Journal Description
Chemistry
Chemistry
is an international, peer-reviewed, open access journal on chemistry published bimonthly online by MDPI.
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Impact Factor:
2.4 (2023);
5-Year Impact Factor:
2.4 (2023)
Latest Articles
Crystal Structures, Magnetic Properties, and Redox Behaviors of Carboxylato-Bridged Mn(II) Complexes with Ditopic Ligands Featuring N3-Coordination Sites
Chemistry 2024, 6(4), 601-617; https://doi.org/10.3390/chemistry6040036 (registering DOI) - 27 Jul 2024
Abstract
Carboxylato-bridged dinuclear and tetranuclear Mn(II) complexes 1–3 with ditopic ligands featuring two N3-terminal coordination sites connected by hexyl (tphn), octyl (tpon), and p-xylyl (tpxn) linkers have been synthesized and characterized through X-ray
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Carboxylato-bridged dinuclear and tetranuclear Mn(II) complexes 1–3 with ditopic ligands featuring two N3-terminal coordination sites connected by hexyl (tphn), octyl (tpon), and p-xylyl (tpxn) linkers have been synthesized and characterized through X-ray single-crystal structure analyses, infrared spectroscopy, and elemental analyses. Complex 1 is a μ-fluorido-bis-μ-acetato dinuclear Mn(II) complex where the ligand tphn coordinates to both terminal sides of a dinuclear Mn unit. In contrast, complexes 2 and 3 are tetranuclear Mn(II) complexes with a macrocyclic structure, in which two dinuclear Mn units are linked by ligands tpon or tpxn. The redox behaviors of 1 and 2 were elucidated by cyclic voltammetry, revealing two metal-centered redox processes corresponding to Mn2(II,II)/Mn2(II,III) and Mn2(II,III)/Mn2(III,III).
Full article
(This article belongs to the Section Inorganic and Solid State Chemistry)
Open AccessArticle
Photodynamic Action of Synthetic Curcuminoids against Staphylococcus aureus: Experimental and Computational Evaluation
by
Nícolas J. Melo, Jennifer M. Soares, Lívia N. Dovigo, Christian Carmona-Vargas, Antônio S. N. Aguiar, Adriana C. dos Passos, Kleber T. de Oliveira, Vanderlei S. Bagnato, Lucas D. Dias and Natalia Inada
Chemistry 2024, 6(4), 581-600; https://doi.org/10.3390/chemistry6040035 - 25 Jul 2024
Abstract
Natural curcumin is composed of three curcuminoids, namely curcumin (CUR), deme-thoxycurcumin (DMC) and bis-demethoxycurcumin (BDMC). These compounds are utilized in various biophotonics applications, including photodynamic therapy (PDT). This work aimed to evaluate the photodynamic action (alternative to antibiotics) of synthetic curcuminoids against Staphylococcus
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Natural curcumin is composed of three curcuminoids, namely curcumin (CUR), deme-thoxycurcumin (DMC) and bis-demethoxycurcumin (BDMC). These compounds are utilized in various biophotonics applications, including photodynamic therapy (PDT). This work aimed to evaluate the photodynamic action (alternative to antibiotics) of synthetic curcuminoids against Staphylococcus aureus. Herein, we evaluated an optimal proportion of the three curcuminoids mixed in solution to improve photoinactivation effects. Therefore, a set of computational calculations was carried out to understand the photodynamic action (stability and mechanism) of curcuminoids. Regarding computational analysis, the curcuminoid molecules were optimized using DFT with the hybrid exchange–correlation functional M06-2X, which includes long-range correction, and the 6-311++G(d,p) basis set. DMC and BDMC were more effective as photosensitizers than curcumin at a very low concentration of 0.75 µM, inactivating more than five orders of magnitude of S. aureus. Theoretical UV-vis absorption spectra showed that at maximum absorption wavelengths, electronic transitions of the π→π* type originated from H→L excitations. The BDMC was more stable than the other two curcuminoids after photobleaching, and the fluorescence emission was also higher, which could lead to its usage as a fluorescence dye to track bacteria. In fact, the results of electronic structure calculations proved that the stability order of curcuminoids is CUR < DMC < BDMC. The mixture of synthetic curcuminoids was more effective in the inactivation of S. aureus compared to curcumin by itself; for all proposed mixtures, an equal or superior reduction was achieved.
