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Keywords = naphthalene

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12 pages, 805 KB  
Article
OSMAC-Driven Discovery of Six New Alkaloids from the Cold-Seep-Derived Fungus Talaromyces amestolkiae HDN21-0307
by Xinsheng Huang, Jiajin Wu, Luning Zhou, Zhengjie Wang, Qian Che, Liangzhen Chen, Wenxue Wang, Tianjiao Zhu and Dehai Li
Mar. Drugs 2025, 23(9), 337; https://doi.org/10.3390/md23090337 - 25 Aug 2025
Viewed by 58
Abstract
Six new alkaloid compounds, including two rare aromatic nitrile compounds talaronitriles A–B (12), a novel oxime-functionalized azadiphilone analogue talarooxime A (3), a new phenylhydrazone alkaloid talarohydrazone E (4), and two new dipeptide compounds talarodipeptides A–B [...] Read more.
Six new alkaloid compounds, including two rare aromatic nitrile compounds talaronitriles A–B (12), a novel oxime-functionalized azadiphilone analogue talarooxime A (3), a new phenylhydrazone alkaloid talarohydrazone E (4), and two new dipeptide compounds talarodipeptides A–B (56), were isolated from the deep-sea cold-seep-derived fungus Talaromyces amestolkiae HDN21-0307 via OSMAC approach. Compound 1 is the first natural naphthalene compound with cyano groups. Compound 3 represents the first natural product containing an oxime-functionalized azadiphilone scaffold. Their structures and absolute configurations were elucidated through spectroscopic data analysis and quantum chemical calculations. Notably, compound 3 demonstrated moderate DPPH free-radical-scavenging activity, with an IC50 value of 29.41 μM. Full article
(This article belongs to the Section Structural Studies on Marine Natural Products)
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18 pages, 1967 KB  
Article
Optimizing Growth Regulator Concentrations for Cannabis sativa L. Micropropagation
by Gabrielle A. Johnson, Carissa L. Jackson, Antonio Timoteo, Papaiah Sardaru, Michael H. Foland, Purushothaman Natarajan and Sadanand A. Dhekney
Plants 2025, 14(16), 2586; https://doi.org/10.3390/plants14162586 - 20 Aug 2025
Viewed by 361
Abstract
In this study, the effect of growth regulators on shoot proliferation and rooting were evaluated to develop an efficient micropropagation protocol for the Cannabis sativa L. cultivars ‘Cherry Soda’ and ‘Purple’. Apical meristems were isolated from actively growing shoots of stock plants and [...] Read more.
In this study, the effect of growth regulators on shoot proliferation and rooting were evaluated to develop an efficient micropropagation protocol for the Cannabis sativa L. cultivars ‘Cherry Soda’ and ‘Purple’. Apical meristems were isolated from actively growing shoots of stock plants and transferred to Driver and Kuniyuki Walnut (DKW) culture medium containing either 0.0, 0.5, 1.0, 2.0, or 5.0 μM meta-Topolin to study their shoot proliferation response. Resulting shoot cultures were transferred to medium containing varying levels of Indole Acetic Acid (IAA), Indole Butyric Acid (IBA), or Naphthalene Acetic Acid (NAA), solely or in combination, and were subjected to a 10-day dark incubation followed by a 16 h/8 h light/dark period to identify the best treatment for root production. Among the different shoot proliferation treatments studied, the maximum number of shoots was produced on the control medium that was devoid of any meta-Topolin. Cultures grown on medium containing 5.0 μM meta-Topolin exhibited hyperhydricity, where shoots appeared translucent and pale green in color; were characterized by water-soaked lesions; and leaves appeared curled and brittle in contrast to healthy looking cultures. Among the various rooting treatments studied, shoots grown in the dark for 10 days exhibited the highest frequency of rooting on medium containing 4.0 μM NAA or 6.0 μM IBA + 1.0 μM NAA. Full developed plants with a robust shoot and root system were transferred to soil, acclimatized under conditions for high humidity, and then transferred to ambient conditions in 4 weeks. The micropropagation protocol developed here allows for rapid multiplication of disease-free plants in C. sativa cultivars. Full article
(This article belongs to the Special Issue Plant Tissue Culture and Plant Regeneration—2nd Edition)
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16 pages, 1725 KB  
Article
In Vitro Propagation of Variegated Cymbidium lancifolium Hooker
by Iro Kang and Iyyakkannu Sivanesan
Plants 2025, 14(16), 2551; https://doi.org/10.3390/plants14162551 - 16 Aug 2025
Viewed by 273
Abstract
Variegated Cymbidium lancifolium is a highly valued ornamental plant sought after in local and international markets. The commercial production of variegated C. lancifolium through traditional propagation methods faces significant challenges, such as low propagation rates and prolonged growth periods. This study aims to [...] Read more.
