

This study introduces an optimized and selective extraction methodology using dichloromethane/methanol (DCM/MeOH, 95:5, v/v) in combination with accelerated solvent extraction (ASE) for the targeted stilbenoid and phenanthrene derivatives from five orchid species: Cattleya nobilior (root), Cymbidium defoliatum (root and bulb), Dendrobium phalaenopsis (stem), Encyclia linearifolioides (leaf), and Phalaenopsis aphrodite (root). Sequential extraction was performed with hexane, followed by DCM/MeOH (95:5 and 1:1, v/v) under controlled temperatures (70 °C for hexane, 100 °C for DCM/MeOH), using three static cycles per stage. Chemical profiling by high-performance liquid chromatography with a diode-array-detector and tandem mass spectrometry (HPLC-DAD-MS/MS) enabled the identification of twenty specialized metabolites—seven stilbenoids and thirteen phenanthrenes—several reported here for the first time, including crepidatuol B, dendrosinen D, and coeloginanthridin. The analytical method showed excellent separation of structurally related phenolic compounds, demonstrating the efficiency of the extraction protocol and the selectivity of the solvent system. Many of the identification metabolites are known for cytotoxic, antioxidant, anti-inflammatory, and metabolic regulatory properties, while newly detected compounds remain unexplored and present promising candidates for future biological evaluation. The broad distribution of these metabolites across the studied orchids enhances the current understanding of their phytochemical diversity and suggests chemotaxonomic relevance within the Orchidaceae family. Importantly, the extraction strategy requires minimal plant material, offering ecological advantages when working with rare or endangered species. Overall, this environmentally conscious extraction approach provides a robust platform for metabolic discovery and supports future research in natural products chemistry, plant ecology, drug discovery, structure–activity relationships studies and biotechnological applications.

AppliedChem doi: 10.3390/appliedchem5040040

Authors: Tabea Lenz Marian Hebenbrock

To develop a modifier based on diethanolamine, a corresponding phosphoramidite for automated solid-phase deoxyribonucleic acid synthesis was synthesized. The influence of this modifier on the thermal stability of the terminally modified nucleic acids showed a dependence on the neighboring nucleobases and could be attributed to the fraying of the DNA ends. The potential for modification with dioxazaborocanes was first investigated using a small molecule model, and the formation of the dioxazaborocane was confirmed both in solution and in the solid state. Such a modification could expand the scope of xenonucleic acids in the future and modulate the properties of nucleic acids in solution. The influence on the thermal stability of the modified nucleic acids was minimal. In the future, this modification will be extended to internal incorporation and the potential of dioxazaborocanes in the nucleic acid context will be further exploited.

AppliedChem doi: 10.3390/appliedchem5040039

Authors: Lusani Norah Vhangani Jessy Van Wyk

Heat processing in fruit and fruit-based food products is aimed at producing nutritious, shelf-stable, and consumer- appealing food products. However, the processing and prolonged storage conditions employed favour non-enzymatic browning (NEB) reactions. Recent research is aimed at finding natural products to inhibit deleterious food reactions, with NEB being one of them. This review discusses the role of plant extracts in inhibiting NEB reactions during the processing and storage of fruit and fruit-based products. The review follows a traditional narrative approach, where approximately 100 articles were reviewed by summarising the role of vegetables, fruits, and fruit-based products in the diet, followed by the chemical reactions taking place during processing and storage, with emphasis on the pathways of three types of NEB reactions. We evaluate the prevention of NEB reactions using plant and plant extracts with a focus on the inhibitory mechanisms, as well as limitations, thereof. Encapsulation was also discussed as a possible intervention for the limitations posed by plant extracts.

AppliedChem doi: 10.3390/appliedchem5040038

Authors: Verónica Cascante-Alvarado Ernesto de la Torre Carlos F. Aragón-Tobar

Optimizing copper recovery from sulfide minerals such as chalcopyrite, which constitutes over 70% of global copper reserves, is essential due to the depletion of conventional copper oxide resources. This study aimed to establish optimal ferric leaching conditions for a chalcopyrite-rich concentrate to maximize copper recovery and to evaluate the regeneration of the oxidizing potential in the residual leaching solution for reuse. Ferric sulfate (Fe2(SO4)3), as a ferric ion (Fe3+) carrier, was used as oxidizing agents at a concentration of [0.1 M] in sulfuric acid ([0.5 M] H2SO4), using a CuFeS2 concentrate (75% chalcopyrite) leached over 80 h. Copper was recovered through cementation with metallic iron, while the residual leaching solution, containing ferrous ions, was analyzed to determine total iron content via atomic absorption spectroscopy and to assess the presence of ferrous ions through KMnO4 titration. This step was crucial, as an excess of ferrous ions would indicate a loss of oxidizing potential of the ferric ion (Fe3+). Catalytic oxidation was conducted with microporous activated carbon (30 g/L) to regenerate Fe3+ for a second leaching cycle, achieving 90.7% Fe2+ oxidation. Optimal leaching conditions resulted in 95% soluble copper recovery at 1% solids, d80: 74 μm, pH < 2, Eh > 450 mV, 92 °C, [0.5 M] H2SO4, and [0.1 M] Fe2(SO4)3. In the second cycle, the regenerated solution reached 75% copper recovery. These findings highlight temperature as a critical factor for copper recovery and demonstrate catalytic oxidation as a viable method for regenerating ferric solutions in industrial applications.

AppliedChem doi: 10.3390/appliedchem5040037

Authors: Koichi Shikama Jun Takayama Meiyan Xuan Hirokazu Matsuzaki Bo Yuan Hiroyuki Teramae Mari Okazaki Takeshi Sakamoto

Ferulic acid (FA) is well known for its antioxidant properties and neuroprotective effects. To enhance these biological activities, we designed a novel series of FA derivatives by introducing a phenyl group at the α-position of the carboxyl moiety. Further structural modifications were achieved by incorporating hydroxy or alkoxy substituents at various positions on the two aromatic rings. A series of these derivatives were synthesized and evaluated for their antioxidant capacity using the DPPH radical scavenging assay, as well as their cytoprotective effects against oxidative stress in Neuro-2a cells. Among the synthesized compounds, one derivative exhibited significantly enhanced activity in both assays. Mechanistic studies indicated that this heightened efficacy is attributable to a unique reaction pathway involving dual antioxidant mechanisms.

AppliedChem doi: 10.3390/appliedchem5040036

Authors: Taelor M. Zarkovic Lucas R. Abruzzi Collin Kielty Bruce Wallace Dennis K. Hore Chris G. Gill

Harm reduction drug checking utilizing paper spray mass spectrometry (PS-MS) has been the focus of ongoing research since 2017 and has seen many refinements. The presented work is the result of this research and has led to the public-facing PS-MS use for on-site drug checking in Victoria, BC. Included are the improved methods and approaches required to develop and implement PS-MS as an on-site drug checking technology. Critical details regarding appropriate direct mass spectrometry tune and calibration suites required to avoid isobaric interferences, calibration details, quality control strategies, detailed MS scan approaches to implement rapid drug tests, as well as future work considerations are presented. The PS-MS method presented currently directly quantifies 107 targeted drugs in a two-minute measurement, and can be easily adapted to include additional new targets that appear in the unregulated drug supply that are detected by either low or high resolution PS-MS. The presented methodologies provide a framework to assist those interested in implementing PS-MS to reduce harms from the toxic drug supply, but will have value for those developing rapid, quantitative drug testing for other applications.

AppliedChem doi: 10.3390/appliedchem5040035

Authors: Navid J. Ayon

Proteins are essential biological macromolecules that play key regulatory roles in all biological processes. Abnormalities in these processes are often reflected in proteins, manifesting as changes in their structure, sequence, folding state, stoichiometry, or spatial and temporal distribution. Proteins serve as biological targets for drugs and other therapeutics and can also function as therapeutic agents to restore normal biological functions by treating diseases. Hence, it is essential to study native protein species, their modifications, higher-order structures, and complexes, which can be extremely difficult due to the challenges in preserving their native conditions and the instrumental capability required for such analysis. High-resolution mass spectrometry (HRMS) instruments provide advanced technical capabilities to study intact protein species from their gas phase ions after the protein solution is sprayed into the mass spectrometers. However, there are debates about the gas-phase protein structures obtained through mass spectrometry and the resemblance to their biological native state. This review discusses various techniques for isolating, separating, and enriching intact protein species for their native mass spectrometry (nMS) analysis. Emerging technologies, such as automated sample preparation, ion mobility spectrometry, and ambient surface mass spectrometry, are briefly discussed. This review aims to serve as a general guideline for beginners, primarily focusing on the preanalytical strategies and critical instrument parameters for nMS analysis of intact proteins, proteoforms, protein complexes, and higher-order structures.

AppliedChem doi: 10.3390/appliedchem5040034

Authors: Leandro Goulart de Araujo Tania Regina de Borba Rafael Luan Sehn Canevesi Sabine Neusatz Guilhen Edson Antonio da Silva Júlio Takehiro Marumo

This study explores, for the first time, the bioaccumulation of americium-241 (241Am) by Cupriavidus metallidurans and Ochrobactrum anthropi, two bacterial strains previously investigated mainly for their interactions with other heavy metals and radionuclides. To the best of our knowledge, no prior studies have reported the use of these microorganisms for 241Am removal from aqueous solutions. The effects of initial 241Am concentration and solution pH on removal performance were evaluated through batch experiments. Kinetic analyses were performed using pseudo-first-order (PFO) and pseudo-second-order (PSO) models, with the PSO model providing a better fit, suggesting chemisorption as the rate-limiting step in the process. Initial 241Am concentrations ranged from 75 to 300 Bq mL−1, and both bacterial strains demonstrated comparable maximum bioaccumulation capacities of approximately 1.5 × 10−8 mmol g−1. However, O. anthropi exhibited superior resistance to 241Am, maintaining colony growth at activity levels up to 1200 Bq mL−1, compared to a threshold of 400 Bq mL−1 for C. metallidurans. These findings highlight the robustness and efficiency of these bacterial strains—particularly O. anthropic—in removing 241Am from liquid radioactive waste, offering promising implications for bioremediation technologies.