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(This article belongs to the Section Theoretical and Computational Chemistry)
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Open AccessFeature PaperReview
Azidoindolines—From Synthesis to Application: A Review
by
Takumi Abe
Chemistry 2024, 6(4), 556-580; https://doi.org/10.3390/chemistry6040034 - 18 Jul 2024
Abstract
Azide-containing compounds, organic azides, showcases a variety of reactivities, making them highly convenient and chameleonic intermediates. An indoline derivative has been proven to be of great significance in drug discovery due to its sp3-rich property. In this context, it is interesting
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Azide-containing compounds, organic azides, showcases a variety of reactivities, making them highly convenient and chameleonic intermediates. An indoline derivative has been proven to be of great significance in drug discovery due to its sp3-rich property. In this context, it is interesting to perform such vigorous azidation on medicinal-relevant indoles/indolines, resulting in the production of sp3-rich azidoindolines. The potential biological activity, in combination with the sp3-rich indoline bearing the azido moiety, makes azidoindolines an attractive synthetic target for medicinal and synthetic chemists. This review describes recent advances in the synthesis and application of azidoindolines: (1) iodine-mediated azidations, (2) metal-catalyzed azidations, (3) electrochemical azidations, (4) photochemical azidations, (5) azidation using a combination of an oxidant and an azide source, and (6) nucleophilic azidation.
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(This article belongs to the Special Issue Future Trends in Catalytic Organic Synthesis)
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Open AccessCorrection
Correction: Bagchi et al. Effects of Carboxyl Functionalized CNT on Electrochemical Behaviour of Polyluminol-CNT Composites. Chemistry 2022, 4, 1561–1575
by
Raunaq Bagchi, Mohamed Elshazly, Jeanne N’Diaye, Dian Yu, Jane Y. Howe and Keryn Lian
Chemistry 2024, 6(4), 555; https://doi.org/10.3390/chemistry6040033 - 12 Jul 2024
Abstract
There was an error in the original publication [...]
Full article
(This article belongs to the Section Electrochemistry and Photoredox Processes)
Open AccessArticle
Phytochemistry, Anti-Tyrosinase, and Anti-Diabetes Studies of Extracts and Chemical Constituents of Dicerothamnus rhinocerotis Leaves
by
Olusola Ifedolapo Watti, Masande Yalo, Rajan Sharma, Masixole Makhaba, Ahmed A. Hussein and Wilfred T. Mabusela
Chemistry 2024, 6(4), 546-554; https://doi.org/10.3390/chemistry6040032 - 2 Jul 2024
Abstract
Dicerothamnus rhinocerotis (L.f.) Koekemoer, also known as rhinoceros bush and previously called Elytropappus rhinocerotis (L.f.) Less., is from the Asteraceae plant family. The plant is traditionally used to treat indigestion, stomach ulcers, influenza, and diarrhea. This study was aimed at investigating the phytochemistry,
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Dicerothamnus rhinocerotis (L.f.) Koekemoer, also known as rhinoceros bush and previously called Elytropappus rhinocerotis (L.f.) Less., is from the Asteraceae plant family. The plant is traditionally used to treat indigestion, stomach ulcers, influenza, and diarrhea. This study was aimed at investigating the phytochemistry, anti-glucosidase, anti-amylase, and anti-tyrosinase effects of D. rhinocerotis as research in this area is limited. The air-dried plant materials were macerated in 80% methanol (MeOH) and fractionated between hexane, dichloromethane (DCM), ethyl acetate (EtOAc), and butanol (BuOH). Column chromatography on silica gel was employed for the isolation of the compounds. A total of six compounds (1–6) were isolated from the fractions viz. acacetin (1), 15-hydroxy-cis-clerodan-3-ene-18-oic-acid (2), acacetin-7-glucoside (3), pinitol (4), apigenin (5), and β-sitosterol-3-O-glycoside (6). Compounds 2–4 and 6 are reported for the first time from this plant. Among the different fractions, the BuOH and EtOAc fractions had strong tyrosinase inhibitory activities with IC50 values of 13.7 ± 1.71 and 11.6 ± 2.68 µg/mL, respectively, while among the isolated compounds, apigenin (5) had the strongest inhibitory activity, with an IC50 of 14.58 µM, which competes favorably with Kojic acid (17.26 µM). The anti-glucosidase assay showed good activity in three of the fractions and compound 5, while the anti-amylase assays did not show significant inhibition activity.
