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
Catalytic Degradation of Bisphenol A with a Magnetically Recoverable Geopolymer Composite Using Coal Gangue
Molecules 2024, 29(15), 3657; https://doi.org/10.3390/molecules29153657 (registering DOI) - 2 Aug 2024
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The widespread presence and use of Bisphenol A (BPA) in aquatic environments has caused significant ecological damage. Coal gangue (CG), a byproduct of coal mining, poses a major environmental concern due to its vast land occupation and potential for pollution. A magnetic recyclable
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The widespread presence and use of Bisphenol A (BPA) in aquatic environments has caused significant ecological damage. Coal gangue (CG), a byproduct of coal mining, poses a major environmental concern due to its vast land occupation and potential for pollution. A magnetic recyclable geopolymer (MnFe2O4-CGP) using coal gangue geopolymer (CGP) as the carrier was successfully synthesized and was evaluated for its ability to Fenton-like degrade BPA. The characterization techniques revealed the successful incorporation of spherical MnFe2O4 onto the CGP surface and that CGP serves as an excellent platform for the immobilization and dispersion of MnFe2O4. The degradation rate reached 100% within 60 min at pH = 5, 15 mmol/L H2O2, 0.6 g/L catalyst, and 50 mg/L BPA, significantly higher than MnFe2O4 and CGP alone. It was indicated that the degradation rate of BPA in MnFe2O4-CGP composites was 0.1121 min−1, which was consistent with the first-order kinetic model. The saturation magnetization of MnFe2O4-CGP was measured to be 10.96 emu/g, enabling convenient recovery. MnFe2O4-CGP exhibited excellent stability, as the degradation rate of BPA remained above 95% even after five reaction cycles. This efficiency may be due to the MnFe2O4-CGP induced generation of reactive radicals. Quenching and EPR radical trapping experiments unequivocally confirmed that the reactive radical was hydroxyl radical (•OH). These results indicate that MnFe2O4-CGP has potential application prospects as a magnetic recyclable geopolymer composite in Fenton-like catalysis.
Full article
Open AccessArticle
Injecting Sustainability into Epoxy-Based Composite Materials by Using Bio-Binder from Hydrothermal Liquefaction Processing of Microalgae
by
Philip Agbo, Abhijeet Mali, Ajit D. Kelkar, Lijun Wang and Lifeng Zhang
Molecules 2024, 29(15), 3656; https://doi.org/10.3390/molecules29153656 - 1 Aug 2024
Abstract
We report a transformative epoxy system with a microalgae-derived bio-binder from hydrothermal liquefaction processing (HTL). The obtained bio-binder not only served as a curing agent for conventional epoxy resin (e.g., EPON 862), but also acted as a modifying agent to enhance the thermal
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We report a transformative epoxy system with a microalgae-derived bio-binder from hydrothermal liquefaction processing (HTL). The obtained bio-binder not only served as a curing agent for conventional epoxy resin (e.g., EPON 862), but also acted as a modifying agent to enhance the thermal and mechanical properties of the conventional epoxy resin. This game-changing epoxy/bio-binder system outperformed the conventional epoxy/hardener system in thermal stability and mechanical properties. Compared to the commercial EPON 862/EPIKURE W epoxy product, our epoxy/bio-binder system (35 wt.% bio-binder addition with respect to the epoxy) increased the temperature of 60% weight loss from 394 °C to 428 °C and the temperature of maximum decomposition rate from 382 °C to 413 °C, while the tensile, flexural, and impact performance of the cured epoxy improved in all cases by up to 64%. Our research could significantly impact the USD 38.2 billion global market of the epoxy-related industry by not only providing better thermal and mechanical performance of epoxy-based composite materials, but also simultaneously reducing the carbon footprint from the epoxy industry and relieving waste epoxy pollution.
Full article
(This article belongs to the Special Issue Synthesis, Characterization and Application of Polymer-Based Materials)
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Open AccessArticle
Antioxidant Properties of Green Plants with Different Vitamin K Contents
by
Iryna Bryshten, Łukasz Paprotny, Małgorzata Olszowy-Tomczyk and Dorota Wianowska
Molecules 2024, 29(15), 3655; https://doi.org/10.3390/molecules29153655 - 1 Aug 2024
Abstract
Vitamin K, as a natural protector of our blood, bones, kidneys, and brain, is essential for human health. It is also considered an effective anti-aging agent with comprehensive biological effects, including antifungal, antibacterial, anti-inflammatory, analgesic, and even antioxidant properties. Of these, the least
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Vitamin K, as a natural protector of our blood, bones, kidneys, and brain, is essential for human health. It is also considered an effective anti-aging agent with comprehensive biological effects, including antifungal, antibacterial, anti-inflammatory, analgesic, and even antioxidant properties. Of these, the least is known about the antioxidant properties of natural vitamin K. To fill this gap, this study compared the antioxidant properties of extracts obtained from commonly consumed green plants with different vitamin K contents with the activity of vitamin K standard solutions at concentrations corresponding to the vitamin K contents in the extracts. Various measurement methods were used in the research (i.e., DPPH, FRAP, CUPRAC, and the β-carotene bleaching test). Among the tested methods, the β-carotene bleaching test is the most sensitive in the assessment of this unusual compound. In light of the data presented, the antioxidant response of vitamin K alone is dose-dependent. However, in extracts, the activity of this compound is modulated by other constituents present in them. As a result, the activity does not always correlate with vitamin K content. The presented data supplement the knowledge about the antioxidant properties with the contribution resulting from the presence of vitamin K in green plant extracts.