AppliedChem doi: 10.3390/appliedchem5040033

Authors: Leah Jalowy Henry Lehmann Patrick Rassek Olga Fromm Marc Entenmann Dominik Nemec

Lithium-ion batteries (LIBs) are vital for modern energy storage applications. Lithium iron phosphate (LFP) is a promising cathode material due to its safety, low cost, and environmental friendliness compared to the widely used nickel manganese cobalt oxide (NMC), which contains hazardous nickel and cobalt compounds. However, challenges remain in enhancing the performance of LFP cathodes due to their low electronic and ionic conductivity. To improve both the safety and sustainability of the battery, this work presents a water-based LFP cathode utilizing the bio-based binder carboxymethyl cellulose (CMC), eliminating the need for polyvinylidene fluoride (PVDF) and the toxic solvent N-methyl-2-pyrrolidone (NMP). This study investigates the impact of different dispersing methods—dissolver mixing and wet jet milling—on slurry properties, electrode morphology, and battery performance. Slurries were characterized by rheology, particle size distribution, and sedimentation behavior, while coated and calendered electrodes were examined via thickness measurements and scanning electron microscopy (SEM). Electrochemical performance of the electrodes was evaluated by means of C-Rate testing. The results reveal that dispersing methods significantly influence slurry characteristics but marginally affect electrochemical performance. Compared to dissolver mixing, wet jet milling reduced the median particle size by 39% (ΔD50 = 3.1 µm) and lowered viscosity by 96% at 1 s−1, 80% at 105 s−1, and 64% at 1000 s−1. In contrast, the electrochemical performance of the resulting electrodes differed only slightly, with discharge capacity varying by approximately 12.8% at 1.0 C (Δcapacity = 10.7 mAh g−1). This research highlights the importance of optimizing not only material selection but also processing techniques to advance safer and more sustainable energy storage solutions.

AppliedChem doi: 10.3390/appliedchem5040032

Authors: Iresha Lakmali Balasooriya Mudalige Don Hiranya Jayasanka Senavirathna Weiqian Wang

The presence of 2-methylisoborneol (2-MIB) in water is a critical global concern due to its low threshold and resistance to conventional processes. In the present study, activated carbon/alginate (AC/alginate) composite beads were synthesized via ionic gelation method for the removal of 2-MIB from aqueous solution. The physicochemical characteristics of the adsorbent were determined using scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR) techniques. The effects of contact time, solution pH, initial 2-MIB concentration and adsorbent dose on adsorption were examined. Over 95% of 2-MIB removal was obtained under optimum conditions within 360 min. The adsorption equilibrium was well described by Langmuir (R2 = 0.97) and Freundlich (R2 = 0.96) models suggesting that 2-MIB adsorption involves both monolayer and multilayer adsorption. Kinetic modeling revealed that the pseudo-first order model showed strong fits to the experimental data, indicating the role of surface adsorption in controlling the rate of adsorption. The adsorbent demonstrated reasonable stability, retaining 59% removal efficiency after four adsorption–desorption cycles, highlighting its potential for repeated application in water treatment. Overall, the AC/alginate composite beads were found to be promising for the effective elimination of 2-MIB from water.

AppliedChem doi: 10.3390/appliedchem5040031

Authors: Gerardas Laurinavicius Dovydas Karoblis Vilius Poskus

In today’s chemistry, greener and more energy-efficient ways of making new materials are becoming increasingly important. In this work, two types of (3-aminopropyl) triethoxysilane-grafted silica were synthesized using a one-pot method with two different porogens: Pluronic P123 and cetyltrimethylammonium bromide, and then modified with silver nanoparticles. Both syntheses produced amorphous silica with crystalline silver. EDX and EDX elemental mapping confirmed that the modification with silver nanoparticles was successful, and an even distribution of silver on the silica surface with an average silver load of around 16% was determined. After silver nanoparticle modification, silica synthesized using cetyltrimethylammonium bromide as a porogen was mesoporous, whereas silica synthesis using Pluronic P123 as a porogen yielded a nonporous product. The synthesized silicas exhibited surface areas of 345 ± 2 and 8.80 ± 0.05 m2/g for samples prepared using cetyltrimethylammonium bromide and Pluronic P123 as porogens, respectively, and both silicas were stable below 250 °C.

AppliedChem doi: 10.3390/appliedchem5040030

Authors: Yevhen Pruhlo Ivan Iurchenko Alina Tomenko

Type 2 diabetes mellitus (T2DM) is a growing global health challenge, expected to affect over 600 million people by 2045. The discovery of new antidiabetic agents remains resource-intensive, motivating the use of machine learning (ML) for virtual screening based on molecular structure. In this study, we developed a predictive pipeline integrating two distinct descriptor types: high-dimensional numerical features from the Mordred library (>1800 2D/3D descriptors) and categorical ontological annotations from the ClassyFire and ChEBI systems. These encode hierarchical chemical classifications and functional group labels. The dataset included 45 active compounds and thousands of inactive molecules, depending on the descriptor system. To address class imbalance, we applied SMOTE and created balanced training and test sets while preserving independent validation sets. Thirteen ML models—including regression, SVM, naive Bayes, decision trees, ensemble methods, and others—were trained using stratified 12-fold cross-validation and evaluated across training, test, and validation. Ridge Regression showed the best generalization (MCC = 0.814), with Gradient Boosting following (MCC = 0.570). Feature importance analysis highlighted the complementary nature of the descriptors: Ridge Regression emphasized ClassyFire taxonomies such as CHEMONTID:0000229 and CHEBI:35622, while Mordred-based models (e.g., Random Forest) prioritized structural and electronic features like MAXsssCH and ETA_dEpsilon_D. This study is the first to systematically integrate and compare structural and ontological descriptors for antidiabetic compound prediction. The framework offers a scalable and interpretable approach to virtual screening and can be extended to other therapeutic domains to accelerate early-stage drug discovery.

AppliedChem doi: 10.3390/appliedchem5040029

Authors: Ani Radonić Lucia Šarić Zvonimir Marijanović Mladenka Šarolić

“Lumblija” is a Croatian autochthonous sweet bread which recently obtained a European Protected Geographical Indication (PGI) label. The peculiarity of “Lumblija” is the use of ingredients such as concentrated grape must, rose or herbal brandy, and various herbs and spices, mostly produced and collected in the area of the island of Korčula. To the author’s knowledge, the volatile compounds of “Lumblija” have not been investigated till now. The aim of this study was to characterise the volatile compounds responsible for the distinctive aroma of the traditional sweet bread “Lumblija”, which is widely appreciated for its unique sensory properties. Four samples of “Lumblija” were investigated. Headspace solid-phase microextraction coupled with gas chromatography–mass spectrometry analysis (HS-SPME/GC-MS) was applied for volatile compound characterisation of “Lumblija” samples. A total of 50 volatile compounds were identified in the “Lumblija” samples. Volatile compounds belong to different chemical classes: terpenes, phenylpropanoids, alcohols, aldehydes, esters, ketones, aromatic hydrocarbons, and carboxylic acids. Among them, terpenes and phenylpropanoids were the most numerous and the most abundant volatile compounds. Most differences in the volatile compound profile of “Lumblija” samples can be attributed to some specific ingredients such as spices. The results of this study could be useful to establish a volatile compound profile of “Lumblija”, which could serve as an indicator of the authenticity and quality of this autochthonous bakery product.

AppliedChem doi: 10.3390/appliedchem5040028

Authors: Nilubon Sornkaew Piyanan Thuamwong Apisit Anantanasan Kornkanya Pratumyot Siwattra Choodej Kittichai Chaiseeda Choladda Srisuwannaket Withawat Mingvanish Nakorn Niamnont

Electrospun fibers serve as a medium for the targeted release of active compounds, facilitating the desired therapeutic effects in drug administration. The point of this study was to find the best conditions for making electrospun fibers from cellulose acetate (CA) and poly(ε-caprolactone) (PCL), mixed with pure oxyresveratrol extract from Artrocarpus lakoocha Roxberg (Moraceae). Additionally, the study focused on evaluating the antioxidant properties, antityrosinase activity, and freeze–thaw stability of the resulting fibers. We incorporated a concentration of oxyresveratrol at 0.1% w/w into various mass ratios of CA/PCL blended fiber sheets (1:0, 3:1, 1:1, 1:3), utilizing mixed solvents of acetone/DMF (2:1% v/v) and chloroform/DMF (9:1% v/v) for preparation. The fiber sheets displayed a continuous and uniform structure, with fiber diameters ranging from 300 to 1000 nanometers. We investigated the release kinetics of oxyresveratrol from the fibrous substrates using the total immersion technique, specifically in phosphate-buffered saline at a pH of 7.4. The results showed that the fiber sheet with a 3:1 w/w ratio of CA to PCL and a 0.1 w/w loading of oxyresveratrol showed the most significant release of oxyresveratrol at the 2 h mark, and it continued to release consistently at this peak value for up to 24 h. The antioxidant and anti-tyrosinase properties of oxyresveratrol in fiber sheets were more stable than those of free oxyresveratrol at the same concentrations. The fiber sheet presents a promising avenue for a user-friendly transdermal patch application.

