Journal Description
Molecules
Molecules
is the leading international, peer-reviewed, open access journal of chemistry. Molecules is published semimonthly online by MDPI. The International Society of Nucleosides, Nucleotides & Nucleic Acids (IS3NA), the Spanish Society of Medicinal Chemistry (SEQT) and the International Society of Heterocyclic Chemistry (ISHC) are affiliated with Molecules and their members receive a discount on the article processing charges.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, SCIE (Web of Science), PubMed, MEDLINE, PMC, Reaxys, CaPlus / SciFinder, MarinLit, AGRIS, and other databases.
- Journal Rank: JCR - Q2 (Chemistry, Multidisciplinary) / CiteScore - Q1 (Chemistry (miscellaneous))
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 15.1 days after submission; acceptance to publication is undertaken in 2.8 days (median values for papers published in this journal in the first half of 2024).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
- Sections: published in 26 topical sections.
- Testimonials: See what our editors and authors say about Molecules.
- Companion journal: Foundations.
Impact Factor:
4.2 (2023);
5-Year Impact Factor:
4.6 (2023)
Latest Articles
Inhibition of DNA Topoisomerase Ι by Flavonoids and Polyacetylenes Isolated from Bidens pilosa L.
Molecules 2024, 29(15), 3547; https://doi.org/10.3390/molecules29153547 (registering DOI) - 27 Jul 2024
Abstract
Abstract: Human DNA topoisomerase I (Topo I) is an essential enzyme in regulating DNA supercoiling during transcription and replication, and it is an important therapeutic target for anti-tumor agents. Bidens pilosa L. is a medicinal herb that is used as a folk
[...] Read more.
Abstract: Human DNA topoisomerase I (Topo I) is an essential enzyme in regulating DNA supercoiling during transcription and replication, and it is an important therapeutic target for anti-tumor agents. Bidens pilosa L. is a medicinal herb that is used as a folk medicine for cancers in China. A new flavonoid (1) and a new polyacetylene (20), along with eighteen flavonoids (2–19) and nine polyacetylenes (21–29), were isolated and identified from the methanol extract of the whole plant of B. pilosa, and some of the compounds (4, 5, 6 and 7) exhibited potent cytotoxicity against a panel of five human cancer cell lines. The DNA relaxation assay revealed that some flavonoids and polyacetylenes exerted inhibitory activities on human DNA Topo I, among them compounds 1, 2, 5, 6, 7, 8, 15, 19, 20, 22, and 24 were the most active ones, with IC50 values of 393.5, 328.98, 145.57, 239.27, 224.38, 189.84, 89.91, 47.5, 301.32, 178.03, and 218.27 μM, respectively. The structure–activity analysis of flavonoids was performed according to the results from the Topo I inhibition assay. The DNA content analysis revealed that 5, 6, and 7 potently arrested cell cycle at the G1/S and G2/M phases in human colon cancer cell DLD-1 depending on the concentration of the inhibitors. The levels of protein expression related to the G1/S and G2/M cell cycle checkpoints were in accordance with the results from the DNA content analysis. These findings suggest that flavonoids are one of the key active ingredients accounting for the anti-tumor effect of B. pilosa.
Full article
Open AccessArticle
Dual-Functionalized Mesoporous Silica Nanoparticles for Celecoxib Delivery: Amine Grafting and Imidazolyl PEI Gatekeepers for Enhanced Loading and Controlled Release with Reduced Toxicity
by
Diky Mudhakir, Ebrahim Sadaqa, Zuliar Permana, Jihan Eldia Mumtazah, Normalita Faraz Zefrina, Jovinka Natalie Xeliem, Latifa Fawzia Hanum and Neng Fisheri Kurniati
Molecules 2024, 29(15), 3546; https://doi.org/10.3390/molecules29153546 (registering DOI) - 27 Jul 2024
Abstract
The development of targeted drug delivery systems has been a pivotal area in nanomedicine, addressing challenges like low drug loading capacity, uncontrolled release, and systemic toxicity. This study aims to develop and evaluate dual-functionalized mesoporous silica nanoparticles (MSN) for targeted delivery of celecoxib,
[...] Read more.
The development of targeted drug delivery systems has been a pivotal area in nanomedicine, addressing challenges like low drug loading capacity, uncontrolled release, and systemic toxicity. This study aims to develop and evaluate dual-functionalized mesoporous silica nanoparticles (MSN) for targeted delivery of celecoxib, enhancing drug loading, achieving controlled release, and reducing systemic toxicity through amine grafting and imidazolyl polyethyleneimine (PEI) gatekeepers. MSN were synthesized using the sol–gel method and functionalized with (3-aminopropyl) triethoxysilane (APTES) to create amine-grafted MSN (MSN-NH2). Celecoxib was loaded into MSN-NH2, followed by conjugation of imidazole-functionalized PEI (IP) gatekeepers synthesized via carbodiimide coupling. Characterization was conducted using Fourier-transform infrared spectroscopy (FTIR) and proton nuclear magnetic resonance (1H-NMR). Drug loading capacity, entrapment efficiency, and in vitro drug release at pH 5.5 and 7.4 were evaluated. Cytotoxicity was assessed using the MTT assay on RAW 264.7 macrophages. The synthesized IP was confirmed by FTIR and 1H-NMR. Amine-grafted MSN demonstrated a celecoxib loading capacity of 12.91 ± 2.02%, 2.1 times higher than non-functionalized MSN. In vitro release studies showed pH-responsive behavior with significantly higher celecoxib release from MSN-NH2-celecoxib-IP at pH 5.5 compared to pH 7.4, achieving a 33% increase in release rate within 2 h. Cytotoxicity tests indicated significantly higher cell viability for IP-treated cells compared to PEI-treated cells, confirming reduced toxicity. The dual-functionalization of MSN with amine grafting and imidazolyl PEI gatekeepers enhances celecoxib loading and provides controlled pH-responsive drug release while reducing systemic toxicity. These findings highlight the potential of this advanced drug delivery system for targeted anti-inflammatory and anticancer therapies.