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(This article belongs to the Topic Enzymes and Enzyme Inhibitors in Drug Research)
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Open AccessArticle
Probing Slipids Force Field for Phase Transitions in SOPC Lipid Bilayers with Various Cholesterol Concentrations
by
Nikoleta Ivanova and Hassan Chamati
Chemistry 2024, 6(4), 531-545; https://doi.org/10.3390/chemistry6040031 - 29 Jun 2024
Abstract
We explore the phase behavior of lipid bilayers containing SOPC (1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine) with various molar concentrations (0 mol%, 10 mol% and 30 mol%) of cholesterol. To this end, we performed extensive atomistic molecular dynamics simulations in conjunction with the Slipids force field with optimized
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We explore the phase behavior of lipid bilayers containing SOPC (1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine) with various molar concentrations (0 mol%, 10 mol% and 30 mol%) of cholesterol. To this end, we performed extensive atomistic molecular dynamics simulations in conjunction with the Slipids force field with optimized parameters for the headgroups of phospholipids. We computed thermodynamic and structural quantities describing the ordering of the tails, the mobility of the heads and the arrangement of the lipids in the bilayers. We analyzed the behavior of the named quantities over the temperature range between 271 K and 283 K, where the experimentally determined melting temperature, K, lies, as well as at 400 K, which is used as a reference temperature. The obtained results are compared to available experimental data along with the outcome from molecular dynamics simulations of similar phospholipids containing different amounts of cholesterol. In the temperature interval of interest, we found evidence of the occurrence of a thermal-driven phase transition (melting) in both the pure system and the one with the lower concentration of cholesterol, while in the remaining system, the higher amount of cholesterol in the bilayer smears out the transitional behavior. Thus, we demonstrate the ability of the Slipids force field to predict the phase behavior of bilayers of SOPC and SOPC mixed with cholesterol.
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(This article belongs to the Section Theoretical and Computational Chemistry)
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Open AccessArticle
Substrate Influence on Enzymatic Activity in Cordyceps militaris for Health Applications
by
Nguyen Quang Trung, Nguyen Tien Dat, Ho Ngoc Anh, Quach Ngoc Tung, Vu Thi Hanh Nguyen, Ho Ngoc Bich Van, Nguyen Minh Nhat Van and Truong Ngoc Minh
Chemistry 2024, 6(4), 517-530; https://doi.org/10.3390/chemistry6040030 - 28 Jun 2024
Abstract
Cordyceps militaris, well known for its therapeutic potential in managing type-2 diabetes through the inhibition of α-amylase and α-glucosidase enzymes, was the central focus of this research, which investigated the influence of various cultivation substrates on its enzymatic inhibitory properties and bioactive