AppliedChem doi: 10.3390/appliedchem5040027

Authors: Evangelos Beris Markos Psarros Vasiliki Konstantakopoulou Alexandra Evangelou Georgios Banilas Elias Korkas

This study examined the impact of five grapevine rootstocks (R110, 140Ru, 3309C, 41B, and FERCAL) on must composition, nitrogen status, and sensory attributes of Vitis vinifera L. cv. Assyrtiko wines. Vines were grown under uniform vineyard conditions, and microvinifications were conducted consistently across treatments. Rootstock genotype significantly influenced Baumé, density, titratable acidity, pH, and yeast-assimilable nitrogen (YAN). Musts from R110 contained the highest YAN (226.80 ± 0.99 mg/L) and intermediate Baumé (12.5°), whereas 140Ru exhibited the lowest YAN (132.60 ± 0.46 mg/L) and Baumé (11.7°). Wines from R110 contained the highest tannin concentration (0.375 g/L), while FERCAL produced the highest ethanol content (13.1% vol). Sensory evaluation revealed significant rootstock effects on color intensity, aroma intensity, aroma complexity, balance, and overall quality, with R110 and 3309C receiving the highest scores. The findings demonstrate that rootstock selection may affect the chemical and sensory profile of Assyrtiko wines, providing a practical tool for optimizing wine style and quality across diverse viticultural environments. Further research is needed to confirm these findings and explore extra parameters and novel rootstock–scion interactions.

AppliedChem doi: 10.3390/appliedchem5040026

Authors: Michele Larocca Giuseppe Floresta Daniele Verderese Agostino Cilibrizzi

The genetic material in living systems is mainly stored in DNA molecules, which in turn play a dominant biological role in relation to the coding and transfer of genetic information, the biosynthesis of proteins and RNA and the packaging and regulation of DNA expression and accessibility. These features, strictly dictated by the three-dimensional structure of DNA, are governed by non-covalent chemical interactions that drive the folding process of these biological macromolecules. The Main Mechanical Forces (MMFs) approach is a recently formulated calculation method, based on the accurate prediction of structural features of biomolecules through an in-depth assessment of the interplay between specific non-covalent chemical interactions and related mechanical forces developed during the folding process. By adopting the MMFs method in the context of nucleic acids, we report here the results obtained in terms of predicting three-dimensional DNA oligomer tertiary structures. To this end, we have developed tailored nucleic acid-specific equations, enabling to predict the torsion angles (with a relevant level of agreement with experimental values) of the phosphate-sugar backbone of the three model molecules A-, B- and Z- DNA used in this study. To increase the validity of this methodology, we have conducted RMSD measurements, indicating that there is a weak but rather acceptable match between the calculated vs. predicted A-DNA structure, whereas the prediction of the BII-DNA and Z-DNA tertiary structures was fully correct.

AppliedChem doi: 10.3390/appliedchem5040025

Authors: Soichiro Kawamorita Mitsuhiro Nishino Ngoc Ha-Thu Le Kazuki Nakamura Takeshi Naota

Hydrogen-bond-like M···H–C interactions in square-planar d8 metal complexes have recently gained attention as structure-directing elements and design motifs in asymmetric catalysis. In this study, we explore these weak interactions not as static features, but as key modulators of molecular motion. We synthesized four cis-[N,N′-pentamethylenebis(iminomethylazolato)]M(II) (M = Pt, Pd), including iminomethyl-2-imidazole, iminomethyl-5-imidazole, and iminomethylpyrrolato Pt(II) complexes and an iminomethylpyrrolato Pd(II) analog. All complexes display reversible flipping of the alkylene bridge across the coordination plane, with the M···H–C interaction alternately engaging from above or below. This dynamic motion was characterized by variable-temperature 1H NMR spectroscopy, revealing activation parameters for the flipping process. X-ray crystallography confirmed geometries consistent with hydrogen-bond-like interactions, while NBO analysis based on DFT calculations provided insight into their electronic nature. Interestingly, although Pt and Pd display comparable M···H–C distances, solvent effects dominate the flipping kinetics over metal identity. These findings highlight the role of hydrogen-bond-like M···H–C interactions not only in structural stabilization, but also in regulating conformational dynamics.

AppliedChem doi: 10.3390/appliedchem5040024

Authors: Dulce Carolina Acosta-Pintor Candy Carranza-Álvarez Habacuc Lorenzo-Márquez Cynthia Wong-Arguelles Cuitláhuac Mojica-Mesinas

Water contamination by heavy metals, particularly lead, derived from industrialization, climate change, and urbanization, represents a critical risk to human health and the environment. Several agricultural biomass residues have demonstrated efficacy as contaminant adsorbents. In this context, the study aimed to evaluate the potential of sugarcane tip (ST) waste biomass treated by hydrothermal carbonization (HTC) to produce hydrochar as an adsorbent material for Pb2+ in aqueous solutions. Samples were synthesized from the waste biomass at temperatures of 180 °C, 215 °C, and 250 °C, with a constant pressure of 6 MPa. Aqueous solutions of Pb2+ were prepared at concentrations of 10, 25, 50, 75, and 100 mg/L. Each solution was stirred at 1 g of hydrochar at 150 rpm, 25 °C, and pH 5 for 15 to 120 min. The solutions were filtered and stored at 4 °C for flame atomic absorption spectrophotometry analysis. In all cases, equilibrium was reached rapidly—within 15 min or less—as indicated by the stabilization of qt values over time. At an initial concentration of 100 mg L−1, the highest equilibrium uptake was observed for the hydrochar synthesized at ST HTC 180 °C (4.90 mg g−1), followed by 4.58 mg g−1 and 4.52 mg g−1 for ST HTC 215 °C and ST HTC 250 °C, respectively. For the ST HTC 180 °C, the Sips model provided the best correlation with the experimental data, exhibiting a high maximum capacity (qmax = 240.8 mg g−1; Ks = 0.007; n = 1.09; R2 = 0.975), which reinforces the heterogeneous nature of the material’s surface. Hydrothermal synthesis increased the amount of acidic active sites in the ST HTC 180 °C material from 1.3950 to 3.8543 meq g−1, which may influence the electrical charge of the Pb2+ adsorption process. HTC-treated sugarcane tip biomass represents a promising alternative for the synthesis of adsorbent materials, contributing to water remediation and promoting the circular economy by sustainably utilizing agricultural waste.

AppliedChem doi: 10.3390/appliedchem5030023

Authors: Kade Sutherland Chance Miller Alexandria Bassett Jacob Cannon Emma Cattron Ella Escobedo Katherine Judge Michael Hanneson Jeremy Johansen Daniel Scott

Myoglobin, a heme protein involved in oxygen storage and transport, also exhibits pseudo-peroxidase activity by catalyzing the breakdown of hydrogen peroxide. While this enzymatic function is well-documented, the potential for substrate inhibition at high hydrogen peroxide concentrations remains underexplored. In this study, we aimed to investigate the kinetic properties of myoglobin’s peroxidase-like activity, focusing on substrate inhibition over time. We employed spectrophotometric assays to monitor reaction rates of myoglobin exposed to increasing hydrogen peroxide concentrations. Our results show that myoglobin activity begins to decline within 3 min of exposure to hydrogen peroxide and reaches full inhibition after approximately 30 min. This progressive inhibition suggests that myoglobin undergoes a delayed inactivation process rather than an immediate loss of function. Additionally, we extended the investigation to hemoglobin, comparing its response to hydrogen peroxide, and preliminary data suggest differences in substrate inhibition dynamics. These findings provide new insights into the regulation of myoglobin’s oxidative function and suggest potential physiological implications for oxidative stress and redox balance, especially in relation to other heme proteins like hemoglobin.

AppliedChem doi: 10.3390/appliedchem5030022

Authors: Christina Gioti Dimitrios K. Papayannis Vasilios S. Melissas

Two different zeolite model clusters were considered in this study to shed light on the release mechanism of a drug, ASA (acetylsalicylic acid), adsorbed on the Y-type zeolite pore walls. Initially, the 3T cluster was employed as a preliminary approach to reveal the trends developed in the acetylsalicylic acid-zeolite system due to the presence of water molecules. Then, the cluster was expanded to 38T (12T:26T), and the adsorption of acetylsalicylic acid in the presence of water molecules inside the pores of the zeolite was studied by employing the hybrid (QM/MM) approximation at the ONIOM2//(HSEH1PBE/6-31+G(d,p):UFF) level of theory. The quantum chemical modeling explicitly shows the water molecules’ impact on the value of the adsorption energy. Specifically, the adsorption energy of acetylsalicylic acid gradually decreases from 32.55 kcal mol−1 (in the case of the 38T model cluster with no H2O molecules) to 22.10 kcal mol−1 in the presence of three water molecules.

AppliedChem doi: 10.3390/appliedchem5030021

Authors: Carolina Froes Forsan Danieli Fernanda Canaver Marin Michel Brienzo

Free radicals are molecules generated during some biochemical processes, and in excess, they can cause various diseases; therefore, their production needs to be controlled in humans. One approach to achieving this is through the consumption of substances with antioxidant capacity, which are capable of neutralizing free radicals. This study evaluated the antioxidant activity of cellooligosaccharides (COS) and xylooligosaccharides (XOS) solutions, extracted from banana leaf and pseudostem, and guava seed cake, unfiltered and filtered using a Sep-pak filter. Additionally, the antioxidant activity of their monomers, including commercial glucose, xylose, and cellobiose, was evaluated using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical assay. Antioxidant activity was observed in the unfiltered COS and XOS solutions, with maximum DPPH radical reduction of 48.3% and 84.2%, respectively. In filtered COS and XOS solutions, the reduction did not exceed 0.5%. It can be concluded that the antioxidant activity is due to the presence of compounds dissolved in the oligosaccharide solutions, such as lignin, extractives and carboxylic acids, which were qualified by the Folin–Ciocalteu method, nuclear magnetic resonance, and scanning spectrophotometry.