Variegated Cymbidium lancifolium is a highly valued ornamental plant sought after in local and international markets. The commercial production of variegated C. lancifolium through traditional propagation methods faces significant challenges, such as low propagation rates and prolonged growth periods. This study aims to develop effective in vitro propagation techniques for variegated C. lancifolium through asymbiotic seed germination to enhance production efficiency and meet market demand. We examined the effects of various plant growth regulators and coconut water (CW) on in vitro seed germination. The highest germination percentage (46.8%) was recorded in Murashige and Skoog (MS) medium supplemented with 50 mL/L CW, 4.0 µM α-naphthalene acetic acid (NAA), 2.3 µM kinetin (KN), and 2.9 µM gibberellic acid (GA3). Seed-derived rhizomes were placed on MS medium containing indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), and NAA for proliferation. Among the auxins, NAA was the most effective, significantly increasing rhizome proliferation, with the highest number (17.4) and length (2.1 cm) observed at 5.0 µM. The rhizome explants were cultured in MS medium enriched with kinetin (KN), N6-(2-isopentenyl)adenine (2-IP), and N6-benzyladenine (BA) to promote plantlet regeneration. Of the cytokinins tested, BA at 10.0 µM resulted in the highest rate of plantlet regeneration (79.4%), the greatest number of plantlets (4.4 per culture), and notable plantlet height (8.5 cm). We obtained plantlets with dark green leaves, light green leaves, and distinct variegation patterns. They were transferred to three different substrate mixtures for acclimatization. The substrate made of orchid stone (30%), wood bark (30%), coconut husk chips (20%), and perlite (20%) supported the highest survival rate (95.9%). This study successfully established optimized in vitro propagation techniques for variegated C. lancifolium, enabling enhanced germination, rhizome proliferation, and plantlet regeneration to meet the growing market demand. Full article
(This article belongs to the Section Plant Development and Morphogenesis)
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15 pages, 1019 KB  
Article
Biostimulatory Effects of Bacillus subtilis and Pseudomonas corrugata on Phytochemical and Antioxidant Properties of In Vitro-Propagated Plants of Nardostachys jatamansi (D. Don) DC
by Janhvi Mishra Rawat, Mrinalini Agarwal, Shivani Negi, Jigisha Anand, Prabhakar Semwal, Balwant Rawat, Rajneesh Bhardwaj and Debasis Mitra
Bacteria 2025, 4(3), 38; https://doi.org/10.3390/bacteria4030038 - 1 Aug 2025
Viewed by 302
Abstract
Plant growth-promoting rhizobacteria (PGPRs) are well known for their capacity to enhance the growth and survival of in vitro-grown plants. However, their effect on Nardostachys jatamansi (D. Don) DC., a critically endangered medicinal plant in the Indian Himalayan Region, is still unknown. In [...] Read more.
Plant growth-promoting rhizobacteria (PGPRs) are well known for their capacity to enhance the growth and survival of in vitro-grown plants. However, their effect on Nardostachys jatamansi (D. Don) DC., a critically endangered medicinal plant in the Indian Himalayan Region, is still unknown. In this study, a simple, reproducible protocol for in vitro propagation of N. jatamansi was established using shoot tip explants, cultured on Murashige and Skoog (MS) medium supplemented with different plant growth regulators, including N6-benzylaminopurine, thidiazuron (TDZ), and naphthalene acetic acid (NAA). MS media supplemented with 2.0 μM TDZ and 0.5 µM NAA created a significant shoot induction with an average of 6.2 shoots per explant. These aseptically excised individual shoots produced roots on MS medium supplemented with Indole Butyric Acid or NAA within 14 days of the transfer. The PGPR, viz., Bacillus subtilis and Pseudomonas corrugata, inoculation resulted in improved growth, higher chlorophyll content, and survival of in vitro-rooted plants (94.6%) after transfer to the soil. Moreover, the PGPRs depicted a two-fold higher total phenolics (45.87 mg GAE/g DW) in plants. These results clearly demonstrate the beneficial effects of P. corrugata and B. subtilis on the growth, survival, and phytochemical content of N. jatamansi. Full article
(This article belongs to the Special Issue Harnessing of Soil Microbiome for Sustainable Agriculture)
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25 pages, 7320 KB  
Article
A Comprehensive Evaluation of a Chalcone Derivative: Structural, Spectroscopic, Computational, Electrochemical, and Pharmacological Perspectives
by Rekha K. Hebasur, Varsha V. Koppal, Deepak A. Yaraguppi, Neelamma B. Gummagol, Raviraj Kusanur and Ninganagouda R. Patil
Photochem 2025, 5(3), 20; https://doi.org/10.3390/photochem5030020 - 30 Jul 2025
Viewed by 394
Abstract
This study details how 3-(naphthalen-2-yl)-1-phenylprop-2-en-1-one (3NPEO) behaves in terms of photophysics when exposed to different solvents. The solvatochromic effect study reveals significant polarity shifts in the excited states of the 3NPEO compound, likely due to an intramolecular proton transfer mechanism. Measurements of dipole [...] Read more.