Full article
(This article belongs to the Topic Advances in Controlled Release and Targeting of Drugs)
Open AccessArticle
Efficacy of Agricultural Residue-Derived Biochar for Tackling Cadmium Contamination in an Aqueous Solution
by
Qinghai Liu, Zhengguo Song, Jingwen Li, Chongshuang Pan and Weiwen Qiu
Molecules 2024, 29(15), 3545; https://doi.org/10.3390/molecules29153545 (registering DOI) - 27 Jul 2024
Abstract
This study aimed to investigate the efficacy of biochar, produced from different agricultural residues varying in lignin and cellulose content and subjected to different pyrolysis temperatures, in removing cadmium ions (Cd (II)) from an aqueous solution. This removal process is crucial for protecting
[...] Read more.
This study aimed to investigate the efficacy of biochar, produced from different agricultural residues varying in lignin and cellulose content and subjected to different pyrolysis temperatures, in removing cadmium ions (Cd (II)) from an aqueous solution. This removal process is crucial for protecting human health and the environment. Specifically, the study focused on the adsorption behaviors of Cd (II) by the biochars made from rice husk biochar (RHB), maize straw biochar (MSB), peanut shell biochar (PSB), cottonseed shell biochar (CHB), and mulberry leaf biochar (MLB), which were prepared at 300 °C and 600 °C. The results indicated that the type of agricultural residue used to produce biochar significantly influenced the adsorption of Cd (II). Notably, mulberry leaf biochar prepared at 300 °C (MLB-300) demonstrated the highest adsorption efficiency, achieving a maximum adsorption capacity of 42.2 mg g−1. Batch adsorption experiments assessed the impact of various factors, including system pH, NO3− concentration, and adsorption duration. The adsorption kinetics were better described by the pseudo-second-order model than the pseudo-first-order model. Moreover, the study found that the lignin content of the biochar plays a major role in determining the adsorption capacity. The surface characteristics of biochar, influenced by the types of agricultural residues and preparation temperature, directly impact its adsorption mechanism and capacity. While biochar produced at 300 °C showed optimal Cd(II) adsorption, those processed at 600 °C were less effective, likely due to the loss of functional groups at higher temperatures.
Full article
(This article belongs to the Section Materials Chemistry)
►▼
Show Figures
Figure 1
Open AccessArticle
Synthesis and Anti-Trypanosoma cruzi Activity of New Pyrazole-Thiadiazole Scaffolds
by
Thamyris Perez de Souza, Lorraine Martins Rocha Orlando, Leonardo da Silva Lara, Vitoria Barbosa Paes, Lucas Penha Dutra, Mauricio Silva dos Santos and Mirian Claudia de Souza Pereira
Molecules 2024, 29(15), 3544; https://doi.org/10.3390/molecules29153544 (registering DOI) - 27 Jul 2024
Abstract
Chagas disease, a silent but widespread disease that mainly affects a socioeconomically vulnerable population, lacks innovative safe drug therapy. The available drugs, benznidazole and nifurtimox, are more than fifty years old, have limited efficacy, and carry harmful side effects, highlighting the need for
[...] Read more.
Chagas disease, a silent but widespread disease that mainly affects a socioeconomically vulnerable population, lacks innovative safe drug therapy. The available drugs, benznidazole and nifurtimox, are more than fifty years old, have limited efficacy, and carry harmful side effects, highlighting the need for new therapeutics. This study presents two new series of pyrazole-thiadiazole compounds evaluated for trypanocidal activity using cellular models predictive of efficacy. Derivatives 1c (2,4-diCl) and 2k (4-NO2) were the most active against intracellular amastigotes. Derivative 1c also showed activity against trypomastigotes, with the detachment of the flagellum from the parasite body being a predominant effect at the ultrastructural level. Analogs have favorable physicochemical parameters and are predicted to be orally available. Drug efficacy was also evaluated in 3D cardiac microtissue, an important target tissue of Trypanosoma cruzi, with derivative 2k showing potent antiparasitic activity and a significant reduction in parasite load. Although 2k potentially reduced parasite load in the washout assay, it did not prevent parasite recrudescence. Drug combination analysis revealed an additive profile, which may lead to favorable clinical outcomes. Our data demonstrate the antiparasitic activity of pyrazole-thiadiazole derivatives and support the development of these compounds using new optimization strategies.
Full article
(This article belongs to the Special Issue Heterocyclic Compounds for Drug Design and Drug Discovery)
►▼
Show Figures
Figure 1
Open AccessReview
Advancing Adsorption and Separation with Modified SBA-15: A Comprehensive Review and Future Perspectives
by
Binjun Liang, Pingxin Zhu, Jihan Gu, Weiquan Yuan, Bin Xiao, Haixiang Hu and Mingjun Rao
Molecules 2024, 29(15), 3543; https://doi.org/10.3390/molecules29153543 (registering DOI) - 27 Jul 2024
Abstract
Mesoporous silica SBA-15 has emerged as a promising adsorbent and separation material due to its unique structural and physicochemical properties. To further enhance its performance, various surface modification strategies, including metal oxide and noble metal incorporation for improved catalytic activity and stability, organic
[...] Read more.