Full article
(This article belongs to the Special Issue Medicinal Value of Natural Bioactive Compounds and Plant Extracts II)
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Open AccessArticle
LaMnO3-Type Perovskite Nanofibers as Effective Catalysts for On-Cell CH4 Reforming via Solid Oxide Fuel Cells
by
Yangbo Jia, Tong Wei, Zhufeng Shao, Yunpeng Song, Xue Huang, Beila Huang, Chen Cao and Yufan Zhi
Molecules 2024, 29(15), 3654; https://doi.org/10.3390/molecules29153654 - 1 Aug 2024
Abstract
CH4 has become the most attractive fuel for solid oxide fuel cells due to its wide availability, narrow explosion limit range, low price, and easy storage. Thus, we present the concept of on-cell reforming via SOFC power generation, in which CH4
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CH4 has become the most attractive fuel for solid oxide fuel cells due to its wide availability, narrow explosion limit range, low price, and easy storage. Thus, we present the concept of on-cell reforming via SOFC power generation, in which CH4 and CO2 can be converted into H2 and the formed H2 is electrochemically oxidized on a Ni-BZCYYb anode. We modified the porosity and specific surface area of a perovskite reforming catalyst via an optimized electrostatic spinning method, and the prepared LCMN nanofibers, which displayed an ideal LaMnO3-type perovskite structure with a high specific surface area, were imposed on a conventional Ni-BZCYYb anode for on-cell CH4 reforming. Compared to LCMN nanoparticles used as on-cell reforming catalysts, the NF-SOFC showed lower ohmic and polarization resistances, indicating that the porous nanofibers could reduce the resistances of fuel gas transport and charge transport in the anode. Accordingly, the NF-SOFC displayed a maximum power density (MPD) of 781 mW cm−2 and a stable discharge voltage of around 0.62 V for 72 h without coking in the Ni-BZCYYb anode. The present LCMN NF materials and on-cell reforming system demonstrated stability and potential for highly efficient power generation with hydrocarbon fuels.
Full article
(This article belongs to the Special Issue Transition Metal Compounds: Challenges and Breakthrough)
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Open AccessFeature PaperReview
A Phenotypic Approach to the Discovery of Potent G-Quadruplex Targeted Drugs
by
Stephen Neidle
Molecules 2024, 29(15), 3653; https://doi.org/10.3390/molecules29153653 - 1 Aug 2024
Abstract
G-quadruplex (G4) sequences, which can fold into higher-order G4 structures, are abundant in the human genome and are over-represented in the promoter regions of many genes involved in human cancer initiation, progression, and metastasis. They are plausible targets for G4-binding small molecules, which
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G-quadruplex (G4) sequences, which can fold into higher-order G4 structures, are abundant in the human genome and are over-represented in the promoter regions of many genes involved in human cancer initiation, progression, and metastasis. They are plausible targets for G4-binding small molecules, which would, in the case of promoter G4s, result in the transcriptional downregulation of these genes. However, structural information is currently available on only a very small number of G4s and their ligand complexes. This limitation, coupled with the currently restricted information on the G4-containing genes involved in most complex human cancers, has led to the development of a phenotypic-led approach to G4 ligand drug discovery. This approach was illustrated by the discovery of several generations of tri- and tetra-substituted naphthalene diimide (ND) ligands that were found to show potent growth inhibition in pancreatic cancer cell lines and are active in in vivo models for this hard-to-treat disease. The cycles of discovery have culminated in a highly potent tetra-substituted ND derivative, QN-302, which is currently being evaluated in a Phase 1 clinical trial. The major genes whose expression has been down-regulated by QN-302 are presented here: all contain G4 propensity and have been found to be up-regulated in human pancreatic cancer. Some of these genes are also upregulated in other human cancers, supporting the hypothesis that QN-302 is a pan-G4 drug of potential utility beyond pancreatic cancer.
Full article
(This article belongs to the Special Issue Bioorganic Chemistry in Europe)
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Open AccessArticle
Chirality Sensing of Amino Acid Esters by S-2-Methylbutanamido-Substituted m-Phthalic Diamide-Linked Zinc Bisporphyrinate
by
Zhipeng Li, Yue Zhao, Yong Wang, Wen-Hua Zhang and Chuanjiang Hu
Molecules 2024, 29(15), 3652; https://doi.org/10.3390/molecules29153652 - 1 Aug 2024
Abstract
To understand the role of an additional coordination site in the linker in chirality sensing, we designed and synthesized an S-2-methylbutanamido-substituted m-phthalic diamide-linked zinc bisporphyrinate, [Zn2(S-MAABis)] and investigated its ability to sense the chirality of amino acid esters. The 1
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To understand the role of an additional coordination site in the linker in chirality sensing, we designed and synthesized an S-2-methylbutanamido-substituted m-phthalic diamide-linked zinc bisporphyrinate, [Zn2(S-MAABis)] and investigated its ability to sense the chirality of amino acid esters. The 1H NMR spectra and the crystal structure showed that the amido oxygen adjacent to the chiral carbon was coordinated with zinc. NMR and UV–vis titration showed that the binding of [Zn2(S-MAABis)] to amino acid esters occurred via two equilibria, forming 1:1 and 1:2 host–guest complexes. The CD spectra suggested that [Zn2(S-MAABis)] can effectively recognize the absolute configuration of amino acid esters. The sign of the CD spectra remained unchanged during the titration, indicating that the corresponding 1:1 and 1:2 host–guest complexes had the same chirality. This is different from previously studied amino-substituted m-phthalic diamide-linked zinc bisporphyrinate [Zn2(AmBis)], which showed chirality inversion during titration. Theoretical calculations indicated that the additional coordination sites (amido or amino) in the 1:1 host–guest complexes played different roles, leading to differences in chirality. Our studies suggest that the introduction of a coordination site can influence the chirality transfer process, but the results of chirality transfers are dependent on the specific binding modes.