AppliedChem doi: 10.3390/appliedchem5030020

Authors: Tatyana Aleksandrova Valentin Kuznetsov Nikita Shlykov

In this work, a set of methods for the study of the physical–chemical properties of flotation processing products was applied to establish parameters for the technological mode of anthropogenic raw material flotation processing using waste paper as an example. The proposed methods include the criterion Ef estimation, which characterizes the interfacial characteristics during flotation, and the criterion J determination, which characterizes the degree of purification of the obtained paper mass. The estimation of criterion Ef is based on the measurement of electric potential difference during flotation. The estimation of criterion J is based on spectrophotometric studies of the flotation product’s optical properties. Based on dispersion analysis, it was established that the proposed criteria are statistically dependent on the variation of the flotation purification mode parameters. The results of the study of flotation processing products show that the criterion Ef is sensitive to the recovery selectivity of dye particles in the froth product. In conjunction with the criterion of optical purity, J, it can be used to assess the effectiveness of proposed solutions of hardware design and the technological mode of flotation separation.

AppliedChem doi: 10.3390/appliedchem5030019

Authors: Olivio Fernandes Galãoa Patrícia Valderrama Luana Caroline de Figueiredo Oscar Oliveira Santos Júnior Alessandro Franscisco Martins Rafael Block Samulewski André Luiz Tessaro Elton Guntendorfer Bonafé Jesui Vergilio Visentainer

Soybean (Glycine max (L.) Merrill) is a major oilseed crop rich in phytosterols and tocopherols, compounds associated with functional and nutritional properties of vegetable oils. This study aimed to apply, for the first time, Independent Component Analysis (ICA) to discriminate the composition of phytosterols (β-sitosterol, campesterol, stigmasterol) and tocopherols (α, β, γ, δ) in 20 soybean genotypes—14 non-transgenic and six transgenic—cultivated in two major producing regions of Paraná state, Brazil (Londrina and Ponta Grossa). Lipophilic compounds were extracted from soybean seeds, quantified via gas chromatography and HPLC, and statistically analyzed using ICA with the JADE algorithm. The extracted independent components successfully differentiated soybean varieties based on phytochemical profiles. Notably, transgenic cultivars from Ponta Grossa exhibited higher levels of total tocopherols, including α- and β-tocopherol, while conventional cultivars from both regions showed elevated phytosterol content, particularly campesterol and stigmasterol. ICA proved to be a powerful unsupervised method for visualizing patterns in complex compositional data. These findings highlight the significant influence of genotype and growing region on the nutraceutical potential of soybean, and support the use of multivariate analysis as a strategic tool for cultivar selection aimed at enhancing functional quality in food applications.

AppliedChem doi: 10.3390/appliedchem5030018

Authors: Jesabel Pineda-Quiroz Juan Alex Hernández-Rivera Ivonne Pérez-Xochipa Pedro Antonio-López Alan Carrasco-Carballo

Corn is one of the most consumed cereals in the Mexican diet. In this country, there are multiple varieties that exhibit nutraceutical potential due to their content of different metabolites with biological activity, such as blue corn. Another variety that has received little study is the red pigmented corn variety Chilac from Puebla, Mexico, which is being studied for its nutraceutical potential. A differential extraction using the Soxhlet method was carried out to evaluate the phenolic content, total flavonoid content, and monomeric anthocyanins, and free radical scavenging test was performed using the DPPH reagent. A proximate analysis was also conducted to identify the main macronutrients. The results of the proximate analysis were comparable to those of other traditional corn varieties, with carbohydrates being the macronutrient present in the highest amount at 77.9%. Regarding phenolic content and the presence of anthocyanins, the best extractions were obtained using alcoholic solvents; for example, ethanol for phenols, yielding 1368.420 ± 104.094 mg of gallic acid equivalents (GAE)/kg plant. In contrast, the flavonoid content was higher in the aqueous extract, with 833.984 ± 65.218 mg QE/Kg. In the case of the DPPH assay, the best result was obtained with ethyl acetate (73.81 ± 5.31%). These findings provide a foundation for expanding the use of corn varieties with nutraceutical potential, opening the possibility of studies focused on deeper characterization.

AppliedChem doi: 10.3390/appliedchem5030017

Authors: Pavlo Lyshtva Viktoria Voronova Argo Kuusik Yaroslav Kobets

Biopolymers and bio-based plastics, such as polylactic acid (PLA) and polybutylene succinate (PBS), are recognized as environmentally friendly materials and are widely used, especially in the packaging industry. The purpose of this study was to assess the degradation of PLA- and PBS-based formulations in the forms of granules and films under controlled composting conditions at a laboratory scale. Biodegradation tests of bio-based materials were conducted under controlled aerobic conditions, following the standard EVS-EN ISO 14855-1:2012. Scanning electron microscopy (SEM) was performed using a high-resolution Zeiss Ultra 55 scanning electron microscope to analyze the samples. After the six-month laboratory-scale composting experiment, it was observed that the PLA-based materials degraded by 47.46–98.34%, while the PBS-based materials exhibited a final degradation degree of 34.15–80.36%. Additionally, the PLA-based compounds displayed a variable total organic carbon (TOC) content ranging from 38% to 56%. In contrast, the PBS-based compounds exhibited a more consistent TOC content, with a narrow range from 53% to 54%. These findings demonstrate that bioplastics can contribute to reducing plastic waste through controlled composting, but their degradation efficiency depends on the material composition and environmental conditions. Future efforts should optimize bioplastic formulations and composting systems while developing supportive policies for wider adoption.

AppliedChem doi: 10.3390/appliedchem5030016

Authors: Paris Christodoulou Stratoniki Athanasopoulou Georgia Ladika Spyros J. Konteles Dionisis Cavouras Vassilia J. Sinanoglou Eftichia Kritsi

As demand for plant-based beverages grows, analytical tools are needed to classify and understand their structural and compositional diversity. This study applied a multi-analytical approach to characterize 41 commercial almond-, oat-, rice- and soy-based beverages, evaluating attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, protein secondary structure proportions, colorimetry, and microscopic image texture analysis. A total of 26 variables, derived from ATR-FTIR and protein secondary structure assessment, were employed in multivariate models, using partial least squares discriminant analysis (PLS-DA) and orthogonal PLS-DA (OPLS-DA) to evaluate classification performance. The results indicated clear group separation, with soy and rice beverages forming distinct clusters while almond and oat samples showing partial overlap. Variable importance in projection (VIP) scores revealed that β-turn and α-helix protein structures, along with carbohydrate-associated spectral bands, were the key features for beverages’ classification. Textural features derived from microscopy images correlated with sugar and carbohydrate content and color parameters were also employed to describe beverages’ differences related to sugar content and visual appearance in terms of homogeneity. These findings demonstrate that combining ATR-FTIR spectral data with protein secondary structure data enables the effective classification of plant-based beverages, while microscopic image textural and color parameters offer additional extended product characterization.

AppliedChem doi: 10.3390/appliedchem5030015

Authors: Malak Hamieh Sireen Al Khawand Nabil Tabaja Khaled Chawraba Mohammad Hammoud Sami Tlais Tayssir Hamieh Joumana Toufaily

In this study, chromium ferrite (FeCr; CrFe2O4) nanoparticles supported on activated carbon (AC), obtained from agricultural olive mill solid waste, were synthesized via a simple hydrothermal process. The structural, morphological, optical, and chemical properties of the FeCr/AC composite were characterized using XRD, SEM, EDX, DRS, BET, and FTIR techniques. The FeCr/AC composite was applied as a heterogeneous photo-Fenton catalyst for the degradation of methylene blue (MB) dye in an aqueous solution under 25 W visible-light LED irradiation. Critical operational factors, such as FeCr/AC dosage, pH, MB concentration, and H2O2 levels, were optimized. Under optimal conditions, 97.56% of MB was removed within 120 min of visible-light exposure, following pseudo-first-order kinetics. The composite also exhibited high efficiency in degrading methyl orange dye (95%) and tetracycline antibiotic (88%) within 180 min, with corresponding first-order rate constants of 0.0225 min−1 and 0.0115 min−1, respectively. This study highlights the potential of FeCr/AC for treating water contaminated with dyes and pharmaceuticals, in line with the Sustainable Development Goals (SDGs) for water purification.

AppliedChem doi: 10.3390/appliedchem5030014

Authors: Oleksiy Myronyuk Denys Baklan Anna Bilousova Illia Smalii Victoria Vorobyova Vita Halysh Inna Trus

The aim of this work was to improve the technology for obtaining coating based on plasticized polylactide from its aqueous suspensions. For this purpose, a film formation process with additional heating was developed, and the influence of plasticizers on the film-formation temperature was investigated. It is shown that using only mechanical emulsification, it is possible to obtain a material with an average particle size of 2.4 microns, which is suitable for further research and modification for film materials. The introduction of epoxidized fatty acids (oleic and linolic) was found to reduce the film-formation temperature by 20–30 °C compared to the unplasticized polymer, which puts them on par with the classical plasticizer, polyethylene glycol, reducing the film-formation temperature by 36% at the same concentration.