Mesoporous silica SBA-15 has emerged as a promising adsorbent and separation material due to its unique structural and physicochemical properties. To further enhance its performance, various surface modification strategies, including metal oxide and noble metal incorporation for improved catalytic activity and stability, organic functionalization with amino and thiol groups for enhanced adsorption capacity and selectivity, and inorganic–organic composite modification for synergistic effects, have been extensively explored. This review provides a comprehensive overview of the recent advances in the surface modification of SBA-15 for adsorption and separation applications. The synthesis methods, structural properties, and advantages of SBA-15 are discussed, followed by a detailed analysis of the different modification strategies and their structure–performance relationships. The adsorption and separation performance of functionalized SBA-15 materials in the removal of organic pollutants, heavy metal ions, gases, and biomolecules, as well as in chromatographic and solid–liquid separation, is critically evaluated. Despite the significant progress, challenges and opportunities for future research are identified, including the development of low-cost and sustainable synthesis routes, rational design of SBA-15-based materials with tailored properties, and integration into practical applications. This review aims to guide future research efforts in developing advanced SBA-15-based materials for sustainable environmental and industrial applications, with an emphasis on green and scalable modification strategies.
Full article
(This article belongs to the Special Issue Recent Advances in Porous Materials)
Open AccessArticle
Synthesis and Characterization of Symmetrical N-Heterocyclic Carbene Copper(II) Complexes—An Investigation of the Influence of Pyridinyl Substituents
by
Bhupendra Adhikari, Selvam Raju, Raymond Femi Awoyemi, Bruno Donnadieu, David O. Wipf, Sean L. Stokes and Joseph P. Emerson
Molecules 2024, 29(15), 3542; https://doi.org/10.3390/molecules29153542 (registering DOI) - 27 Jul 2024
Abstract
Three new tridentate copper(II) N-heterocyclic carbene (NHC) complexes have been obtained and characterized with symmetrical C-4 substitutions on their pendent pyridine rings. Substitutions including methyl (Me), methoxy (OMe), and chloro (Cl) groups, which extend the library pincer Cu-NHC complexes under investigation, modify
[...] Read more.
Three new tridentate copper(II) N-heterocyclic carbene (NHC) complexes have been obtained and characterized with symmetrical C-4 substitutions on their pendent pyridine rings. Substitutions including methyl (Me), methoxy (OMe), and chloro (Cl) groups, which extend the library pincer Cu-NHC complexes under investigation, modify the impact of pyridinyl basicity on NCN pincer complexes. Both ligand precursors and copper(II) complexes are characterized using a range of techniques, including nuclear magnetic resonance (NMR) spectroscopy for 1H, 13C, 31P, and 19F nuclei, electrospray ionization mass spectrometry (ESI-MS), X-ray crystallography, cyclic voltammetry, and UV-Vis spectroscopy. The pyridine substitutions lead to minimal changes to bond lengths and angles in the X-ray crystal structures of these related complexes; there is a pronounced impact on the electrochemical behavior of both the ligand precursors and copper complexes in the solution. The substitution in the pyridinyl units of these complexes show an impact on the catalytic reactivity of these complexes as applied to a model C–N bond-forming reaction (CEL cross-coupling) under well-established conditions; however, this observation does not correlate to the expected change in basicity in these ligands.
Full article
(This article belongs to the Special Issue Exclusive Feature Papers on Molecular Structure)
►▼
Show Figures
Figure 1
Open AccessArticle
Effect of Sterilization Methods on Chemical and Physical-Mechanical Properties of Cotton Compresses
by
Maja Somogyi Škoc, Jana Juran and Iva Rezić
Molecules 2024, 29(15), 3541; https://doi.org/10.3390/molecules29153541 (registering DOI) - 27 Jul 2024
Abstract
The aim of this work was to determine the changes in the chemical and physical-mechanical properties of gauze compresses under the influence of various sterilizations. Gauze compresses are made of cotton; therefore, all methods used focused on cotton. The methods used to test
[...] Read more.
The aim of this work was to determine the changes in the chemical and physical-mechanical properties of gauze compresses under the influence of various sterilizations. Gauze compresses are made of cotton; therefore, all methods used focused on cotton. The methods used to test possible damage to cotton materials (pH value (pH paper, KI starch paper), yellowing test, Fehling reaction, reaction to the formation of Turnbull blue (Berlin blue), microscopic staining with methylene blue and swelling reaction with Na-zincate) did not show that the sterilizations affected the cotton compresses. The morphological characteristics were examined with a scanning electron microscope (SEM). The SEM images showed that there were no morphological changes in the cotton fibers. FTIR-ATR spectroscopy revealed that the sterilization processes did not alter the characteristic bands of the cotton. The length of the macromolecules was increased (DP), showing that the sterilization processes had affected the cotton. The results of the wet strength test followed. The samples showed values below 100%, with the exception of two samples. It is known from theory that the relative wet strength is less than 100% when the material is damaged. The t-test performed on the strength results showed that the p-value was greater than 0.05 for all samples tested, with the exception of one sample. The degree of swelling capacity was determined, with non-sterilized samples having the highest capacity, followed by samples sterilized with ethylene oxide and then samples sterilized by steam sterilization. The results obtained are a contribution to the innovation of the topic of this work and a scientific confirmation for manufacturers and anyone interested in the influence of the sterilization process on natural fibers (cotton).
Full article
(This article belongs to the Section Materials Chemistry)
Open AccessArticle
Mesoporous Silica with an Alveolar Construction Obtained by Eco-Friendly Treatment of Rice Husks
by
Margarita Popova, Violeta Mitova, Momtchil Dimitrov, Consolato Rosmini, Ivelina Tsacheva, Pavletta Shestakova, Daniela Karashanova, Irina Karadjova and Neli Koseva
Molecules 2024, 29(15), 3540; https://doi.org/10.3390/molecules29153540 (registering DOI) - 27 Jul 2024
Abstract
The high silicon content in rice plant waste, specifically rice husks, makes this waste by-product attractive for the extraction and valorization of silicon oxide, which is widely used as an inert support in catalysis, drug delivery and molecular sieving. The procedures currently used
[...] Read more.