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Cordyceps militaris, well known for its therapeutic potential in managing type-2 diabetes through the inhibition of α-amylase and α-glucosidase enzymes, was the central focus of this research, which investigated the influence of various cultivation substrates on its enzymatic inhibitory properties and bioactive compound content. Previous studies have primarily focused on the general pharmacological benefits of C. militaris but have not thoroughly explored how different substrates affect its bioactive profile and enzyme inhibitory activities. This study aimed to evaluate the impact of substrate selection on the enzyme inhibition activities and the levels of bioactive compounds such as cordycepin and adenosine in C. militaris, demonstrating that substrate selection markedly affects both these enzymes’ inhibition activities and bioactive compound levels. Particularly, C. militaris fruiting bodies grown on Brihaspa atrostigmella showed the highest concentrations of cordycepin (2.932 mg/g) and adenosine (1.062 mg/g). This substrate also exhibited the most potent α-glucosidase inhibition with an IC50 value of 336.4 ± 16.0 µg/mL and the most effective α-amylase inhibition with an IC50 value of 504.6 ± 4.2 µg/mL. Conversely, C. militaris cultivated on the solid residues of Gryllus bimaculatus displayed the strongest xanthine oxidase (XOD) inhibition, with the lowest IC50 value of 415.7 ± 11.2 µg/mL. These findings highlight the critical role of substrate choice in enhancing the medicinal properties of C. militaris, suggesting that optimized cultivation can enhance the bioactive properties for more effective natural therapies for diabetes and other metabolic disorders. This study not only extends the understanding of C. militaris’ pharmacological potential but also illustrates its applicability in developing customized treatment options.
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(This article belongs to the Section Biological and Natural Products)
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Vapor-Driven Crosslinked Hydroxypropyl-β-Cyclodextrin Electrospun Nanofibrous Membranes for Ultrafast Dye Removal
by
Xinmiao Xu, Yi Zhang, Yong Chen and Yu Liu
Chemistry 2024, 6(4), 506-516; https://doi.org/10.3390/chemistry6040029 - 25 Jun 2024
Abstract
Traditional separation membranes used for dye removal often suffer from a trade-off between separation efficiency and water permeability. Herein, we propose a facile approach to prepare cyclodextrin-based high-flux nanofiber membranes by electrospinning and vapor-driven crosslinking processes. The application of glutaraldehyde vapor for crosslinking
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Traditional separation membranes used for dye removal often suffer from a trade-off between separation efficiency and water permeability. Herein, we propose a facile approach to prepare cyclodextrin-based high-flux nanofiber membranes by electrospinning and vapor-driven crosslinking processes. The application of glutaraldehyde vapor for crosslinking hydroxypropyl-β-cyclodextrin (HP-β-CD)/polyvinyl alcohol (PVA)/laponite electrospun membranes can build interconnected structures and lead to the formation of a porous hierarchical layer. In addition, the incorporation of inorganic salt, laponite, can alter the crosslinking process, resulting in membranes with improved hydrophilicity and highly maintained electrospun nanofibrous morphology, which contributes to an ultrafast water flux of 1.0 × 105 Lh−1m−2bar−1. Due to the synergetic effect of strong host–guest interaction and electrostatic interaction, the membranes exhibit suitable rejection toward anionic dyes with a high removal efficiency of >99% within a short time and achieve accurate separation for cationic against anionic dyes, accompanied by suitable recyclability with >97% separation efficiency after at least four separation–regenerations. The prepared membranes with remarkable separation efficiency and ultrafast permeation properties might be a promising candidate for high-performance membranes in water treatment.