AppliedChem doi: 10.3390/appliedchem5020013

Authors: Alina Stefanache Alexandra Marcinschi George-Alexandru Marin Andreea-Maria Mitran Ionut Iulian Lungu Alina Monica Miftode Florina Crivoi Diana Lacatusu Mihaela Baican Oana Cioanca Monica Hancianu

The Pharmaceutical Strategy for Europe addresses the environmental implications at all stages of the life cycle of pharmaceuticals, from design and production through use to disposal. In the last decade, “green chemistry” has transformed pharmaceuticals by promoting sustainability and reducing environmental impact. This review discusses the latest developments in green chemistry approaches, which are applied in drug design and production, including the concepts, innovative techniques, and methodologies. This review is notably built on over 80 documents and demonstrates the practical application of green chemistry principles in pharmaceutical synthesis, emphasizing successful implementation and the environmental benefits achieved. Therefore, this review discusses the positive changes brought by green chemistry to pharmaceutical production and highlights the need for further research in designing and manufacturing “greener” substances, as well as in pollution abatement.

AppliedChem doi: 10.3390/appliedchem5020012

Authors: David Neder-Suárez Carmen Oralia Meléndez-Pizarro Esther Pérez-Carrillo Jesús Alberto Vázquez-Rodríguez María del Cielo Valdez-Cárdenas Martha Graciela Ruiz-Gutiérrez Carlos Abel Amaya-Guerra Francisco Paraguay-Delgado Armando Quintero-Ramos

The effects of different carrier agents—pea protein (PP), rice protein (RP), bean protein (BP), whey protein (WP), and maltodextrin (MT, as a control)—on pitaya juice encapsulation via spray drying were evaluated. Juice and carrier mixtures (30% w/v) were dried at 150 °C, and the resulting powders were analyzed for water activity (aw), hygroscopicity (Hg), water solubility (WSI), bulk density (BD), glass transition temperature (Tg), water absorption (WAI), antioxidant activity (AA), total polyphenol content (TPC), total betalain (TB) content, and TB stability. Vegetable proteins showed promising results, significantly impacting the protein content, Hg content, WAI, WSI, AA, TPC, and TB content and resulting in high Tg values. PP showed the best results, with high betalain retention (>30%), high TPC and AA, high protein levels, and low Hg, similarly to MT. WP had the highest TB, AA, and TPC but the lowest Tg (47.21 °C), thus reducing stability. Encapsulates obtained with plant protein-based wall materials presented high Tg (>58 °C); low aw, WSI, and Hg; high protein contents >40%; and adequate retention of bioactive compounds, with low degradation rate constants and long half-lives. Overall, plant proteins are promising alternatives to traditional carriers, offering improved stability and functionality in encapsulated products.

AppliedChem doi: 10.3390/appliedchem5020011

Authors: Dehbiya Gherdaoui Fatma Bouazza Samira Ihadadene Madiha Melha Yahoum Sonia Lefnaoui Abdeltif Amrane Lotfi Mouni

The aim of this study was to quantify the total extraction yield (GEY) of polyphenols from pomegranate peels using a solid–liquid extraction process without evaporation but with UV-Vis spectrophotometry. Extraction kinetics models were tested to evaluate the extract yield (GEY), total phenolic compounds (TPCs), total flavonoids (TFCs), and condensed tannins (CTCs). The results showed maximum values of 45% for GEY, 97.560 mg EAG/g db for TPC, 4.416 mg EQ/g db for TFC, and 0.412 mg EC/g db for CTC, obtained with a methanol/water mixture (75/25, v/v) for 24 h. Spectrophotometry proved to be a reliable method for quantifying the total extraction yield, with a correlation of 99.79% compared to the conventional method. The second-order kinetic model accurately described the mass transfer mechanisms of the bioactive compounds studied. This study provides important insights into the mass transfer mechanisms during the extraction of bioactive compounds, facilitating the design, optimization, and control of large-scale processes for the recovery of pomegranate waste.

AppliedChem doi: 10.3390/appliedchem5020010

Authors: Francesco D’Amico Giorgia De Benedetto Luana Malacaria Salvatore Sinopoli Arijit Dutta Teresa Lo Feudo Daniel Gullì Ivano Ammoscato Mariafrancesca De Pino Claudia Roberta Calidonna

The photochemical production of tropospheric ozone (O3) is very closely linked to seasonal cycles and peaks in solar radiation occurring during warm seasons. In the Mediterranean Basin, which is a hotspot for climate and air mass transport mechanisms, boreal warm seasons cause a notable increase in tropospheric O3, which unlike stratospheric O3 is not beneficial for the environment. At the Lamezia Terme (code: LMT) World Meteorological Organization—Global Atmosphere Watch (WMO/GAW) station located in Calabria, Southern Italy, peaks of tropospheric O3 were observed during boreal summer and spring seasons, and were consequently linked to specific wind patterns compatible with increased photochemical activity in the Tyrrhenian Sea. The finding resulted in the introduction of a correction factor for O3 in the O3/NOx (ozone to nitrogen oxides) ratio “Proximity” methodology for the assessment of air mass aging. However, some of the mechanisms driving O3 patterns and their correlation with other parameters at the LMT site remain unknown, despite the environmental and health hazards posed by tropospheric O3 in the area. In general, the issue of ozone photochemical pollution in the region of Calabria, Italy, is understudied. In this study, the behavior of O3 at the site is assessed with remarkable detail using nine years (2015–2023) of data and correlations with surface temperature and solar radiation. The evaluations demonstrate non-negligible correlations between environmental factors, such as temperature and solar radiation, and O3 concentrations, driven by peculiar patterns in local wind circulation. The northeastern sector of LMT, partly neglected in previous works, yielded higher statistical correlations with O3 than expected. The findings of this study also indicate, for central Calabria, the possibility of heterogeneities in O3 exposure due to local geomorphology and wind patterns. A case study of very high O3 concentrations reported during the 2015 summer season is also reported by analyzing the tendencies observed during the period with additional methodologies and highlighting drivers of photochemical pollution on larger scales, also demonstrating that near-surface concentrations result from specific combinations of multiple factors.

AppliedChem doi: 10.3390/appliedchem5020009

Authors: Menka Sharma Mayur Khan Manika Khanuja Neeraj Mishra

In this study, copper ferrite nanoparticles, a type of ferrimagnetic spinel ferrite, were synthesized using the sol-gel auto-combustion method with three different fuels: citric acid, urea, and ethylene glycol. The crystal structures of the synthesized samples were analyzed using X-ray diffraction (XRD), and the growth of secondary phases like Fe2O3 and CuO for samples prepared with urea and ethylene glycol indicated the presence of impurities. Additionally, we observed that the particle size varied significantly with the type of fuel, being the smallest for citric acid and the largest for urea. The electrical and magnetic properties showed strong correlations with the particle size and the presence of impurities. In particular, the optical band gap values, derived from UV-Vis spectroscopy, varied significantly with the choice of fuel, ranging from 2.06 to 3.75 eV. The highest band gap of 3.75 eV was observed in samples synthesized with citric acid. Magnetic properties were measured using a vibrating sample magnetometer (VSM), and it was found that the copper ferrite synthesized with citric acid exhibited the highest values of magnetic saturation and coercivity. These findings demonstrate that the choice of fuel during the synthesis process has substantial impacts on the structural, optical, and magnetic properties of CuFe2O4 nanoparticles.

AppliedChem doi: 10.3390/appliedchem5020008

Authors: Riyam N. Khalaf Sattar S. Ibrahim Zeinab A. El-Shafiey Abeer A. Faheim Hosam M. Saleh

This study investigated the effectiveness of a ligand known as (2-Mercapyo-phenylimino)-1,3-dihydro-indol-2-one-based ligand, in removing stable/radioactive cesium and cobalt from contaminated wastewater. Several parameters, such as contact duration, temperature, adsorbent quantity, pH of the medium, and concentration of adsorbate, have been investigated as primary active parameters impacting the adsorption process. Regarding the stable isotopes, the concentrations of Co2+ and Cs+ were measured before and after the treatment processes using the Optical Emissions Spectroscopy with Inductively Coupled Plasma (ICP-OES) technique. Additionally, kinetic and equilibrium isotherm models were applied to understand the equilibrium data. Both Cs+ and Co2+ were ideally eliminated after 120 and 60 min, respectively. The optimal pH for Cs+ was 6.3, while that for Co2+ was 5. The results indicate that the adsorption process is endothermic for Co2+ and exothermic for Cs+. Three thermodynamic parameters (∆G°, ∆H°, and ∆S°) were calculated. The reported R2 values for the Freundlich and Langmuir models showed that the adsorption process for Cs+ and Co2+ always followed these isotherms, regardless of the temperature used. For Cs+, the maximum single-layer capacity (qmax) was 15.10 mg g−1, while for Co2+, it was 62.11 mg g−1. When the aqueous medium was spiked with both radioisotopes individually, the elimination of 60Co and 134Cs achieved maximum values of 99 and 86%, respectively, within 120 min. It can be concluded that the ligand effectively removed cobalt and cesium from wastewater, with higher adsorption for cobalt.