The high silicon content in rice plant waste, specifically rice husks, makes this waste by-product attractive for the extraction and valorization of silicon oxide, which is widely used as an inert support in catalysis, drug delivery and molecular sieving. The procedures currently used for the treatment of plant biomass make extensive use of mineral acids (HCl, H2SO4, HNO3), which, besides them being potential environmental pollutants, reduce the yield and worsen the chemical-physical properties of the product. In this study, an evaluation of the easy treatment of rice husks by benchmarking different, more eco-friendly carboxylic acids in order to obtain a mesoporous SiO2 with an alveolar structure and a relatively high surface area and pore volume (300–420 m2/g, 0.37–0.46 cm3/g) is presented. The obtained mesoporous silicas are characterized by worm-like pores with a narrow size distribution and a maximum in the range of 3.4–3.5 nm. The mesoporous structure of the obtained materials was also confirmed by TEM. The complete removal of the organic part of the rice husks in the final materials was evidenced by thermogravimetric analysis. The high purity of the obtained mesoporous silica was detected using ICP analysis (98.8 wt. %). The structure peculiarities of the obtained mesoporous silicas were also characterized by solid-state NMR and ATR-FTIR spectroscopies. The morphology of the mesoporous silica was investigated by SEM.
Full article
(This article belongs to the Special Issue Exclusive Papers of Editorial Board Members and Invited Scholars in “Materials Chemistry”)
Open AccessArticle
Tungsten Molecular Species in Deuterium Plasmas in Contact with Sputtered W Surfaces
by
Gheorghe Dinescu, Cristina Craciun, Silviu Daniel Stoica, Catalin Constantin, Bogdana Maria Mitu and Tomy Acsente
Molecules 2024, 29(15), 3539; https://doi.org/10.3390/molecules29153539 (registering DOI) - 27 Jul 2024
Abstract
We show that in plasmas generated in deuterium in the presence of sputtered W surfaces, various molecular tungsten species are formed, whose chemical composition depends on the presence of gaseous impurities, namely, nitrogen, oxygen, and hydrogen. A magnetron discharge was used for plasma
[...] Read more.
We show that in plasmas generated in deuterium in the presence of sputtered W surfaces, various molecular tungsten species are formed, whose chemical composition depends on the presence of gaseous impurities, namely, nitrogen, oxygen, and hydrogen. A magnetron discharge was used for plasma sustaining, and the species were investigated by mass spectrometry and optical emission spectroscopy. The identified tungsten-containing molecules are described by the chemical formula WOxNyDzHt, where x = 0–4, y = 0–3, z = 0–3, t = 0–5. Presumptively, even higher mass tungsten molecular species are present in plasma, which were not detected because of the limitation of the spectrometer measurement range to 300 amu. The presence of these molecules will likely impact the W particle balance and dust formation mechanisms in fusion plasmas.
Full article
(This article belongs to the Section Nanochemistry)
►▼
Show Figures
Figure 1
Open AccessReview
Recent Development of Fluoroquinolone Derivatives as Anticancer Agents
by
Justyna Nowakowska, Dominika Radomska, Robert Czarnomysy and Krzysztof Marciniec
Molecules 2024, 29(15), 3538; https://doi.org/10.3390/molecules29153538 (registering DOI) - 27 Jul 2024
Abstract
Cancer is the second leading cause of death in the world following cardiovascular disease. Its treatment, including radiation therapy and surgical removal of the tumour, is based on pharmacotherapy, which prompts a constant search for new and more effective drugs. There are high
[...] Read more.
Cancer is the second leading cause of death in the world following cardiovascular disease. Its treatment, including radiation therapy and surgical removal of the tumour, is based on pharmacotherapy, which prompts a constant search for new and more effective drugs. There are high costs associated with designing, synthesising, and marketing new substances. Drug repositioning is an attractive solution. Fluoroquinolones make up a group of synthetic antibiotics with a broad spectrum of activity in bacterial diseases. Moreover, those compounds are of particular interest to researchers as a result of reports of their antiproliferative effects on the cells of the most lethal cancers. This article presents the current progress in the development of new fluoroquinolone derivatives with potential anticancer and cytotoxic activity, as well as structure–activity relationships, along with possible directions for further development.
Full article
(This article belongs to the Special Issue Novel Design and Synthesis of Anticancer Agents (Second Edition))
Open AccessReview
Mechanism of Action of Dihydroquercetin in the Prevention and Therapy of Experimental Liver Injury
by
Hewei Wei, Ting Zhao, Xinglong Liu, Qiteng Ding, Junran Yang, Xiaoyu Bi, Zhiqiang Cheng, Chuanbo Ding and Wencong Liu
Molecules 2024, 29(15), 3537; https://doi.org/10.3390/molecules29153537 (registering DOI) - 27 Jul 2024
Abstract
Liver disease is a global health problem that affects the well-being of tens of thousands of people. Dihydroquercetin (DHQ) is a flavonoid compound derived from various plants. Furthermore, DHQ has shown excellent activity in the prevention and treatment of liver injury, such as
[...] Read more.
Liver disease is a global health problem that affects the well-being of tens of thousands of people. Dihydroquercetin (DHQ) is a flavonoid compound derived from various plants. Furthermore, DHQ has shown excellent activity in the prevention and treatment of liver injury, such as the inhibition of hepatocellular carcinoma cell proliferation after administration, the normalization of oxidative indices (like SOD, GSH) in this tissue, and the down-regulation of pro-inflammatory molecules (such as IL-6 and TNF-α). DHQ also exerts its therapeutic effects by affecting molecular pathways such as NF-κB and Nrf2. This paper discusses the latest research progress of DHQ in the treatment of various liver diseases (including viral liver injury, drug liver injury, alcoholic liver injury, non-alcoholic liver injury, fatty liver injury, and immune liver injury). It explores how to optimize the application of DHQ to improve its effectiveness in treating liver diseases, which is valuable for preparing potential therapeutic drugs for human liver diseases in conjunction with DHQ.