This study details how 3-(naphthalen-2-yl)-1-phenylprop-2-en-1-one (3NPEO) behaves in terms of photophysics when exposed to different solvents. The solvatochromic effect study reveals significant polarity shifts in the excited states of the 3NPEO compound, likely due to an intramolecular proton transfer mechanism. Measurements of dipole moments provide insight into their resonance structures in both ground and excited states. Electrochemical analysis revealed a reversible redox process, indicating a favorable charge transport potential. HOMO and LUMO energies of the compound were computed via oxidation and reduction potential standards. 3NPEO exhibits optimal one-photon and two-photon absorption characteristics, validating its suitability for visible wavelength laser applications in photonic devices. Furthermore, molecular docking and dynamics simulations demonstrated strong interactions between 3NPEO and the progesterone receptor enzyme, supported by structure–activity relationship (SAR) analyses. In vitro cytotoxicity assays on the MDAMB-231 breast cancer cell line showed moderate tumor cell inhibitory activity. Apoptosis studies confirmed the induction of both early and late apoptosis. These findings suggest that 3NPEO holds promise as a potential anticancer agent targeting the progesterone receptor in breast cancer cells. Overall, the findings highlight the substantial influence of solvent polarity on the photophysical properties and the design of more effective and stable therapeutic agents. Full article
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36 pages, 3579 KB  
Article
RNA Sequencing Reveals Inflammatory and Metabolic Changes in the Lung and Brain After Carbon Black and Naphthalene Whole Body Inhalation Exposure in a Rodent Model of Military Burn Pit Exposures
by Allison M. Haaning, Brian J. Sandri, Henry L. Wyneken, William T. Goldsmith, Joshua P. Nixon, Timothy R. Nurkiewicz, Chris H. Wendt, Paul Barach, Janeen H. Trembley and Tammy A. Butterick
Int. J. Mol. Sci. 2025, 26(15), 7238; https://doi.org/10.3390/ijms26157238 - 26 Jul 2025
Viewed by 801
Abstract
Military personnel deployed to Iraq and Afghanistan were exposed to emissions from open-air burn pits, where plastics, metals, and medical waste were incinerated. These exposures have been linked to deployment-related respiratory diseases (DRRD) and may also impact neurological health via the lung–brain axis. [...] Read more.
Military personnel deployed to Iraq and Afghanistan were exposed to emissions from open-air burn pits, where plastics, metals, and medical waste were incinerated. These exposures have been linked to deployment-related respiratory diseases (DRRD) and may also impact neurological health via the lung–brain axis. To investigate molecular mechanisms, adult male rats were exposed to filtered air, naphthalene (a representative volatile organic compound), or a combination of naphthalene and carbon black (surrogate for particulate matter; CBN) via whole-body inhalation (six hours/day, three consecutive days). Lung, brain, and plasma samples were collected 24 h after the final exposure. Pro-inflammatory biomarkers were assessed using multiplex electrochemiluminescence and western blot. Differentially expressed genes (DEGs) were identified by RNA sequencing, and elastic net modeling was used to define exposure-predictive gene signatures. CBN exposure altered inflammatory biomarkers across tissues, with activation of nuclear factor kappa B (NF-κB) signaling. In the lung, gene set enrichment revealed activated pathways related to proliferation and inflammation, while epithelial–mesenchymal transition (EMT) and oxidative phosphorylation were suppressed. In the brain, EMT, inflammation, and senescence pathways were activated, while ribosomal function and oxidative metabolism were downregulated. Elastic net modeling identified a lung gene signature predictive of CBN exposure, including Kcnq3, Tgfbr1, and Tm4sf19. These findings demonstrate that inhalation of a surrogate burn pit mixture induces inflammatory and metabolic gene expression changes in both lung and brain tissues, supporting the utility of this animal model for understanding systemic effects of airborne military toxicants and for identifying potential biomarkers relevant to DRRD and Veteran health. Full article
(This article belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)
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24 pages, 3120 KB  
Article
Asymbiotic Seed Germination and In Vitro Propagation of the Thai Rare Orchid Species; Eulophia bicallosa (D.Don) P.F.Hunt & Summerh.