Full article
(This article belongs to the Special Issue Novel Synthetic Macrocycles: Synthesis, Structures, Properties and Applications)
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Open AccessReview
Kinetic Aspects of Esterification and Transesterification in Microstructured Reactors
by
Xingjun Yao, Zhenxue Wang, Ming Qian, Qiulin Deng and Peiyong Sun
Molecules 2024, 29(15), 3651; https://doi.org/10.3390/molecules29153651 - 1 Aug 2024
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Microstructured reactors offer fast chemical engineering transfer and precise microfluidic control, enabling the determination of reactions’ kinetic parameters. This review examines recent advancements in measuring microreaction kinetics. It explores kinetic modeling, reaction mechanisms, and intrinsic kinetic equations pertaining to two types of microreaction:
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Microstructured reactors offer fast chemical engineering transfer and precise microfluidic control, enabling the determination of reactions’ kinetic parameters. This review examines recent advancements in measuring microreaction kinetics. It explores kinetic modeling, reaction mechanisms, and intrinsic kinetic equations pertaining to two types of microreaction: esterification and transesterification reactions involving acids, bases, or biocatalysts. The utilization of a micro packed-bed reactor successfully achieves a harmonious combination of the micro-dispersion state and the reaction kinetic characteristics. Additionally, this review presents micro-process simulation software and explores the advanced integration of microreactors with spectroscopic analyses for reaction monitoring and data acquisition. Furthermore, it elaborates on the control principles of the micro platform. The superiority of online measurement, automation, and the digitalization of the microreaction process for kinetic measurements is highlighted, showcasing the vast prospects of artificial intelligence applications.
Full article
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Open AccessArticle
Synthesis of Pd-Doped SnO2 and Flower-like Hierarchical Structures for Efficient and Rapid Detection of Ethanolamine
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Wenjie Bi, Jinmiao Zhu, Bin Zheng, Shantang Liu and Lilong Zhang
Molecules 2024, 29(15), 3650; https://doi.org/10.3390/molecules29153650 - 1 Aug 2024
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In this study, we successfully synthesized a Pd-doped SnO2 (Pd-SnO2) material with a flower-like hierarchical structure using the solvothermal method. The material’s structural proper-ties were characterized employing techniques such as XRD, XPS, FESEM and HRTEM. A gas sensor fabricated from
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In this study, we successfully synthesized a Pd-doped SnO2 (Pd-SnO2) material with a flower-like hierarchical structure using the solvothermal method. The material’s structural proper-ties were characterized employing techniques such as XRD, XPS, FESEM and HRTEM. A gas sensor fabricated from the 2.0 mol% Pd-SnO2 material demonstrated exceptional sensitivity (Ra/Rg = 106) to 100 ppm ethanolamine at an operating temperature of 150 °C, with rapid response/recovery times of 10 s and 12 s, respectively, along with excellent linearity, selectivity, and stability, and a detection limit down to 1 ppm. The superior gas-sensing performance is attributed to the distinctive flower-like hierarchical architecture of the Pd-SnO2 and the lattice distortions introduced by Pd doping, which substantially boost the material’s sensing characteristics. Further analysis using density functional theory (DFT) has revealed that within the Pd-SnO2 system, Sn exhibits strong affinities for O and N, leading to high adsorption energies for ethanolamine, thus enhancing the system’s selectivity and sensitivity to ethanolamine gas. This research introduces a novel approach for the efficient and rapid detection of ethanolamine gas.