Full article
(This article belongs to the Special Issue Probing Pharmacological and Biological Performance of Synthetic and Natural Compounds—2nd Edition)
►▼
Show Figures
Figure 1
Open AccessReview
A Close View of the Production of Bioactive Fungal Metabolites Mediated by Chromatin Modifiers
by
Jacqueline Aparecida Takahashi, Laura Lima de Queiroz and Diogo Montes Vidal
Molecules 2024, 29(15), 3536; https://doi.org/10.3390/molecules29153536 (registering DOI) - 27 Jul 2024
Abstract
Secondary metabolites produced by fungi are well known for their biological properties, which play important roles in medicine. These metabolites aid in managing infections and treating chronic illnesses, thereby contributing substantially to human health improvement. Despite this extensive knowledge, the vast biodiversity and
[...] Read more.
Secondary metabolites produced by fungi are well known for their biological properties, which play important roles in medicine. These metabolites aid in managing infections and treating chronic illnesses, thereby contributing substantially to human health improvement. Despite this extensive knowledge, the vast biodiversity and biosynthetic potential of fungi is still largely unexplored, highlighting the need for further research in natural products. In this review, several secondary metabolites of fungal origin are described, emphasizing novel structures and skeletons. The detection and characterization of these metabolites have been significantly facilitated by advancements in analytical systems, particularly modern hyphenated liquid chromatography/mass spectrometry. These improvements have primarily enhanced sensitivity, resolution, and analysis flow velocity. Since the in vitro production of novel metabolites is often lower than the re-isolation of known metabolites, understanding chromatin-based alterations in fungal gene expression can elucidate potential pathways for discovering new metabolites. Several protocols for inducing metabolite production from different strains are discussed, demonstrating the need for uniformity in experimental procedures to achieve consistent biosynthetic activation.
Full article
(This article belongs to the Section Natural Products Chemistry)
►▼
Show Figures
Figure 1
Open AccessArticle
Mussel-Inspired Multiwalled Carbon Nanotube Nanocomposite for Methyl Orange Removal: Adsorption and Regeneration Behaviors
by
Yongjian Jiang, Erqiang Sun and Fengyang Zhao
Molecules 2024, 29(15), 3535; https://doi.org/10.3390/molecules29153535 (registering DOI) - 27 Jul 2024
Abstract
A mussel-inspired multiwalled carbon nanotube (MWCNT) nanocomposite (MWCNTs@CCh-PEI) was prepared by the co-deposition of catechol (CCh)/polyethyleneimine (PEI) and modification of MWCNTs for the efficient removal of methyl orange (MO). The effects of MO solution pH, contact time, initial MO concentration, and temperature on
[...] Read more.
A mussel-inspired multiwalled carbon nanotube (MWCNT) nanocomposite (MWCNTs@CCh-PEI) was prepared by the co-deposition of catechol (CCh)/polyethyleneimine (PEI) and modification of MWCNTs for the efficient removal of methyl orange (MO). The effects of MO solution pH, contact time, initial MO concentration, and temperature on the adsorption capacity of MWCNTs@CCh-PEI were investigated. The results indicate that the adsorption capacity of MWCNTs@CCh-PEI was two times higher than that of pristine MWCNTs under the same conditions. The adsorption kinetics followed the pseudo-second-order model, suggesting that the adsorption process was chemisorption. The adsorption isotherm shows that the experimental data were fitted well with the Langmuir isotherm model, with a correlation coefficient of 0.9873, indicating that the adsorption process was monolayer adsorption. The theoretical maximum adsorption capacity was determined to be 400.00 mg·g−1. The adsorption thermodynamic data show that the adsorption process was exothermic and spontaneous. More importantly, the adsorption capacity of MWCNTs@CCh-PEI showed no significant decrease after eight reuse cycles. These results demonstrate that MWCNTs@CCh-PEI is expected to be an economical and efficient adsorbent for MO removal.
Full article
(This article belongs to the Special Issue 2D Nanomaterials and Composites for Energy and Environmental Sustainability—2nd Edition)
►▼
Show Figures
Figure 1
Open AccessReview
Research Progress on Detection of Pathogens in Medical Wastewater by Electrochemical Biosensors
by
Bangyao Chen, Jiahuan He, Kewei Tian, Jie Qu, Lihui Hong, Qin Lin, Keda Yang, Lei Ma and Xiaoling Xu
Molecules 2024, 29(15), 3534; https://doi.org/10.3390/molecules29153534 (registering DOI) - 27 Jul 2024
Abstract
The detection of pathogens in medical wastewater is crucial due to the high content of pathogenic microorganisms that pose significant risks to public health and the environment. Medical wastewater, which includes waste from infectious disease and tuberculosis facilities, as well as comprehensive medical
[...] Read more.
The detection of pathogens in medical wastewater is crucial due to the high content of pathogenic microorganisms that pose significant risks to public health and the environment. Medical wastewater, which includes waste from infectious disease and tuberculosis facilities, as well as comprehensive medical institutions, contains a variety of pathogens such as bacteria, viruses, fungi, and parasites. Traditional detection methods like nucleic acid detection and immunological assays, while effective, are often time-consuming, expensive, and not suitable for rapid detection in underdeveloped areas. Electrochemical biosensors offer a promising alternative with advantages including simplicity, rapid response, portability, and low cost. This paper reviews the sources of pathogens in medical wastewater, highlighting specific bacteria (e.g., E. coli, Salmonella, Staphylococcus aureus), viruses (e.g., enterovirus, respiratory viruses, hepatitis virus), parasites, and fungi. It also discusses various electrochemical biosensing techniques such as voltammetry, conductometry, impedance, photoelectrochemical, and electrochemiluminescent biosensors. These technologies facilitate the rapid, sensitive, and specific detection of pathogens, thereby supporting public health and environmental safety. Future research may should pay more attention on enhancing sensor sensitivity and specificity, developing portable and cost-effective devices, and innovating detection methods for diverse pathogens to improve public health protection and environmental monitoring.