by Thanakorn Wongsa, Jittra Piapukiew, Kanlaya Kuenkaew, Chatchaya Somsanook, Onrut Sapatee, Julaluk Linjikao, Boworn Kunakhonnuruk and Anupan Kongbangkerd
Plants 2025, 14(14), 2212; https://doi.org/10.3390/plants14142212 - 17 Jul 2025
Viewed by 615
Abstract
An efficient in vitro propagation protocol for Eulophia bicallosa was developed using asymbiotic seed germination and protocorm proliferation. The effect of light on seed germination and development was evaluated on Vacin and Went (VW) medium under five conditions: darkness, white, green, red, and [...] Read more.
An efficient in vitro propagation protocol for Eulophia bicallosa was developed using asymbiotic seed germination and protocorm proliferation. The effect of light on seed germination and development was evaluated on Vacin and Went (VW) medium under five conditions: darkness, white, green, red, and blue light for 24 weeks. Blue and red light significantly accelerated seed development, allowing progression to stage 5 within 24 weeks. For protocorm proliferation, six semi-solid culture media were tested. Half-strength Murashige and Skoog (½MS) medium yielded the best results after 8 weeks, producing the highest numbers of shoots (1.0), leaves (1.1), and roots (4.2) per protocorm, with 100% survival. The effects of organic additives were also evaluated using coconut water and potato extract. A combination of 200 mL L−1 coconut water and 50 g L−1 potato extract enhanced shoot formation (1.7 shoots), while 150 mL L−1 coconut water with 50 g L−1 potato extract increased both leaf (1.9) and root (8.8) numbers. The effects of cytokinins (benzyladenine (BA), kinetin (6-furfurylaminopurine), and thidiazuron (TDZ)) and auxins (indole-3-acetic acid (IAA), α-naphthalene acetic acid (NAA), indole-3-butyric acid (IBA), and 2,4-dichlorophenoxyacetic acid (2,4-D)) were investigated using ½MS medium supplemented with each plant growth regulator individually at concentrations of 0, 0.1, 0.5, 1.0, and 2.0 mg L−1. Among the cytokinins, 0.1 mg L−1 BA produced the highest survival rate (96%), while 1.0 mg L−1 BA induced the greatest shoot formation (93%, 2.3 shoots). Among the auxins, 0.1 mg L−1 IAA resulted in the highest survival (96%), and 1.0 mg L−1 IAA significantly enhanced root induction (4.2 roots per protocorm). Acclimatization in pots containing a 1:1:1 (v/v) mixture of pumice, sand, and soil resulted in 100% survival. This protocol provides a reliable and effective approach for the mass propagation and ex situ conservation of E. bicallosa. Full article
(This article belongs to the Section Plant Development and Morphogenesis)
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26 pages, 9003 KB  
Article
A Pilot-Scale Gasifier Freeboard Equipped with Catalytic Filter Candles for Particulate Abatement and Tar Conversion: 3D-CFD Simulations and Experimental Tests
by Alessandra Tacconi, Pier Ugo Foscolo, Sergio Rapagnà, Andrea Di Carlo and Alessandro Antonio Papa
Processes 2025, 13(7), 2233; https://doi.org/10.3390/pr13072233 - 12 Jul 2025
Viewed by 520
Abstract
This work deals with the catalytic steam reforming of raw syngas to increase the efficiency of coupling gasification with downstream processes (such as fuel cells and catalytic chemical syntheses) by producing high-temperature, ready-to-use syngas without cooling it for cleaning and conditioning. Such a [...] Read more.