Full article
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Open AccessArticle
New Glycotoxin Inhibitor from Sesuvium sesuvioides Mitigates Symptoms of Insulin Resistance and Diabetes by Suppressing AGE-RAGE Axis in Skeletal Muscle
by
Safina Ghaffar, Rizwana Sanaullah Waraich, Raha Orfali, Areej Al-Taweel, Hanan Y. Aati, Sonia Kamran and Shagufta Perveen
Molecules 2024, 29(15), 3649; https://doi.org/10.3390/molecules29153649 - 1 Aug 2024
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The current study intended to investigate the role of new natural compounds derived from the Sesuvium sesuvioides plant in mitigating symptoms of diabetes and insulin resistance in the diabetic mice model. Anti-advanced glycation activity, insulin, and adiponectin were quantified by enzyme-linked immunosorbent assay
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The current study intended to investigate the role of new natural compounds derived from the Sesuvium sesuvioides plant in mitigating symptoms of diabetes and insulin resistance in the diabetic mice model. Anti-advanced glycation activity, insulin, and adiponectin were quantified by enzyme-linked immunosorbent assay (ELISA). Glucose uptake was performed using enzymatic fluorescence assay, and glycogen synthesis was measured using PAS staining. Gene and protein expression was assessed using real time PCR (RT-PCR), and immunoblotting and fluorescent microscopy, respectively. The new flavonoid glycoside eupalitin 3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside 1 isolated from S. sesuvioides exhibited anti-AGE activity by reducing human glycated albumin in liver cells. In a diabetic mouse model treated with compound 1, we observed improved glucose tolerance, increased adiponectin levels, and decreased insulin resistance. We also observed alleviated AGEs induced reduction in glucose uptake and restored glycogen synthesis in the compound 1-treated diabetic mice muscles. Exploring the molecular mechanism of action in skeletal muscle tissue of diabetic mice, we found that 1 reduced AGE-induced reactive oxygen species and the inflammatory gene in the muscle of diabetic mice. Additionally, 1 exhibited these effects by reducing the gene and protein expression of receptor for advanced glycation end products (RAGE) and inhibiting protein kinase C (PKC) delta activation. This further led us to demonstrate that compound 1 reduced serine phosphorylation of IRS-1, thereby restoring insulin sensitivity. We conclude that a new flavonoid glycoside from S. sesuvioides could be a therapeutic target for the treatment of symptoms of insulin resistance and diabetes.
Full article
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Open AccessArticle
Cheminformatics-Guided Exploration of Synthetic Marine Natural Product-Inspired Brominated Indole-3-Glyoxylamides and Their Potentials for Drug Discovery
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Darren C. Holland, Dale W. Prebble, Mark J. Calcott, Wayne A. Schroder, Francesca Ferretti, Aaron Lock, Vicky M. Avery, Milton J. Kiefel and Anthony R. Carroll
Molecules 2024, 29(15), 3648; https://doi.org/10.3390/molecules29153648 - 1 Aug 2024
Abstract
Marine natural products (MNPs) continue to be tested primarily in cellular toxicity assays, both mammalian and microbial, despite most being inactive at concentrations relevant to drug discovery. These MNPs become missed opportunities and represent a wasteful use of precious bioresources. The use of
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Marine natural products (MNPs) continue to be tested primarily in cellular toxicity assays, both mammalian and microbial, despite most being inactive at concentrations relevant to drug discovery. These MNPs become missed opportunities and represent a wasteful use of precious bioresources. The use of cheminformatics aligned with published bioactivity data can provide insights to direct the choice of bioassays for the evaluation of new MNPs. Cheminformatics analysis of MNPs found in MarinLit (n = 39,730) up to the end of 2023 highlighted indol-3-yl-glyoxylamides (IGAs, n = 24) as a group of MNPs with no reported bioactivities. However, a recent review of synthetic IGAs highlighted these scaffolds as privileged structures with several compounds under clinical evaluation. Herein, we report the synthesis of a library of 32 MNP-inspired brominated IGAs (25–56) using a simple one-pot, multistep method affording access to these diverse chemical scaffolds. Directed by a meta-analysis of the biological activities reported for marine indole alkaloids (MIAs) and synthetic IGAs, the brominated IGAs 25–56 were examined for their potential bioactivities against the Parkinson’s Disease amyloid protein alpha synuclein (α-syn), antiplasmodial activities against chloroquine-resistant (3D7) and sensitive (Dd2) parasite strains of Plasmodium falciparum, and inhibition of mammalian (chymotrypsin and elastase) and viral (SARS-CoV-2 3CLpro) proteases. All of the synthetic IGAs tested exhibited binding affinity to the amyloid protein α-syn, while some showed inhibitory activities against P. falciparum, and the proteases, SARS-CoV-2 3CLpro, and chymotrypsin. The cellular safety of the IGAs was examined against cancerous and non-cancerous human cell lines, with all of the compounds tested inactive, thereby validating cheminformatics and meta-analyses results. The findings presented herein expand our knowledge of marine IGA bioactive chemical space and advocate expanding the scope of biological assays routinely used to investigate NP bioactivities, specifically those more suitable for non-toxic compounds. By integrating cheminformatics tools and functional assays into NP biological testing workflows, we can aim to enhance the potential of NPs and their scaffolds for future drug discovery and development.