Full article
(This article belongs to the Special Issue Electrochemical Sensors and Cells for Environmental Applications)
►▼
Show Figures
Figure 1
Open AccessArticle
Unlocking the Potential of Citrus medica L.: Antioxidant Capacity and Phenolic Profile across Peel, Pulp, and Seeds
by
Ana Rita Soares Mateus, João David Teixeira, Sílvia Cruz Barros, Carina Almeida, Sónia Silva and Ana Sanches-Silva
Molecules 2024, 29(15), 3533; https://doi.org/10.3390/molecules29153533 (registering DOI) - 27 Jul 2024
Abstract
Citrus medica L. is a traditional citrus fruit that is rich in bioactive compounds and has the potential to be used as a natural source of food additives. This study aims to evaluate the antioxidant capacity and characterize the phenolic compounds present in
[...] Read more.
Citrus medica L. is a traditional citrus fruit that is rich in bioactive compounds and has the potential to be used as a natural source of food additives. This study aims to evaluate the antioxidant capacity and characterize the phenolic compounds present in the peels (including flavedo and albedo), pulp, and seeds of citron. The results showed that, compared to the other parts, the pulp had a substantially higher Antioxidant Activity Coefficient (AAC) of 168.2. The albedo and the seeds had significantly lower AAC values, while the green and yellow flavedo showed noteworthy results. O-coumaric acid was the predominant phenolic acid in all of the citron fractions; it was found in the highest concentration in albedo (37.54 µg/g FW). Flavanones and flavanols were the primary flavonoids in the pulp, peel, and seeds, with total flavonoid concentration ranging from ~9 µg/g FW in seeds to 508 µg/g FW in the pulp. This research offers significant insights into the antioxidant properties of this ancient fruit, emphasizing its potential applications as a natural source of antioxidants to be used in different applications.
Full article
(This article belongs to the Special Issue Sustainable Bioactive and Functional Molecules from Agri-Food Waste: A Tour to Applications—2nd Edition)
►▼
Show Figures
Figure 1
Open AccessArticle
Derivatization of Abietane Acids by Peptide-like Substituents Leads to Submicromolar Cytotoxicity at NCI-60 Panel
by
Elena Tretyakova, Anna Smirnova, Denis Babkov and Oxana Kazakova
Molecules 2024, 29(15), 3532; https://doi.org/10.3390/molecules29153532 (registering DOI) - 27 Jul 2024
Abstract
Natural compounds, including diterpenoids, play a critical role in various biological processes and are recognized as valuable components in cancer treatment. Isocyanides multicomponent reactions (IsMCRs) are one of the effective methods to obtain adducts at the carboxyl group with a peptide-like substituent. In
[...] Read more.
Natural compounds, including diterpenoids, play a critical role in various biological processes and are recognized as valuable components in cancer treatment. Isocyanides multicomponent reactions (IsMCRs) are one of the effective methods to obtain adducts at the carboxyl group with a peptide-like substituent. In this study, dehydroabietic acid and levopimaric acid diene adducts as the starting scaffolds were modified by the multicomponent Passerini (P-3CR) and Ugi (U-4CR) reactions to afford α-acyloxycarboxamides and α-acylaminocarboxamides. A group of twenty novel diterpene hybrids was subjected to NCI in vitro assessment, and a consistent structure–activity relationship was established. Eleven of the synthesized derivatives inhibited the growth of cancer cells of 4 to 39 cell lines in one dose assay, and the most active were derivatives 3d, 9d, and 10d holding a fragment of 1a,4a-dehydroquinopimaric acid. They were selected for a five-dose analysis and demonstrated a significant antiproliferative effect towards human cancer cell lines. The outstanding cytotoxic activity was observed for the P-3CR product 3d with growth inhibitory at submicromolar and micromolar concentrations (GI50 = 0.42–3 μM) against the most sensitive cell lines. The U-4CR products 9d and 10d showed selective activity against all leukemia cell lines with GI50 in the range of 1–17 µM and selectivity indexes of 5.49 and 4.72, respectively. Matrix COMPARE analysis using the GI50 vector showed a moderate positive correlation of compound 3d with standard anticancer agents that can influence kinase receptors and epidermal growth factor receptors (EGFRs). The ADMET analysis acknowledges the favorable prognosis using compounds as potential anticancer agents. The obtained results indicate that these new hybrids could be useful for the further development of anticancer drugs, and 1a,4a-dehydroquinopimaric acid derivatives could be recommended for in-depth studies and the synthesis of new antitumor analogs on their basis.
Full article
(This article belongs to the Special Issue Lead Compounds Discovery and Antitumor Drug Design)
►▼
Show Figures
Figure 1
Open AccessBrief Report
Changes in the Sensitivity of MCF-7 and MCF-7/DX Breast Cancer Cells to Cytostatic in the Presence of Metformin
by
Justyna Płonka-Czerw, Luiza Żyrek and Małgorzata Latocha
Molecules 2024, 29(15), 3531; https://doi.org/10.3390/molecules29153531 (registering DOI) - 27 Jul 2024
Abstract
►▼
Show Figures
Multidrug resistance is a serious problem in modern medicine and the reason for the failure of various therapies. A particularly important problem is the occurrence of multidrug resistance in cancer therapies which affects many cancer patients. Observations on the effect of metformin—a well-known
[...] Read more.