This work deals with the catalytic steam reforming of raw syngas to increase the efficiency of coupling gasification with downstream processes (such as fuel cells and catalytic chemical syntheses) by producing high-temperature, ready-to-use syngas without cooling it for cleaning and conditioning. Such a combination is considered a key point for the future exploitation of syngas produced by steam gasification of biogenic solid fuel. The design and construction of an integrated gasification and gas conditioning system were proposed approximately 20 years ago; however, they still require further in-depth study for practical applications. A 3D model of the freeboard of a pilot-scale, fluidized bed gasification plant equipped with catalytic ceramic candles was used to investigate the optimal operating conditions for in situ syngas upgrading. The global kinetic parameters for methane and tar reforming reactions were determined experimentally. A fluidized bed gasification reactor (~5 kWth) equipped with a 45 cm long segment of a fully commercial filter candle in its freeboard was used for a series of tests at different temperatures. Using a computational fluid dynamics (CFD) description, the relevant parameters for apparent kinetic equations were obtained in the frame of a first-order reaction model to describe the steam reforming of key tar species. As a further step, a CFD model of the freeboard of a 100 kWth gasification plant, equipped with six catalytic ceramic candles, was developed in ANSYS FLUENT®. The composition of the syngas input into the gasifier freeboard was obtained from experimental results based on the pilot-scale plant. Simulations showed tar catalytic conversions of 80% for toluene and 41% for naphthalene, still insufficient compared to the threshold limits required for operating solid oxide fuel cells (SOFCs). An overly low freeboard temperature level was identified as the bottleneck for enhancing gas catalytic conversions, so further simulations were performed by injecting an auxiliary stream of O2/steam (50/50 wt.%) through a series of nozzles at different heights. The best simulation results were obtained when the O2/steam stream was fed entirely at the bottom of the freeboard, achieving temperatures high enough to achieve a tar content below the safe operating conditions for SOFCs, with minimal loss of hydrogen content or LHV in the fuel gas. Full article
(This article belongs to the Section Chemical Processes and Systems)
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18 pages, 1475 KB  
Article
Metabolomic Prediction of Naphthalene Pneumo-Toxicity in the Snail Helix aspersa maxima
by Aude Devalckeneer, Marion Bouviez and Jean-Marie Colet
Metabolites 2025, 15(7), 448; https://doi.org/10.3390/metabo15070448 - 3 Jul 2025
Viewed by 642
Abstract
Background: Polluted soils represent a major problem in many industrialized countries that urgently requires appropriate health risk assessment. The One Health concept that considers a close relationship between human and animal health and ecosystems relies, among other techniques, on continuous monitoring through the [...] Read more.
Background: Polluted soils represent a major problem in many industrialized countries that urgently requires appropriate health risk assessment. The One Health concept that considers a close relationship between human and animal health and ecosystems relies, among other techniques, on continuous monitoring through the use of animal species as bioindicators. In this context, terrestrial gastropods, already recognized as relevant indicators due to their anatomo-physiology, provide a reliable model to study the pneumotoxic effects of pollutants. On the other hand, risk assessment is based on multi-biomarker studies. Therefore, omic approaches seem particularly useful since they can simultaneously detect numerous early biological changes. Methods: In this study, Helix aspersa maxima was exposed to naphthalene, a highly volatile aromatic hydrocarbon responsible for numerous respiratory disorders. Pulmonary membrane extracts and hemolymph samples were analyzed by 1H-NMR spectroscopy after single or repeated exposures to naphthalene. Results: Numerous metabolic changes were observed, which could be related to membrane lesions, energy, anti-inflammatory, and tumorigenesis pathways. Conclusions: Our findings highlight the potential of combining animal indicator and omics techniques to predict respiratory health risks in cases of exposure to polluted soils. Full article
(This article belongs to the Collection Feature Papers in Assessing Environmental Health and Function)
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18 pages, 5900 KB  
Article
Ambient Air VOC Levels in an Industrial Area of Turkey: Levels, Spatial Distribution, and Health Risk Assessment
by Aykan Karademir, Ercan Arpaz, Şenay Çetin Doğruparmak and Gülsün Özgül
Toxics 2025, 13(7), 540; https://doi.org/10.3390/toxics13070540 - 27 Jun 2025
Viewed by 449
Abstract
The seasonal variations, spatial distribution, and health risk assessment of 13 volatile organic compounds (VOCs), particularly benzene, toluene, ethyl benzene, and xylene (BTEX), in the ambient air of Dilovası, a Turkish city with unplanned urbanization, are presented in this study. Using passive tube [...] Read more.