Full article
(This article belongs to the Special Issue Recent Advances in the Organic Synthesis of Bioactive Compounds)
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Open AccessArticle
Design, Synthesis, and Biological Evaluations of Novel Thiazolo[4,5-d]pyrimidine Corticotropin Releasing Factor (CRF) Receptor Antagonists as Potential Treatments for Stress Related Disorders and Congenital Adrenal Hyperplasia (CAH)
by
Md Rabiul Islam, Christos Markatos, Ioannis Pirmettis, Minas Papadopoulos, Vlasios Karageorgos, George Liapakis and Hesham Fahmy
Molecules 2024, 29(15), 3647; https://doi.org/10.3390/molecules29153647 - 1 Aug 2024
Abstract
Corticotropin-releasing factor (CRF) is a key neuropeptide hormone that is secreted from the hypothalamus. It is the master hormone of the HPA axis, which orchestrates the physiological and behavioral responses to stress. Many disorders, including anxiety, depression, addiction relapse, and others, are related
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Corticotropin-releasing factor (CRF) is a key neuropeptide hormone that is secreted from the hypothalamus. It is the master hormone of the HPA axis, which orchestrates the physiological and behavioral responses to stress. Many disorders, including anxiety, depression, addiction relapse, and others, are related to over-activation of this system. Thus, new molecules that may interfere with CRF receptor binding may be of value to treat neuropsychiatric stress-related disorders. Also, CRF1R antagonists have recently emerged as potential treatment options for congenital adrenal hyperplasia. Previously, several series of CRF1 receptor antagonists were developed by our group. In continuation of our efforts in this direction, herein we report the synthesis and biological evaluation of a new series of CRF1R antagonists. Representative compounds were evaluated for their binding affinities compared to antalarmin. Four compounds (2, 5, 20, and 21) showed log IC50 values of −8.22, −7.95, −8.04, and −7.88, respectively, compared to −7.78 for antalarmin. This result indicates that these four compounds are superior to antalarmin by 2.5, 1.4, 1.7, and 1.25 times, respectively. It is worth mentioning that compound 2, in terms of IC50, is among the best CRF1R antagonists ever developed in the last 40 years. The in silico physicochemical properties of the lead compounds showed good drug-like properties. Thus, further research in this direction may lead to better and safer CRF receptor antagonists that may have clinical applications, particularly for stress-related disorders and the treatment of congenital adrenal hyperplasia.
Full article
(This article belongs to the Special Issue Design, Synthesis and Biological Evaluation of Medicinal Potential Compounds)
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Open AccessArticle
Thermal and/or Microwave Treatment: Insight into the Preparation of Titania-Based Materials for CO2 Photoreduction to Green Chemicals
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Iwona Pełech, Daniel Sibera, Piotr Staciwa, Konrad Sobczuk, Ewelina Kusiak-Nejman, Agnieszka Wanag, Antoni W. Morawski, Kenneth Schneider, Richard Blom and Urszula Narkiewicz
Molecules 2024, 29(15), 3646; https://doi.org/10.3390/molecules29153646 - 1 Aug 2024
Abstract
Titanium dioxide was synthesized via hydrolysis of titanium (IV) isopropoxide using a sol–gel method, under neutral or basic conditions, and heated in the microwave-assisted solvothermal reactor and/or high-temperature furnace. The phase composition of the prepared samples was determined using the X-ray diffraction method.
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Titanium dioxide was synthesized via hydrolysis of titanium (IV) isopropoxide using a sol–gel method, under neutral or basic conditions, and heated in the microwave-assisted solvothermal reactor and/or high-temperature furnace. The phase composition of the prepared samples was determined using the X-ray diffraction method. The specific surface area and pore volumes were determined through low-temperature nitrogen adsorption/desorption studies. The photoactivity of the samples was tested through photocatalytic reduction of carbon dioxide. The composition of the gas phase was analyzed using gas chromatography, and hydrogen, carbon oxide, and methane were identified. The influence of pH and heat treatment on the physicochemical properties of titania-based materials during photoreduction of carbon dioxide have been studied. It was found that the photocatalysts prepared in neutral environment were shown to result in a higher content of hydrogen, carbon monoxide, and methane in the gas phase compared to photocatalysts obtained under basic conditions. The highest amounts of hydrogen were detected in the processes using photocatalysts heated in the microwave reactor, and double-heated photocatalysts.
Full article
(This article belongs to the Special Issue Porous and Nanoporous Materials in Heterogeneous Catalysis)
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Open AccessArticle
Characterization of Ancient Cereals Cultivated by Intensive and Organic Procedures for Element Content
by
Marta Radaelli, Elisa Scalabrin, Marco Roman, Gabriella Buffa, Irene Griffante and Gabriele Capodaglio
Molecules 2024, 29(15), 3645; https://doi.org/10.3390/molecules29153645 - 1 Aug 2024
Abstract
According to their nutritional value, their ability to adapt to the various environmental conditions, and their versatility, cereals are among the most cultivated plants in the world. However, the ongoing climate changes subject crops to important environmental stress that for some varieties leads
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According to their nutritional value, their ability to adapt to the various environmental conditions, and their versatility, cereals are among the most cultivated plants in the world. However, the ongoing climate changes subject crops to important environmental stress that for some varieties leads to high production losses. Therefore, the selection of species and varieties that are more versatile and adaptable to different environmental conditions can be important. However, the characteristics of some cereals are not completely known; this is a priority before aiming to improve their cultivation. The aim of this study is to characterize select species that are potentially suitable for local environmental conditions and that possess nutritional value. The elemental composition was assessed in different cereal species grown following intensive and organic agriculture practices. Six species were grown for this study with techniques of intensive agriculture: Triticum monococcum L., Triticum dicoccum L., Triticum aestivum L., variety Verna, Triticum durum Desf., variety Senatore Cappelli, Triticum durum Desf., variety Claudio, and Avena strigosa Schreb.; four of these were also grown following organic procedures: Triticum monococcum L., Triticum dicoccum L., Triticum aestivum L., variety Verna, and Triticum durum Desf., variety Senatore Cappelli. The study considered twenty elements, including major nutrients (Ca, K, Mg, P, and S), seven micronutrients (B, Cu, Fe, Mn, Mo, Se, and Zn), and trace elements with toxic properties (Al, Ba, Cd, Cr, Na, Rb, Sc, and Sr) that can be accumulated at the seed level. The results highlight the differences in the element concentrations in the cereal seeds in relation to the genus and species; the highest concentrations of the major nutrients appeared in T. monococcum; the concentrations were 6.9, 2.09, 7.2, and 2.9 mg/g for K, Mg, P, and S, respectively. The highest concentrations of certain micronutrients, B, Ca, Mo, and Se (16, 785, 3.69, and 0.34 μg/g), were in A. strigosa. There is also evidence that the element content can be affected by the adopted cultivation procedure; however, the effects of the growing procedure can be significantly different when different species are considered. T. monococcum, grown by an organic procedure, presented lower concentrations of the major nutrients, while it demonstrated a modest increase in the micronutrients in the T. durum variety organic S. Cappelli, and the production procedure did not affect the elemental composition of the T. aestivum variety Verna. The survey also highlights that the studied species and the growing procedure affected the capacity to accumulate and translocate trace hazardous elements for human health at the seed level.