Multidrug resistance is a serious problem in modern medicine and the reason for the failure of various therapies. A particularly important problem is the occurrence of multidrug resistance in cancer therapies which affects many cancer patients. Observations on the effect of metformin—a well-known hypoglycemic drug used in the treatment of type 2 diabetes—on cancer cells indicate the possibility of an interaction of this substance with drugs already used and, as a result, an increase in the sensitivity of cancer cells to cytostatics. The aim of this study was to evaluate the effect of metformin on the occurrence of multidrug resistance of breast cancer cells. The MCF-7-sensitive cell line and the MCF-7/DX cytostatic-resistant cell line were used for this study. WST-1 and LDH assays were used to evaluate the effects of metformin and doxorubicin on cell proliferation and viability. The effect of metformin on increasing the sensitivity of MCF-7 and MCF-7/DX cells to doxorubicin was evaluated in an MDR test. The participation of metformin in increasing the sensitivity of resistant cells to the effect of the cytostatic (doxorubicin) has been demonstrated.
Full article
Figure 1
Open AccessArticle
Electrostatic Self-Assembly of CdS Quantum Dots with Co9S8 Hollow Nanotubes for Enhanced Visible Light Photocatalytic H2 Production
by
Yuqing Yan, Yonghui Wu, Chenggen Lu, Yu Wei, Jun Wang, Bo Weng, Wei-Ya Huang, Jia-Lin Zhang, Kai Yang and Kangqiang Lu
Molecules 2024, 29(15), 3530; https://doi.org/10.3390/molecules29153530 (registering DOI) - 26 Jul 2024
Abstract
CdS quantum dots (CdS QDs) are regarded as a promising photocatalyst due to their remarkable response to visible light and suitable placement of conduction bands and valence bands. However, the problem of photocorrosion severely restricts their application. Herein, the CdS QDs-Co9S
[...] Read more.
CdS quantum dots (CdS QDs) are regarded as a promising photocatalyst due to their remarkable response to visible light and suitable placement of conduction bands and valence bands. However, the problem of photocorrosion severely restricts their application. Herein, the CdS QDs-Co9S8 hollow nanotube composite photocatalyst has been successfully prepared by loading Co9S8 nanotubes onto CdS QDs through an electrostatic self-assembly method. The experimental results show that the introduction of Co9S8 cocatalyst can form a stable structure with CdS QDs, and can effectively avoid the photocorrosion of CdS QDs. Compared with blank CdS QDs, the CdS QDs-Co9S8 composite exhibits obviously better photocatalytic hydrogen evolution performance. In particular, CdS QDs loaded with 30% Co9S8 (CdS QDs-30%Co9S8) demonstrate the best photocatalytic performance, and the H2 production rate reaches 9642.7 μmol·g−1·h−1, which is 60.3 times that of the blank CdS QDs. A series of characterizations confirm that the growth of CdS QDs on Co9S8 nanotubes effectively facilitates the separation and migration of photogenerated carriers, thereby improving the photocatalytic hydrogen production properties of the composite. We expect that this work will facilitate the rational design of CdS-based photocatalysts, thereby enabling the development of more low-cost, high-efficiency and high-stability composites for photocatalysis.
Full article
(This article belongs to the Special Issue Green Catalysis Technology for Sustainable Energy Conversion)
Open AccessReview
A Comprehensive Review of Traditional Medicinal Uses, Geographical Distribution, Botanical Characterization, Phytochemistry, and Pharmacology of Aralia continentalis Kitag.
by
Luyun Zhang, Huri Piao and Hao Zang
Molecules 2024, 29(15), 3529; https://doi.org/10.3390/molecules29153529 (registering DOI) - 26 Jul 2024
Abstract
Aralia continentalis Kitag. (A. continentalis) holds significant medicinal value among the Aralia genus. It has traditionally been employed in ethnomedicine to address a wide range of conditions, including wind–cold–dampness arthralgia; rheumatic pain in the waist and lower extremities; lumbar muscular strain;
[...] Read more.
Aralia continentalis Kitag. (A. continentalis) holds significant medicinal value among the Aralia genus. It has traditionally been employed in ethnomedicine to address a wide range of conditions, including wind–cold–dampness arthralgia; rheumatic pain in the waist and lower extremities; lumbar muscular strain; injuries resulting from falls, fractures, contusions, and strains; headache; toothache; and abscesses. Modern pharmacological research has validated its therapeutic potential, encompassing anti-inflammatory, analgesic, antioxidant, antimicrobial, insecticidal, hepatoprotective, anti-diabetic, and cytotoxic properties, among other pharmacological effects. To compile comprehensive knowledge on A. continentalis, a rigorous literature search was undertaken utilizing databases like SciFinder, PubMed, and Web of Science. This review seeks to delve into the plant’s traditional applications, geographical distribution, botanical characteristics, phytochemistry, and pharmacology. The objective is to lay a foundation and propose novel research directions for exploring the plant’s potential applications. Currently, one hundred and fifty-nine compounds have been isolated and identified from A. continentalis, encompassing diterpenoids, steroids, triterpenoids, volatile components, phenolics, vitamins, trace elements, and other compounds. Notably, diterpenoids, steroids, triterpenoids, volatile components, and phenolics have exhibited pronounced pharmacological effects, such as anti-inflammatory, analgesic, antioxidant, hepatoprotective, antidiabetic, and antimicrobial activities. However, despite the extensive research conducted, further studies are imperative to unravel new components and mechanisms of action, necessitating more in-depth investigations. This comprehensive exploration could pave the way for advancing and harnessing the potential of A. continentalis.