AppliedChem doi: 10.3390/appliedchem5020007

Authors: Andrea de J. Campos-Badillo Edén A. Luna-Zapién Juan A. Ascacio-Valdés Jolanta E. Marszalek Rafael Minjares-Fuentes Armando Quintero-Ramos Jorge A. Meza-Velázquez

Capsaicinoids obtained from lyophilized serrano chili by sorbitan monooleate solutions were investigated. Sorbitan monooleate was as effective as methanol in extracting capsaicin and dihydrocapsaicin (DHC). Subsequently, a Box–Behnken design was used to optimize capsaicin, DHC, and polyphenol extraction, as well as to evaluate the antioxidant capacity of dehydrated serrano chili. Particle size (PS) (20–60 mesh), processing temperature (55–75 °C), and sorbitan concentration (1.5–2.5%) were selected as independent variables. The statistical analysis showed that the quadratic models adequately describe the response of the concentration of capsaicin and DHC, but not with polyphenols and antioxidant capacity. The highest extraction of capsaicin (~620 mg/100 g dw) and DHC (~520 mg/100 g dw) was achieved with the combination of sorbitan at 2%, temperature at 65 °C, and PS from 40 mesh. Experimental and predicted values were closely consistent. Meanwhile, extracts with the highest antioxidant potential (~7510 and ~5820 µM of Trolox Eq/100 g dw for ABTS and FRAP, respectively) were those extracted in sorbitan and PS from 40 mesh. In contrast, the highest values of polyphenols (~171 mg gallic acid Eq/100 g dw) were found in the extracts prepared at 75 °C. These results suggest that sorbitan monooleate solutions can be an effective, non-toxic, and environmentally responsible way to obtain capsaicinoids and bioactive compounds from dehydrated serrano chili.

AppliedChem doi: 10.3390/appliedchem5010006

Authors: Yayun Zheng Wenbin Zhou Kui Cheng Zhengfei Chen

Ionic liquids based on imidazolium cations have attracted attention due to their high safety and exceptional ionic conductivity. However, imidazole-based ionic liquids exhibit poor electrochemical stability due to the strong reactivity of hydrogen atoms at the C-2 position of imidazole cations. In this work, an ionic liquid 1-butyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide ([C4C1mim][TFSA]), characterized by a methyl-substituted C-2 position and a butyl chain, was investigated in various Li+ environments created by different lithium salt concentrations and fluoroethylene carbonate (FEC) additives. Both optimal Li+ concentrations and the addition of reasonable FEC enable the improvement of ionic conductivity to 3.32 mS cm−1 at 25 °C and a maximum electrochemical window of 5.21 V. The ionic liquid electrolyte Li[TFSA]-[C4C1mim][TFSA] at a molar ratio of 2:8 with 5 wt% FEC addition demonstrates excellent thermal stability. The corresponding Li/LiFePO4 cell exhibits a mitigated polarization growth (increasing from 0.12 V to 0.25 V over 10 cycles) with a high initial discharge capacity of 169.3 mAh g−1.

AppliedChem doi: 10.3390/appliedchem5010005

Authors: Iryna Kovalchuk Iryna Farbun Volodymyr Sydorchuk Andrey Lakhnik Olena Diyuk

The modification of the layered silicate with a structural type 2:1 montmorillonite by the cationic surfactant hexadecyltrimethylammonium bromide was carried out. The obtained organomontmorillonite was milled for 2–25 min in a high-energy planetary ball mill. The structural and physicochemical characteristics of the modified montmorillonite and the mechanochemically activated montmorillonite were investigated using various methods such as X-ray diffraction, thermal analysis, scanning electron microscopy, energy-dispersive X-ray spectroscopy, transmission electron microscopy, and determination of the specific surface area as well as the parameters of the porous structure by the low-temperature adsorption–desorption of nitrogen. The modification of montmorillonite with the quaternary ammonium salt led to a slowdown of deformation and subsequent amorphization of the montmorillonite structure during the high-energy milling. Mechanochemical activation of the modified montmorillonite increased its sorption capacity nine times, with the maximum uranium sorption achieved after mechanochemical treatment for 10 min.

AppliedChem doi: 10.3390/appliedchem5010004

Authors: Carlos Alberto Márquez-Montes José Alberto Gallegos-Infante Guillermo Rodrigo Petzold-Maldonado Patricio Antonio Orellana-Palma Rubén Francisco González-Laredo Nuria Elizabeth Rocha-Guzmán Martha Rocío Moreno-Jiménez

The presence of bioactives in prickly pear has been documented, including flavonoids and betalains, which are compounds highly unstable to thermal processing. An alternative to the thermal processing of foods is the use of cryoconcentration. The objective of this work was to use cryoconcentration assisted by centrifugation to obtain prickly pear (Opuntia ficus-indica L. Mill) concentrate from two ecotypes (green and red) and evaluate their impact on the polyphenol profile and betalains. Prickly pear juice was obtained and cryoconcentrated. The process parameters of cryoconcentration were obtained. The highest solute yield (Y) was observed for red prickly pear juice (0.42 ± 0.03 kg solute × kg initial solute−1), but the efficiency (η) did not show differences between ecotypes (green 51.0 ± 7.0 vs. red 55.0 ± 7.0%), physicochemical parameters (pH, titratable acididty, °Bx), reducing sugars, or color. The highest total phenolic content (TPC) (1843 ± 153), total flavonoid content (TFC) (759 ± 17), betanin (801.6 ± 19), and indicaxanthin (453.7 ± 19) were observed in cryoconcentrated red prickly pear juice, while the antioxidant activity (ABTS, FRAP, and ORAC) was higher in cryoconcentrated green prickly pear juice (except ABTS). Betalains showed a high correlation with the ABTS antioxidant results, and the TPC showed a high correlation with the ORAC results. Cryoconcentration technology has a high potential to process prickly pear juice, preserving its bioactives.

AppliedChem doi: 10.3390/appliedchem5010003

Authors: Rogerio Ramos de Sousa Junior Guilherme Elias Saltarelli Garcia Manuel Patricio da Silva Bisneto Laura Gouveia de Freitas Tamiris Basan Hubmann Túlio Morás Coutinho Demetrio Jackson dos Santos

Lignin, a renewable and widely available biopolymer, has been explored as an additive in polyolefins to develop high value-added materials. However, its low compatibility with polymers like polypropylene (PP) often causes poor particle dispersion and compromised mechanical properties. Esterification has proven effective in enhancing lignin-polyolefin interactions. This study evaluated the incorporation of kraft lignin (KL) and maleic anhydride-modified kraft lignin (MAKL) into PP, focusing on lignin dispersion and the blends’ thermal, mechanical, and viscoelastic properties. Thermal analyses showed that MAKL reduced PP crystallinity, indicating improved compatibility, supported by micrographs showing more uniform particle dispersion. Mechanically, low MAKL concentrations maintained yield strength similar to neat PP, while 5 wt% MAKL increased impact strength by up to 148%. This improvement was attributed to enhanced interfacial interaction, reduced crystallinity, and better energy dissipation. The findings demonstrate that esterification of lignin with maleic anhydride effectively overcomes compatibility limitations with PP, leading to significant gains in mechanical and viscoelastic properties. This work advances lignin’s sustainable use in polymer blends, emphasizing its potential as a renewable alternative in material development.

AppliedChem doi: 10.3390/appliedchem5010002

Authors: Koray Tanrıver Mehmet Bilgin Selin Şahin Sevgili İrem Toprakçı Yüksel Ebru Kurtulbaş Şahin

The annually wasted amount of food has surpassed 1 billion metric tons. Food waste is considered as an important source for the recovery of bioactive compounds, such as carotenoids. There is a demand for antioxidants, nutraceuticals and natural colorants in various industries and carotenoids are one of the commonly used compounds that fit this description. Pumpkin and spinach waste, whose combined amount is over 2 million metric tons, contains bioactive compounds and these wasted foods could be utilized for the recovery of carotenoids. Carotenoids are hydrophobic molecules; therefore, commercial extraction processes often use highly non-polar solvents, and these are rarely environmentally friendly. The aim of this research was to develop effective extraction processes for carotenoids from pumpkin and spinach using environmentally friendly green chemicals. A series of deep eutectic solvents (DESs) composed with L-menthol and carboxylic aliphatic acids were made for the extraction of carotenoids from pumpkin (Cucurbita moschata) and spinach (Spinacia oleracea) via mechanical mixing–assisted extraction (MMAE) and homogenization-assisted extraction (HAE). Response surface methodology (RSM) and analysis of variance (ANOVA) were used to analyze the data and optimization. The DESs composed from L-menthol and propionic acid had the best effect on the extraction of total carotenoid content (TCC) (represented as β-carotene) from pumpkin and spinach via solutions with 1:2 and 1:4 molar ratios, respectively. The yield of carotenoid extraction is expressed in μg-β-carotene/g of pumpkin or spinach. Under the calculated optimum conditions, the yields are estimated to be 11.528 μg-β-carotene/g-pumpkin for the MMAE method, 8.966 μg-β-carotene/g-pumpkin for the HAE method, 16.924 μg-β-carotene/g-spinach for the MMAE method and 18.870 μg-β-carotene/g-spinach for the HAE method.

AppliedChem doi: 10.3390/appliedchem5010001

Authors: Narjess Hajilou Seyed Sepehr Mostafayi Alexander L. Yarin Tolou Shokuhfar

As the demand for environmentally friendly materials continues to rise, poly(lactic acid) (PLA) has emerged as a promising alternative to traditional plastics. The present review offers a comprehensive analysis of the biodegradation behavior of PLA in diverse environmental settings, with a specific focus on soil, compost, water, and wastewater environments. The review presents an in-depth comparison of the degradation pathways and kinetics of PLA from 1990 to 2024. As the presence of different microorganisms in diverse environments can affect the mechanism and rate of biodegradation, it should be considered with comprehensive comparisons. It is shown that the mechanism of PLA biodegradation in soil and compost is that of enzymatic degradation, while the dominant mechanisms of degradation in water and wastewater are hydrolysis and biofilm formation, respectively. PLA reveals a sequence of biodegradation rates, with compost showing the fastest degradation, followed by soil, wastewater, accelerated landfill environments, and water environments, in descending order. In addition, mathematical models of PLA degradation were reviewed here. Ultimately, the review contributes to a broader understanding of the ecological impact of PLA, facilitating informed decision-making toward a more sustainable future.