Full article
(This article belongs to the Special Issue Determination of Trace Heavy Metals and Metalloids in Environmental and Food Samples II)
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Open AccessArticle
[BMIM][X] Ionic Liquids Supported on a Pillared-Layered Metal–Organic Framework: Synthesis, Characterization, and Adsorption Properties
by
Yaiza Martín-García, Jesús Tapiador, Gisela Orcajo, Juan Ayala and Ana B. Lago
Molecules 2024, 29(15), 3644; https://doi.org/10.3390/molecules29153644 - 1 Aug 2024
Abstract
Combining ionic liquids (ILs) and metal–organic frameworks (MOFs) can be an intriguing opportunity to develop advanced materials with different adsorption capabilities for environmental applications. This study reports the preparation and characterization of a 3D pillared-layered compound, namely, [Zn2(tz)2(bdc)] (CIM91),
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Combining ionic liquids (ILs) and metal–organic frameworks (MOFs) can be an intriguing opportunity to develop advanced materials with different adsorption capabilities for environmental applications. This study reports the preparation and characterization of a 3D pillared-layered compound, namely, [Zn2(tz)2(bdc)] (CIM91), formed by 1,2,4-triazole (Htz) and 1,4-benzenedicarboxylic acid (H2bdc) ligands. Then, various loadings of the water-stable and hydrophobic IL, 1-n-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]), and the water-soluble 1-n-butyl-3-methylimidazolium chloride ([BMIM][Cl]) were incorporated into CIM91. Detailed characterization by X-ray powder diffraction (XRD), FT-IR spectra, scanning electron microscopy (SEM), Energy dispersive X-ray (EDX) analysis, N2 adsorption measurements, and thermogravimetric analysis confirmed the formation of [BMIM][X]/CIM91 composites and the structural stability of the MOF after the incorporation of the ionic liquids. CO2 adsorption–desorption analysis was experimentally carried out for all the materials at 298 K and 318 K, demonstrating a great enhancement in the CO2 adsorption properties of the sole MOF CIM91, particularly by including [BMIM][PF6] species in its structure with a double isosteric heat of CO2 adsorption. The composites were also tested for the adsorption of methylene blue (MB) dye. The results indicate that the incorporation of [BMIM][X] into CIM91 can substantially modify the adsorption properties of the MOF. The influence of the nature of the [BMIM][X] anions on these properties has also been analyzed.
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(This article belongs to the Special Issue Recent Advances in Metal–Organic Frameworks)
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Open AccessArticle
Determination of Cotinine, 3′-Hydroxycotinine and Nicotine 1′-Oxide in Urine of Passive and Active Young Smokers by LC-Orbitrap-MS/MS Technique
by
Magdalena Szumska, Paweł Mroczek, Krystyna Tyrpień-Golder, Beata Pastuszka and Beata Janoszka
Molecules 2024, 29(15), 3643; https://doi.org/10.3390/molecules29153643 - 1 Aug 2024
Abstract
Tobacco smoke is probably the most significant factor conducing to toxic xenobiotics exposure to humans. The aim of the study was to develop a rapid and sensitive method for the determination of selected nicotine metabolites in urine of tobacco smokers and passive smokers.
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Tobacco smoke is probably the most significant factor conducing to toxic xenobiotics exposure to humans. The aim of the study was to develop a rapid and sensitive method for the determination of selected nicotine metabolites in urine of tobacco smokers and passive smokers. The method for removing protein and extracting the metabolites involved the centrifugation of urine with acetonitrile. Cotinine, trans-3′-hydroxycotinine, and (2′S)-nicotine 1’-oxide in the supernatant were determined using the LC-Orbitrap-MS/MS technique, with the selected ion monitoring (SIM) and parallel reaction monitoring (PRM) modes used. The recovery of these analytes added to the urine samples ranged from 72% to 101%. Repeatability and reproducibility were less than 3.1% and 10.1%, respectively. The study was carried out among medical students. The group was selected as representatives of young people and who as future physicians should be more aware of the effects of nicotine use. Concentration levels of cotinine and trans-3′-hydroxycotinine determined in ng/mL in the urine of cigarette smokers were 70- and 58-fold higher, respectively, compared to passive smokers. Higher concentrations were recorded in the urine of those passively exposed to tobacco smoke than in non-smokers, confirming that passive exposure to tobacco smoke is not harmless to the human body. However, no significant differences were observed in the concentration of (1′S,2′S)-nicotine 1′-oxide in the samples of individuals from various groups.