Full article
(This article belongs to the Special Issue Medicinal Value of Natural Bioactive Compounds and Plant Extracts II)
►▼
Show Figures
Figure 1
Open AccessArticle
A Series of Novel 1-H-isoindole-1,3(2H)-dione Derivatives as Acetylcholinesterase and Butyrylcholinesterase Inhibitors: In Silico, Synthesis and In Vitro Studies
by
Edward Krzyżak, Aleksandra Marciniak, Dominika Szkatuła, Klaudia A. Jankowska, Natalia Dobies and Aleksandra Kotynia
Molecules 2024, 29(15), 3528; https://doi.org/10.3390/molecules29153528 (registering DOI) - 26 Jul 2024
Abstract
The derivatives of isoindoline-1,3-dione are interesting due to their biological activities, such as anti-inflammatory and antibacterial effects. Several series have been designed and evaluated for Alzheimer’s therapy candidates. They showed promising activity. In this work, six new derivatives were first tested in in
[...] Read more.
The derivatives of isoindoline-1,3-dione are interesting due to their biological activities, such as anti-inflammatory and antibacterial effects. Several series have been designed and evaluated for Alzheimer’s therapy candidates. They showed promising activity. In this work, six new derivatives were first tested in in silico studies for their inhibitory ability against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes. Molecular docking and molecular dynamic simulation were applied. Next, these compounds were synthesized and characterized by 1H NMR, 13C NMR, FT-IR, and ESI–MS techniques. For all imides, the inhibitory activity against AChE and BuChE was tested using Ellaman’s method. IC50 values were determined. The best results were obtained for the derivative I, with a phenyl substituent at position 4 of piperazine, IC50 = 1.12mM (AChE) and for the derivative III, with a diphenylmethyl moiety, with IC50 = 21.24 μM (BuChE). The compounds tested in this work provide a solid basis for further structural modifications, leading to the effective design of potential inhibitors of both cholinesterases.
Full article
(This article belongs to the Special Issue Heterocycles: Design, Synthesis and Biological Evaluation, 2nd Edition)
Journal Menu
► ▼ Journal Menu-
- Molecules Home
- Aims & Scope
- Editorial Board
- Reviewer Board
- Topical Advisory Panel
- Instructions for Authors
- Special Issues
- Topics
- Sections & Collections
- Article Processing Charge
- Indexing & Archiving
- Editor’s Choice Articles
- Most Cited & Viewed
- Journal Statistics
- Journal History
- Journal Awards
- Society Collaborations
- Conferences
- Editorial Office
Journal Browser
► ▼ Journal Browser-
arrow_forward_ios
Forthcoming issue
arrow_forward_ios Current issue - Vol. 29 (2024)
- Vol. 28 (2023)
- Vol. 27 (2022)
- Vol. 26 (2021)
- Vol. 25 (2020)
- Vol. 24 (2019)
- Vol. 23 (2018)
- Vol. 22 (2017)
- Vol. 21 (2016)
- Vol. 20 (2015)
- Vol. 19 (2014)
- Vol. 18 (2013)
- Vol. 17 (2012)
- Vol. 16 (2011)
- Vol. 15 (2010)
- Vol. 14 (2009)
- Vol. 13 (2008)
- Vol. 12 (2007)
- Vol. 11 (2006)
- Vol. 10 (2005)
- Vol. 9 (2004)
- Vol. 8 (2003)
- Vol. 7 (2002)
- Vol. 6 (2001)
- Vol. 5 (2000)
- Vol. 4 (1999)
- Vol. 3 (1998)
- Vol. 2 (1997)
- Volumes not published by MDPI
Highly Accessed Articles
Latest Books
E-Mail Alert
News
Topics
Topic in
Molecules, Separations, Sustainability, Water, Minerals
Analysis and Separations of Trace Elements in the Environment
Topic Editors: Gene Hall, Begoña GonzálezDeadline: 31 July 2024
Topic in
Analytica, Molecules, Nanomaterials, Polymers, Separations, Chemosensors
Nanomaterials in Green Analytical Chemistry
Topic Editors: George Zachariadis, Rosa Peñalver, Natalia ManousiDeadline: 15 August 2024
Topic in
Analytica, Metabolites, Separations, Toxins, Molecules
Application of Chromatography for Point of Care Diagnosis of Noncommunicable Diseases
Topic Editors: Chiranjit Ghosh, Liqin Chen, Keshava Balakrishna, Chiranjay MukhopadhyayDeadline: 31 August 2024
Topic in
Biomolecules, Cells, IJMS, Metabolites, Molecules
Bioactive Compounds and Therapeutics: Molecular Aspects, Metabolic Profiles, and Omics Studies
Topic Editors: Giovanni N. Roviello, Michele CostanzoDeadline: 20 September 2024
Conferences
Special Issues
Special Issue in
Molecules
Advances in Metal Oxide Nanoparticles
Guest Editor: Nadine MillotDeadline: 31 July 2024
Special Issue in
Molecules
Liquid Crystals II
Guest Editors: Viorel Circu, Doina Manaila-Maximean, Valery A. LoikoDeadline: 15 August 2024
Special Issue in
Molecules
Materials for Emerging Electrochemical Devices
Guest Editor: Maria Manuela SilvaDeadline: 31 August 2024
Special Issue in
Molecules
Recent Advances of Hydrogen Storage Hydride Materials
Guest Editor: Thi Thu LeDeadline: 1 September 2024
Topical Collections
Topical Collection in
Molecules
Ultrasound- and Microwave-Assisted Extraction of Bioactive Compounds
Collection Editors: Stela Jokić, Jelena Vladić
Topical Collection in
Molecules
Novel Approache of Anticancer Therapy
Collection Editor: Isabelle Mus-Veteau