The seasonal variations, spatial distribution, and health risk assessment of 13 volatile organic compounds (VOCs), particularly benzene, toluene, ethyl benzene, and xylene (BTEX), in the ambient air of Dilovası, a Turkish city with unplanned urbanization, are presented in this study. Using passive tube sampling, at 22 locations in Dilovası, air samples were collected separately for the summer and winter, and concentrations were measured using thermal desorption GC-MS. Pollution maps were created using the Golden Software Surfer program and QGIS Desktop 3.42.0 software program. A health risk evaluation was conducted using the US Environmental Protection Agency’s (USEPA) approach. The study’s findings demonstrated that the atmospheric VOC concentrations at the sampling locations varied significantly by season and location. According to a carcinogenic risk assessment, residents in this area may be more susceptible to cancer if they are exposed to benzene, ethylbenzene, and naphthalene over an extended period. A non-carcinogenic risk (HQ) evaluation determined that while there was no significant risk at 21 measurement points, there was a substantial risk for non-cancer health effects at 1 measurement point. The significance of regulatory policies and pollution control technologies has once again emerged in this context. Full article
(This article belongs to the Section Air Pollution and Health)
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17 pages, 3505 KB  
Article
Linker-Dependent Variation in the Photophysical Properties of Dinuclear 2-Phenylpyridinato(salicylaldiminato)platinum(II) Complexes Featuring NDI Units
by Soichiro Kawamorita, Tatsuya Matsuoka, Kazuki Nakamura, Bijak Riyandi Ahadito and Takeshi Naota
Molecules 2025, 30(12), 2664; https://doi.org/10.3390/molecules30122664 - 19 Jun 2025
Viewed by 400
Abstract
Through-space charge transfer (TSCT) between spatially adjacent donor and acceptor units has garnered considerable attention as a promising design principle for optoelectronic materials. While TSCT systems incorporating rigid spacers have been extensively studied to enhance through-space interactions, transition metal complexes connected by flexible [...] Read more.
Through-space charge transfer (TSCT) between spatially adjacent donor and acceptor units has garnered considerable attention as a promising design principle for optoelectronic materials. While TSCT systems incorporating rigid spacers have been extensively studied to enhance through-space interactions, transition metal complexes connected by flexible linkers remain underexplored, despite increasing interest in their potential TSCT behavior. Herein, we report the design and synthesis of a donor–acceptor–donor (D-A-D)-type complex (1), in which a central naphthalenediimide (NDI) electron acceptor is linked to 2-phenylpyridinato(salicylaldiminato)platinum(II) complexes via flexible alkyl linkers. By systematically varying the linker length (n = 3, 4, 5, 6; 1ad), we achieved precise control over the spatial arrangement between the NDI core and the platinum moieties in solution. Notably, compound 1a (n = 3) adopts an S-shaped conformation in solution, giving rise to a distinct TSCT absorption band. The structural and photophysical properties were thoroughly investigated using single-crystal X-ray diffraction, 1H NMR, NOESY analysis, and DFT calculations, which collectively support the existence of the folded conformation and associated TSCT behavior. These findings highlight that TSCT can be effectively induced in flexible molecular systems by exploiting intramolecular spatial proximity and non-covalent interactions, thereby offering new avenues for the design of responsive optoelectronic materials. Full article
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16 pages, 8686 KB  
Article
Potential Natural Inhibitors of MRSA ABC Transporters and MecA Identified Through In Silico Approaches
by Benson Otarigho, Paul M. Duffin and Mofolusho O. Falade
Microorganisms 2025, 13(6), 1431; https://doi.org/10.3390/microorganisms13061431 - 19 Jun 2025
Viewed by 641
Abstract
Methicillin-resistant Staphylococcus aureus (MRSA) poses a significant clinical challenge due to its resistance to multiple antibiotics. The urgent need for new therapeutic approaches has led to the exploration of natural compounds as potential treatments, particularly those targeting the key bacterial proteins involved in [...] Read more.