AppliedChem doi: 10.3390/appliedchem4040023

Authors: Francisco Augusto Nuñez Pérez

Metal corrosion poses a significant challenge for industries by decreasing the lifespan of materials and escalating maintenance and replacement costs. This study is critically important, as it assesses the corrosion resistance properties of annealed steel wire electrodes coated with manganese, employing chronoamperometry and linear voltammetry techniques. The electrodes were immersed in an electrolyte solution and subjected to chronoamperometry at various voltages (−0.55 V, −0.60 V, and −0.70 V) and durations (60 s and 1800 s). Subsequently, linear voltammetry was performed over a potential range from −0.8 V to 0.8 V to generate Tafel plots. The Butler–Volmer equation was applied to the data obtained to determine the corrosion current density. The results indicate that the optimal conditions for forming a highly effective protective manganese layer occur at a potential of −0.70 V for 1800 s. Under these conditions, the electrodes exhibited superior corrosion resistance. This study also revealed that shorter durations and less negative potentials led to less-effective manganese coatings, with higher corrosion rates and reduced stability. These findings are significant for developing efficient corrosion protection methods in industrial and research applications, providing clear parameters for optimizing the manganese electrodeposition process on annealed steel.

AppliedChem doi: 10.3390/appliedchem4040022

Authors: Stanford Chidziva Dorcas Zide Joshua John Bambo Anele Sinto Sivakumar Pasupathi Bernard J. Bladergroen

In the search of sustainable energy solutions, proton exchange membrane water electrolyzers (PEMWEs) have emerged as a promising alternative for sustainable clean hydrogen production. This study focuses on synthesis and characterization of Ruthenium (Ru)-modified iridium oxide (IrO2) catalysts. The anode is the principal reason for the high overpotential of PEMWEs and it also greatly increases the cost of the electrolyzers. IrO2 is highly stable and corrosion-resistant, particularly in acidic environments, making it a durable catalyst for the oxygen evolution reaction (OER) in PEMWEs, though it suffers from a relatively high overpotential. Ruthenium oxide (RuO2), on the other hand, is more catalytically active with a lower overpotential, but is less stable under the same conditions. In this study, the goal was to improve the catalytic activity and stability of the anode catalyst, IrO2, through the controlled incorporation of Ru and to reduce overall catalyst cost due to the reduced iridium content. This synergistic combination allows for better performance in terms of conductivity, efficiency, and durability, making Ru-modified IrO2 an ideal catalyst for OER in PEMWE applications. The Adams fusion method was adapted and used to synthesize the catalysts. The modified catalysts were characterized using analytical instruments. These analyses provided insights into the structural, morphological, and electrochemical properties of the Ru-modified IrO2 catalysts.

AppliedChem doi: 10.3390/appliedchem4040021

Authors: Robert J. Meier Paul R. Rablen

In this paper we provide the reader with a ready to use Group Contribution (GC) method for the heat of formation (gaseous state) of organics in the form of an Excel spreadsheet with all data, enabling further predictions, and an accompanying manual on how to use the GC model for predicting the heat of formation for organics. In addition, in order to widen the applicability of the method whilst retaining chemical accuracy compared to our previous publications on this topic, we include further chemical groups including acetals, benzyl ethers, bicyclic hydrocarbons, alkanediols and glycerol, polycyclic aromatic hydrocarbons, aromatic fluoro compounds, and finally several species which we include to illustrate how the GC model can be successfully applied to species we did not consider during the parameterization of the GC model parameters.

AppliedChem doi: 10.3390/appliedchem4040020

Authors: Gervais Mouthé Happi Sajjad Haider Sikiru Akinyeye Ahmed Zaheer Ul-Haq

Malaria remains one of the great killers in tropical regions of the world due to the transmission of the Plasmodium parasite by the bites of the female mosquito Anopheles. The resistance of this species to synthetic insecticides contributes to an increase in the incidence of malaria and therefore necessitates the development of new potent and eco-friendly insecticides. In this study, twelve previously reported limonoids from four Entandrophragma species collected in Cameroon have been computationally evaluated for their Anopheles gambiae AChE inhibitory activity. The docking procedure was carried out through Molecular Operating Environment 2019.01 (MOE), while the UCSF Chimera program was used to model the docking results based on interactions between proteins and ligands, and molecular dynamics trajectories were analyzed using the GROMACS 2021.1 tool. Entandrophragmin and encandollens B and C with docking scores ranging from −6.45 to −7.28 kcal/mol were the most promising hits compared to the reference azadirachtin (−6.22 kcal/mol) and were further evaluated for their mechanism of action. Subsequent evaluation classified encandollen C as the best candidate for the development of new potent eco-friendly insecticides based on its lower average RMSD and RMSF and its compactness over a 150 ns duration with acetylcholinesterase.

AppliedChem doi: 10.3390/appliedchem4030019

Authors: Yasmina Khalaf Peter El Hage Souha Mansour Nicolas Brosse Julia Dimitrova Mihajlova Anne Bergeret Patrick Lacroix Roland El Hage

Recycling olive waste, a major by-product of the olive oil industry, presents significant environmental and economic benefits. This study explores the potential of olive waste (OW) by-products, specifically their individual components such as olive stones (OS), olive oily pomace (OS) and olive oil-free pomace (OF), as sustainable alternatives to wood in eco-friendly composite materials, alongside other residues such as miscanthus, spent mushroom substrate and recycled textile waste. Composite panels were produced with densities ranging from 685 to 907 kg/m3 through thermocompression. The manuscript details the production methodology and assesses the panel’s thermal performance, water absorption, and mechanical strength. The aim is to assess the viability of these alternative materials in producing composites that could serve as environmentally friendly substitutes for traditional wood-based products. Oil-free pomace is a promising and effective alternative to wood, suitable for dry environments. Composite panels composed of miscanthus or spent mushroom substrate and oil-free pomace met the EN 312 standards for general-purpose products in dry conditions, highlighting their potential for use in sustainable applications.

AppliedChem doi: 10.3390/appliedchem4030018

Authors: Alina Kinner Stephan Lütz Katrin Rosenthal

The environmental impacts of the postindustrial era, which rely on fossil fuels, have compelled a reconsideration of the future of energy and chemical industries. Fungi are a valuable resource for improving a circular economy through the enhanced valorization of biomass and plant waste. They harbor a great diversity of oxidative enzymes, especially in their secretome. Enzymatic breakdown of the plant cell wall complex and lignocellulosic biomass yields sugars for fermentation and biofuel production, as well as aromatic compounds from lignin that can serve as raw materials for the chemical industry. To harness the biocatalytic potential, it is essential to identify and explore wild-type fungi and their secretomes. This study successfully combined genome mining and activity screening to uncover the oxidative potential of a collection of underexploited ascomycetes and basidiomycetes. The heme peroxidase and laccase activities of four promising candidates, Bipolaris victoriae, Colletotrichum sublineola, Neofusicoccum parvum and Moesziomyces antarcticus, were investigated to gain a deeper insight into their enzyme secretion. Furthermore, a plant-based medium screening with the phytopathogen C. sublineola revealed that soybean meal is a beneficial component to trigger the production and secretion of enzymes that catalyze H2O2-dependent oxidations. These results demonstrate that understanding fungal secretomes and their enzymatic potential opens exciting avenues for sustainable biotechnological applications across various industries.

AppliedChem doi: 10.3390/appliedchem4030017

Authors: Abdul Qadir Abbas Muhammad Arslan Hafeez Cheng Zhang Muhammad Atiq-ur-Rehman Muhammad Yasir

An Fe-based amorphous coating, with the composition Fe48Cr15Mo14C15B6Y2, was synthesized by the high-velocity oxygen fuel spray (HVOF) process on a substrate of AISI 1035. The effect of crystallization on the electrochemical and tribological properties of the HVOF-sprayed Fe-based coating was systematically studied. The XRD results validated the fully amorphous nature of the as-sprayed coating by showing a broad peak at 43.44° and crystallization of this coating after heat-treatment at 700 °C by demonstrating sharp peaks of Fe-, Mo-, and Cr-based carbides. After crystallization, an increase in the corrosion current density from 4.95 μAcm−2 to 11.57 μAcm−2 and in the corrosion rate from 4.28 mpy to 9.99 mpy, as well as a decrease in the polarization resistance from 120 Ωcm2 to 65.12 Ωcm2, were observed, indicating the deterioration of the corrosion resistance of the as-sprayed Fe-based coating. This can be attributed to the formation of porous ferrous oxide, providing an easy channel for charge transfer and promoting pit formation. However, a decrease in the coefficient of friction from 0.1 to 0.05 was observed, highlighting the significant improvement in the wear resistance of the Fe-based coating after crystallization. This can be associated with the precipitation of hard carbides (MxCy) at the boundaries of the crystallized regions.