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(This article belongs to the Special Issue Advances in Pharmaceutical Analytical Technologies)
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Open AccessArticle
Rational Fabrication of Nickel Vanadium Sulfide Encapsulated on Graphene as an Advanced Electrode for High-Performance Supercapacitors
by
Meng Guo, Jia Du, Xueguo Liu, Wentao Liu, Mingjian Zhao, Jianqi Wang and Xuyang Li
Molecules 2024, 29(15), 3642; https://doi.org/10.3390/molecules29153642 - 1 Aug 2024
Abstract
Supercapacitors (SCs) are widely recognized as competitive power sources for energy storage. The hierarchical structure of nickel vanadium sulfide nanoparticles encapsulated on graphene nanosheets (NVS/G) was fabricated using a cost-effective and scalable solvothermal process. The reaction contents of the composites were explored and
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Supercapacitors (SCs) are widely recognized as competitive power sources for energy storage. The hierarchical structure of nickel vanadium sulfide nanoparticles encapsulated on graphene nanosheets (NVS/G) was fabricated using a cost-effective and scalable solvothermal process. The reaction contents of the composites were explored and optimized. TEM images displayed the nickel vanadium sulfide nanoparticles (NVS NPs) with 20–30 nm average size anchored to graphene nanosheets. The interconnection of graphene nanosheets encapsulating NVS nanoparticles effectively reduces the ion diffusion path between the electrode and electrolyte, thereby enhancing electrochemical performance. The NVS/G composite demonstrated improved electrochemical performance, achieving a maximum of 1437 F g−1 specific capacitance at 1 A g−1, remarkable rate capability retaining of 1050 F g−1 at 20 A g−1, and exceptional cycle stability with 91.2% capacitance retention following 10,000 cycles. The NVS/G composite was employed as a cathode, and reduced graphene oxide (rGO) was used as an anode material to assemble a device. Importantly, asymmetric SCs using NVS/G//rGO achieved 74.7 W h kg−1 energy density at 0.8 kW kg−1 power density, along with outstanding stability with 88.2% capacitance retention following 10,000 cycles. These superior properties of the NVS/G electrode highlight its significant potential in energy storage applications.
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(This article belongs to the Section Inorganic Chemistry)
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Open AccessCorrection
Correction: Qi et al. Melatonin Alleviates High Temperature-Induced Pollen Abortion in Solanum lycopersicum. Molecules 2018, 23, 386
by
Zhen-Yu Qi, Kai-Xin Wang, Meng-Yu Yan, Mukesh Kumar Kanwar, Dao-Yi Li, Leonard Wijaya, Mohammed Nasser Alyemeni, Parvaiz Ahmad and Jie Zhou
Molecules 2024, 29(15), 3641; https://doi.org/10.3390/molecules29153641 - 1 Aug 2024
Abstract
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In the original publication [...]
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Open AccessArticle
Ethyl Acetate Fraction from Eleutherococcus divaricatus Root Extract as a Promising Source of Compounds with Anti-Hyaluronidase, Anti-Tyrosinase, and Antioxidant Activity but Not Anti-Melanoma Activity
by
Jakub Gębalski, Milena Małkowska, Sylwia Wnorowska, Dorota Gawenda-Kempczyńska, Maciej Strzemski, Magdalena Wójciak, Artur Słomka, Jan Styczyński and Daniel Załuski
Molecules 2024, 29(15), 3640; https://doi.org/10.3390/molecules29153640 - 1 Aug 2024
Abstract
Eleutherococcus divaricatus (Siebold and Zucc.) S. Y. Hu. has been used in Traditional Chinese Medicine (TCM) due to its anticancer, immunostimulant, and anti-inflammatory activities. However, its mechanism of action and chemical composition are still insufficiently understood and require more advanced research, especially for
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Eleutherococcus divaricatus (Siebold and Zucc.) S. Y. Hu. has been used in Traditional Chinese Medicine (TCM) due to its anticancer, immunostimulant, and anti-inflammatory activities. However, its mechanism of action and chemical composition are still insufficiently understood and require more advanced research, especially for cases in which anti-inflammatory properties are beneficial. The aim of this study was to evaluate the impact of E. divaricatus root extracts and fractions on proinflammatory serum hyaluronidase and tyrosinase in children diagnosed with acute lymphoblastic leukemia. Antioxidant and anti-melanoma activities were also examined and correlated with metabolomic data. For the first time, we discovered that the ethyl acetate fraction significantly inhibits hyaluronidase activity, with mean group values of 55.82% and 63.8% for aescin used as a control. However, interestingly, the fraction showed no activity against human tyrosinase, and in A375 melanoma cells treated with a doxorubicin fraction, doxorubicin activity decreased. This fraction exhibited the most potent antioxidant activity, which can be attributed to high contents of polyphenols, especially caffeic acid (24 mg/g). The findings suggest an important role of the ethyl acetate fraction in hyaluronidase inhibition, which may additionally indicate its anti-inflammatory property. The results suggest that this fraction can be used in inflammatory-related diseases, although with precautions in cases of patients undergoing chemotherapy.