Methicillin-resistant Staphylococcus aureus (MRSA) poses a significant clinical challenge due to its resistance to multiple antibiotics. The urgent need for new therapeutic approaches has led to the exploration of natural compounds as potential treatments, particularly those targeting the key bacterial proteins involved in antibiotic resistance. This study focused on the multidrug ABC transporter and MecA proteins, which play crucial roles in MRSA′s pathogenicity and resistance mechanisms. Using computational techniques and molecular docking methods, we assessed the interactions of 80 natural compounds with S. aureus multidrug ABC transporter SAV1866 (SAV1866) and MecA proteins. Our analysis revealed 14 compounds with robust binding to SAV1866 and one compound with a strong affinity for MecA. Notably, these compounds showed weaker affinities for the MgrA, MepR, and arlR proteins, suggesting specificity in their interactions. Among the 15 promising compounds identified, 1′,2-Binaphthalen-4-one-2′,3-dimethyl-1,8′-epoxy-1,4′,5,5′,8,8′-hexahydroxy-8-O-β-glucopyranosyl-5′-O-β-xylopyranosyl(1→6)-β-glucopyranoside; Cis-3,4-dihydrohamacanthin b; and Mamegakinone exhibited the highest binding affinities to S. aureus SAV1866. These compounds represent diverse chemical classes, including alkaloids, indole derivatives, naphthalenes, and naphthoquinones, offering a range of structural scaffolds for further drug development. Our findings provide valuable insights into potential new antibacterial agents targeting S. aureus SAV1866 and MecA proteins. These results lay the groundwork for future in vitro and in vivo studies to validate these compounds′ efficacy for combating MRSA infections, potentially leading to the development of novel therapeutic strategies against antibiotic-resistant bacteria. Full article
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21 pages, 3087 KB  
Article
Host–Guest Interactions of Cucurbit[7]uril with Nabumetone and Naproxen: Spectroscopic, Calorimetric, and DFT Studies in Aqueous Solution
by David Klarić, Valentina Borko, Jelena Parlov Vuković, Viktor Pilepić, Ana Budimir and Nives Galić
Molecules 2025, 30(12), 2558; https://doi.org/10.3390/molecules30122558 - 12 Jun 2025
Viewed by 523
Abstract
The complexation of nabumetone (NAB) and naproxen (NAP) with cucurbit[7]uril (CB7) was investigated in aqueous solution by isothermal titration microcalorimetry, mass spectrometry, NMR spectroscopy, and computation methods. High-resolution mass spectrometry was used for the determination of the binding stoichiometry and the gas-phase stability [...] Read more.
The complexation of nabumetone (NAB) and naproxen (NAP) with cucurbit[7]uril (CB7) was investigated in aqueous solution by isothermal titration microcalorimetry, mass spectrometry, NMR spectroscopy, and computation methods. High-resolution mass spectrometry was used for the determination of the binding stoichiometry and the gas-phase stability of the drug–CB7 complex. The doubly charged NH4+ or Na+ adducts of the 1:1 complex were observed in the mass spectra. The dissociation of complexes was monitored at different collision energies, (1–16) eV, leading to the neutral loss of NH3 and the drug, with charge retention observed on CB7. By performing ITC experiments, all the thermodynamic parameters were determined for the NAB-CB7 complex in water at 25 °C. The corresponding values amounted to the following: logK = 4.66 ± 0.01; ΔrG° = −26.7 ± 0.1 kJ/mol; ΔrH° = −20.2 ± 0.7 kJ/mol; TΔrS° = 6.4 ± 0.8 kJ/mol, i.e., the formation of the inclusion complex is enthalpy driven and has a favorable entropy. The inclusion phenomena were further confirmed by NMR spectroscopy (1H, ROESY, and DOSY), suggesting the encapsulation of the naphthalene ring of both drugs inside the CB7 cavity. The results of the DFT calculations and the IGMH analysis were in accordance with the experimental ones, suggesting that van der Waals interactions play a major role in drug–CB7 complexation. Full article
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17 pages, 2074 KB  
Article
The Synthesis of Polycarboxylate Dispersants Containing Benzenesulfonic Acid Groups and Their Performance in Promoting Coal Particle Dispersion
by Lin Li, Zhisen Li, Shuo Yang, Chuandong Ma, Wenqi Zhang, Meng He and Xiaofang You
Molecules 2025, 30(12), 2493; https://doi.org/10.3390/molecules30122493 - 6 Jun 2025
Viewed by 469
Abstract
In this study, a polycarboxylate coal–water slurry dispersant (SSPA) containing benzenesulfonic acid groups was synthesized using allyl alcohol polyoxyethylene ether 500, sodium styrenesulfonate, and acrylic acid as raw materials. The effects of SSPA and a commercially available naphthalene-based dispersant (MF) on the slurry [...] Read more.