AppliedChem doi: 10.3390/appliedchem4030016

Authors: David Gendron Maria Zakharova

Carbon dioxide (CO2) is recognized as the primary cause of global warming due to its greenhouse potential. It plays a significant role in contributing to the emissions arising from a variety of anthropogenic activities, such as energy production, transportation, the construction industry, and other industrial processes. Capturing and utilizing CO2 to mitigate its impact on the environment is, therefore, of significant importance. To do so, strategies such as net-zero strategies, deploying capture and storage technologies, and converting CO2 into useful products have been proposed. In this review, we focused our attention on the preparation and performance of polymeric and crystalline materials for efficient CO2 capture. More precisely, we examined MOFs, petroleum-based polymers (amine-based, polymeric ionic liquid, ionic polymer, conjugated macro/micro-cyclic polymer, and porous organic polymer) as well as bio-based polymers for CO2 capture. In brief, the present work aims to guide the reader on the available crafted polymeric and crystalline materials offering a promising avenue towards innovative carbon dioxide capture strategy.

AppliedChem doi: 10.3390/appliedchem4030015

Authors: Ada Ruth Bertoti José Carlos Netto-Ferreira

The triplet excited state reactivity towards phenolic hydrogen of the α-diketones benzil and 2,2′-furil in the ionic liquid 1-n-butyl-3-methyl imidazolium hexafluorophosphate [bmim.PF6] was investigated employing the nanosecond laser flash photolysis technique. Irradiation (λmax = 355 nm) of benzil yields its triplet excited state with λmax at 480 nm and τT = 9.6 μs. Under the same conditions, 2,2′-furil shows a triplet-triplet absorption spectrum with bands at 380, 410, 450, and 650 nm and τT = 1.4 μs. Quenching rate constants (kq) of the reaction between benzil triplet and substituted phenols ranged from 1.4 × 107 L mol−1 s−1 (para-chlorophenol) to 1.8 × 108 L mol−1 s−1 (para-methoxyphenol). A new transient was formed in all cases, assigned to the benzil ketyl. Similar results were obtained for the quenching of 2,2′-furil triplet by phenols, for which kq ranged from 1.9 × 108 L mol−1 s−1 (para-chlorophenol) to 2.2 × 108 L mol−1 s−1 (para-methoxyphenol). The 2,2′-furil ketyl radical was also observed in all cases (λmax = 380 nm). The quenching rate constants are almost independent of the substituent and diffusion-controlled (kq ~ 108 L mol−1 s−1). The proposed mechanism for the phenolic hydrogen abstraction by benzil and 2,2′-furil triplet may involve a proton-coupled electron transfer reaction, ultimately leading to the radical pair ketyl/aryloxyl.

AppliedChem doi: 10.3390/appliedchem4020014

Authors: Yuntao Zhou Saleha Akter Anh Dao Thi Phan Eshetu Mulisa Bobasa Maral Seididamyeh Dharini Sivakumar Yasmina Sultanbawa

Lemongrass (genus Cymbopogon) is commonly used in foods, beverages, cosmetics, pharmaceuticals, and material science. Cymbopogon ambiguus A. Camus, the Australian Native Lemongrass, is a lesser-known member of the genus Cymbopogon, and research on this plant is scarce. Australian Indigenous people use the stalks and leaves of C. ambiguus as teas. Dried chopped leaves are also used as herbs in cooking. The aim of this study was to determine the proximate composition and bioactive properties of Australian native lemongrass (C. ambiguus). Antimicrobial capacity was carried out using the well diffusion method, antioxidant capacity by the FRAP method, and antidiabetic capacity by using the α-glucosidase inhibitory activity assay. The results obtained in the current study were compared with previously published literature on lemongrass (C. citratus). The results showed that C. ambiguus has lower fat and protein content and lower antioxidant and antimicrobial capacities than C. citratus, but it is very rich in fibre (67.55%) and has strong α-glucosidase inhibitory capacity. The total phenolic and total flavonoid content determined in the aqueous extract of C. ambiguus are also notable. The results of the present study showed that Australian native lemongrass has promising bioactive potential to be used as an alternative native herbal tea.

AppliedChem doi: 10.3390/appliedchem4020013

Authors: Veronica D’Eusanio Andrea Marchetti Stefano Pastorelli Michele Silvestri Lucia Bertacchini Lorenzo Tassi

This article explores the use of olive pit powder (OPP) as a promising resource for enhancing the thermal insulation properties of epoxy mortars. A comprehensive analysis of the chemical and physical characteristics of OPP was conducted, employing analytical techniques including scanning electron microscopy (SEM), thermogravimetric analysis and emitted gas analysis (TG-MS-EGA), and proximal analysis. Experimental samples of epoxy grout were prepared by using different proportions of a conventional inorganic filler, quartz powder, and OPP within an epoxy mortar matrix. As the percentage of OPP in the formulation increased, the microstructure of the samples gradually became more porous and less compact. Consequently, there was a decrease in density with the increase in OPP content. The 28-day compressive strength decreased from 46 MPa to 12.8 MPa, respectively, in the samples containing only quartz (Sample E) and only OPP (Sample A) as a filler. Similarly, flexural strength decreased from 35.2 to 5.3 MPa. The thermal conductivity decreased from 0.3 W/mK in Sample E to 0.11 in Sample A. Therefore, increasing the %wt of OPP improved insulating properties while reducing the mechanical resistance values. This study highlights the potential of OPP as an environmentally friendly and thermally efficient filler for epoxy mortars, thereby promoting sustainable construction practices.

AppliedChem doi: 10.3390/appliedchem4020012

Authors: Jie Hu Fuqiang Liu

The escalating levels of atmospheric CO2, primarily attributed to human activities, underscore the urgent need for innovative solutions to mitigate environmental challenges. This study delves into the electrochemical reduction of CO2 as a promising avenue for sustainable carbon capture and utilization. Focused on the formation of formate (HCOO−/HCOOH), a high-value product, the research explores the integration of nonthermal plasma (NTP) with electrochemical processes—an approach rarely studied in existing literature. A comprehensive investigation involves varying parameters such as plasma discharging voltage, carrier gas, discharging mode, electrolysis voltage, polarity, and plasma type. The electrochemical tests employ a 10 wt.% Pd/C catalyst, and formate production is quantitatively analyzed using NMR. Results reveal that NTP significantly enhances CO2 reduction, with key factors influencing formate yield elucidated. The study reveals the complexity of CO2 electrochemical reduction, providing novel insights into the synergistic effects of NTP. These findings contribute to advancing sustainable technologies for CO2 utilization, paving the way for more efficient and environmentally friendly processes in the pursuit of a carbon-neutral future.

AppliedChem doi: 10.3390/appliedchem4020011

Authors: Caio Pereira Mota Carlos Alberto Silva

Nitrogen (N) is highly reactive and prone to being easily lost into the air and soil water. Biochar–N composites have proven effective in nourishing and improving maize growth. The aim of this study was to synthesize and assess the properties of composites made from biochars (pyrolyzed at 300 °C) derived from chicken manure (N = 3.5%) and leguminous cake (N = 9%) and enriched with ammonium sulfate (AS), urea, and diammonium phosphate (DAP). The biochar pH was adjusted to approximately 6 using sulfuric and phosphoric acids prior to formulating the six tested composites. Maize was cultivated for 50 days under greenhouse conditions, with evaluations of the maize dry matter (DM) and N in the plant shoot. The biochar and composite properties underwent scrutiny for chemical and physicochemical attributes, as well as for soluble N in water and in an HCl solution. Throughout maize cultivation, the release of N as ammonium and nitrate from the composites and pure biochars in the Oxisol solution was successively assessed. Composites formulated with DAP and supplied at a dose of 270 mg kg−1 N yielded the same maize dry matter as composites in which 400 mg kg−1 N was supplied to plants. Regardless of the N source, at the end of maize cultivation, the residual N in the Oxisol was reduced and inadequate for a new cultivation, even in soils treated with urea. Notably, the biochar–N composites, particularly those formulated with DAP, were as effective as urea in nourishing and promoting robust maize growth. In contrast, the maize biomass was lower for plants fertilized with pure biochars, indicating that the N from the carbonized matrices was insufficient for optimal biomass production.

AppliedChem doi: 10.3390/appliedchem4020010

Authors: Leonard D. R. Acho Edinilze S. C. Oliveira Simone B. Carneiro Fernanda Paula A. Melo Leilane de S. Mendonça Renyer A. Costa Rosivaldo S. Borges Marcos B. Machado Hector H. F. Koolen Igor Rafael dos S. Magalhães Emersom S. Lima

Diabetes mellitus is a chronic metabolic disease that is mainly characterized by hyperglycemia. Chalcones and their derivatives have demonstrated promising pharmacological potential for the treatment of diabetes. The aim of the study was to evaluate antidiabetic activities and analyze 4-methoxychalcone (MPP) using GC-MS. The compound was characterized using mass spectroscopy, nuclear magnetic resonance and headspace with gas chromatography coupled to mass spectrometry (HS-GC-MS). MPP was evaluated via the inhibition of the alpha-glucosidase enzyme, cell viability and antiglycation and hemolytic activities in vitro. The study of the interaction between the bovine serum albumin protein and MPP was investigated via molecular docking. Oral sucrose tolerance and oral glucose tolerance tests were performed in streptozotocin (STZ)-induced diabetic mice. The HS-GC-MS method was able to accurately detect and characterize the compound, and the interaction between MPP and BSA revealed the remarkable affinity for the two main binding sites of BSA. This was confirmed by the in vitro antiglycation test, since MPP showed activity through both oxidative and non-oxidative stress. MPP significantly attenuated the increase in glycemia after glucose loading in STZ-induced diabetic mice. These results confirm that MPP has antihyperglycemic activity and may be an alternative for the treatment of diabetes mellitus.