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(This article belongs to the Special Issue Anticancer, Antioxidant, and Anti-inflammatory Activities of Natural Products)
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Open AccessArticle
Self-Assembly of Three-Dimensional Hyperbranched Magnetic Composites and Application in High-Turbidity Water Treatment
by
Yuan Zhao, Qianlong Fan, Yinhua Liu, Junhui Liu, Mengcheng Zhu, Xuan Wang and Ling Shen
Molecules 2024, 29(15), 3639; https://doi.org/10.3390/molecules29153639 - 1 Aug 2024
Abstract
In order to improve dispersibility, polymerization characteristics, chemical stability, and magnetic flocculation performance, magnetic Fe3O4 is often assembled with multifarious polymers to realize a functionalization process. Herein, a typical three-dimensional configuration of hyperbranched amino acid polymer (HAAP) was employed to
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In order to improve dispersibility, polymerization characteristics, chemical stability, and magnetic flocculation performance, magnetic Fe3O4 is often assembled with multifarious polymers to realize a functionalization process. Herein, a typical three-dimensional configuration of hyperbranched amino acid polymer (HAAP) was employed to assemble it with Fe3O4, in which we obtained three-dimensional hyperbranched magnetic amino acid composites (Fe3O4@HAAP). The characterization of the Fe3O4@HAAP composites was analyzed, for instance, their size, morphology, structure, configuration, chemical composition, charged characteristics, and magnetic properties. The magnetic flocculation of kaolin suspensions was conducted under different Fe3O4@HAAP dosages, pHs, and kaolin concentrations. The embedded assembly of HAAP with Fe3O4 was constructed by the N–O bond according to an X-ray photoelectron energy spectrum (XPS) analysis. The characteristic peaks of –OH (3420 cm−1), C=O (1728 cm−1), Fe–O (563 cm−1), and N–H (1622 cm−1) were observed in the Fourier transform infrared spectrometer (FTIR) spectra of Fe3O4@HAAP successfully. In a field emission scanning electron microscope (FE-SEM) observation, Fe3O4@HAAP exhibited a lotus-leaf-like morphological structure. A vibrating sample magnetometer (VSM) showed that Fe3O4@HAAP had a relatively low magnetization (Ms) and magnetic induction (Mr); nevertheless, the ferromagnetic Fe3O4@HAAP could also quickly respond to an external magnetic field. The isoelectric point of Fe3O4@HAAP was at 8.5. Fe3O4@HAAP could not only achieve a 98.5% removal efficiency of kaolin suspensions, but could also overcome the obstacles induced by high-concentration suspensions (4500 NTU), high pHs, and low fields. The results showed that the magnetic flocculation of kaolin with Fe3O4@HAAP was a rapid process with a 91.96% removal efficiency at 0.25 h. In an interaction energy analysis, both the UDLVO and UEDLVO showed electrostatic repulsion between the kaolin particles in the condition of a flocculation distance of <30 nm, and this changed to electrostatic attraction when the separation distance was >30 nm. As Fe3O4@ HAAP was employed, kaolin particles could cross the energy barrier more easily; thus, the fine flocs and particles were destabilized and aggregated further. Rapid magnetic separation was realized under the action of an external magnetic field.
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(This article belongs to the Special Issue Innovative Materials and Methods for the Removal of Pollutants from the Environment (2nd Edition))
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Open AccessArticle
Periostracum Cicadae Extract and N-Acetyldopamine Regulate the Sleep-Related Neurotransmitters in PCPA-Induced Insomnia Rats
by
Dongge Wang, Tingjuan Wu, Jinghui Jin, Yanpo Si, Yushi Wang, Xiaojia Ding, Tao Guo and Wenjun Wei
Molecules 2024, 29(15), 3638; https://doi.org/10.3390/molecules29153638 - 31 Jul 2024
Abstract
Insomnia is the second most prevalent mental illness worldwide. Periostracum cicadae (PC), as an animal traditional Chinese medicine with rich pharmacological effects, has been documented as a treatment for children’s night cries, and later extended to treat insomnia. This study aimed to investigate
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Insomnia is the second most prevalent mental illness worldwide. Periostracum cicadae (PC), as an animal traditional Chinese medicine with rich pharmacological effects, has been documented as a treatment for children’s night cries, and later extended to treat insomnia. This study aimed to investigate the effects of PC extract and N-acetyldopamine compounds in ameliorating insomnia. The UPLC-ESI-QTOF-MS analysis determined that PC extract mainly contained N-acetyldopamine components. Previously, we also isolated some acetyldopamine polymers from PC extract, among which acetyldopamine dimer A (NADA) was present in high content. Molecular docking and molecular dynamic simulations demonstrated that NADA could form stable complexes with 5-HT1A, BDNF, and D2R proteins, respectively. The effects of PC extract and NADA on insomnia were evaluated in the PCPA-induced insomnia model. The results indicated that PC extract and NADA could effectively ameliorate hypothalamic pathology of insomnia rats, increase the levels of 5-HT, GABA, and BDNF, and decrease the levels of DA, DOPAC, and HVA. Meanwhile, the PC extract and NADA also could significantly affect the expression of 5-HT1A, BDNF, and DARPP-32 proteins. This study proved that PC extract and acetyldopamine dimer A could effectively improve PCPA-induced insomnia in rats. It is speculated that the main pharmacological substances of PC were acetyldopamine components.
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(This article belongs to the Special Issue Isolation, Identification and Application of Biologically Active Natural Products—Second Edition)
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