In this study, a polycarboxylate coal–water slurry dispersant (SSPA) containing benzenesulfonic acid groups was synthesized using allyl alcohol polyoxyethylene ether 500, sodium styrenesulfonate, and acrylic acid as raw materials. The effects of SSPA and a commercially available naphthalene-based dispersant (MF) on the slurry characteristics of low-rank coal were compared, and the maximum solid content of CWS prepared with SSPA reached 65.2%, which was 4% higher than that achieved with MF (61.2%). Unlike the more electronegative MF dispersant, SSPA features long polyether side chains that exert a robust steric hindrance effect, significantly enhancing coal particle dispersion. This results in a decrease in apparent viscosity and an increase in the stability of the CWS formulated with SSPA. Furthermore, adsorption experiments revealed that the adsorption kinetics of both SSPA and MF on coal conformed to the pseudo-second-order kinetic model. SSPA’s adsorption on coal particles followed the Langmuir isothermal adsorption model, and the KL value of 0.0094 for SSPA was greater than that of MF (0.0086). This indicates that SSPA has a stronger affinity for the coal surface. Overall, the superior adsorption efficacy of SSPA is attributed to the benzene ring in its nonpolar group, which facilitates steric hindrance with aromatic structures in coal. Additionally, SSPA improves slurry stability, achieving a penetration rate of 96.7%. Finally, the carboxylic acid groups in SSPA likely engage in electrostatic attraction with cations on the coal surface, enhancing adsorption. Full article
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12 pages, 1878 KB  
Article
Micropropagation of Philodendron ‘White Knight’ via Shoot Regeneration from Petiole Explants
by Iro Kang and Iyyakkannu Sivanesan
Plants 2025, 14(11), 1714; https://doi.org/10.3390/plants14111714 - 4 Jun 2025
Viewed by 1081
Abstract
Philodendron ‘White Knight’ is a popular climbing evergreen plant typically propagated through stem cuttings. However, this method is slow and inefficient, making it challenging to meet the rising market demand. In vitro propagation could enhance the multiplication of this cultivar. However, research on [...] Read more.
Philodendron ‘White Knight’ is a popular climbing evergreen plant typically propagated through stem cuttings. However, this method is slow and inefficient, making it challenging to meet the rising market demand. In vitro propagation could enhance the multiplication of this cultivar. However, research on its in vitro propagation is limited. Therefore, the objective of the present study was to establish an efficient micropropagation technique to mass-produce Philodendron ‘White Knight’ to meet the market demand. We investigate the impact of silver nanoparticles (Ag NPs) on the surface sterilization of Philodendron ‘White Knight’ petioles, the role of plant growth regulators in adventitious shoot regeneration and shoot multiplication, and the effect of auxins on the rooting ability of Philodendron ‘White Knight’ microshoots. There are few stages in plant micropropagation. The establishment of aseptic culture is the first and most important stage. For Philodendron ‘White Knight’, aseptic petiole explants (100%) were obtained after treatment with 40 mg L−1 Ag NPs for 60 min. This was followed by adventitious shoot induction, and the highest rate of adventitious shoot induction (52.6%) and the maximum shoot number (13.9 shoots per petiole) were achieved on Murashige and Skoog shoot multiplication B (MS-B) medium with 20 µM of 2-isopentenyl adenine (2-IP) and 5.0 µM of naphthalene acetic acid (NAA). The shoot multiplication stage was achieved with the highest number of shoots (34 shoots per shoot tip) with a length of 5.1 cm, which was obtained on MS-B medium with 5.0 µM 2-IP and 2.5 µM NAA. All the microshoots produced roots during the root induction stage with the maximum root number (8.2 roots per shoot), and the greatest plantlet height (9.1 cm) was achieved on half-strength Murashige and Skoog medium containing indole-3-butyric acid (10.0 μM). The rooted plantlets of Philodendron ‘White Knight’ were transplanted into a substrate composed of 10% peat moss, 50% orchid stone, and 40% coconut husk chips and acclimatized in a greenhouse environment, achieving a survival rate of 100%. This micropropagation protocol can be used for the commercial production of Philodendron ‘White Knight’. Full article
(This article belongs to the Special Issue Plant Tissue Culture V)
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