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(This article belongs to the Section Supramolecular Chemistry)
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Highly Efficient Visible-Light-Driven Photocatalysis of Rose Bengal Dye and Hydrogen Production Using Ag@Cu/TiO2 Ternary Nanocomposites
by
Satish Yadav, Asim Jilani, Sarika Sachan, Pramod Kumar, Sajid Ali Ansari, Muhammad Afzal and Mohammad Omaish Ansari
Chemistry 2024, 6(3), 489-505; https://doi.org/10.3390/chemistry6030028 - 20 Jun 2024
Abstract
In this work, an Ag@Cu/TiO2 ternary nanocomposite was synthesized by a simple chemical methodology and subsequently studied for the photocatalytic degradation of rose bengal (RB) dye under visible light as well as its hydrogen production. The shape, size and topographical analysis by
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In this work, an Ag@Cu/TiO2 ternary nanocomposite was synthesized by a simple chemical methodology and subsequently studied for the photocatalytic degradation of rose bengal (RB) dye under visible light as well as its hydrogen production. The shape, size and topographical analysis by scanning and transmission electron microscopy revealed that all the constituents are well intercalated and are in the nano range. The energy dispersive X-ray analysis of the Ag@Cu/TiO2 showed the presence of Ti, O, Cu and Ag and the absence of any other impurities, while the mapping analysis showed their uniform distribution. The X-ray photon spectroscopy also showed successful interaction between the components. Furthermore, the changes in the chemical state of Ti2p were examined. The band gap of Ag@Cu/TiO2 using the Tauc plot relations was found to be the lowest at 2.86 eV in comparison to pure TiO2 (3.28 eV), binary Ag/TiO2 (3.13 eV) and Cu/TiO2 (3.00 eV). The Ag@Cu/TiO2 displayed the lowest photoluminescence intensity, suggesting the highest degradation efficiency and lowest recombination rate. The application of Ag@Cu/TiO2 toward the photocatalytic degradation of RB dye exhibited a degradation rate of ~81.07%, which exceeds the efficiency of pure TiO2 by 3.31 times. Apart from this, the hydrogen production of Ag@Cu/TiO2 was found to be 17.1 μmol h−1 g−1, suggesting that copper and silver synergistically contributed, thereby resulting in the increased hydrogen production of pure TiO2.
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(This article belongs to the Topic Catalysis for Sustainable Chemistry and Energy, 2nd Volume)
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An Efficient and Eco-Friendly Procedure for Electrophilic Thiocyanation of Anilines and 1-(Substituted benzylidene)-2-phenyl Hydrazines
by
A. M. M. Mallikarjunaswamy, Gouthami Kuruvalli, Khajamohiddin Syed, Vaddi Damodara Reddy and Vipin A. Nair
Chemistry 2024, 6(3), 476-488; https://doi.org/10.3390/chemistry6030027 - 10 Jun 2024
Abstract
Thiocyanates form an important class of organic compounds commonly found in natural products that exhibit excellent antimicrobial activity. The electrophilic thiocyanation is one of the most effective methods of introducing a -SCN functional group to the parent organic molecule. In this work, we
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Thiocyanates form an important class of organic compounds commonly found in natural products that exhibit excellent antimicrobial activity. The electrophilic thiocyanation is one of the most effective methods of introducing a -SCN functional group to the parent organic molecule. In this work, we explored an eco-friendly and highly efficient method for thiocyanation of anilines and 1-(substituted benzylidene)-2-phenylhydrazines using commercially available N-bromoscuccinimide (NBS) and potassium thiocyanate (KSCN). The optimized protocol afforded thiocyanates with good regioselectivity and excellent yields in comparison to the available methods.
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(This article belongs to the Section Green and Environmental Chemistry)
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Open AccessCommunication
Visible-Light Photochromic Properties of an Inorganic-Organic Phosphomolybdic Acid/Polythiophene Hybrid Thin Film
by
Wanqing Zhao, Hongmei Zhao, Wei Feng and Honggang Zhao
Chemistry 2024, 6(3), 469-475; https://doi.org/10.3390/chemistry6030026 - 7 Jun 2024
Abstract
A visible-light photochromic hybrid film was synthesized based on combining phosphomolybdic acid (PMoA) with the polythiophene (PTh) matrix. The microstructure and photochromic properties of the materials were analyzed through atomic force microscopy (AFM), Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS) and
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A visible-light photochromic hybrid film was synthesized based on combining phosphomolybdic acid (PMoA) with the polythiophene (PTh) matrix. The microstructure and photochromic properties of the materials were analyzed through atomic force microscopy (AFM), Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS) and ultraviolet-visible spectra (UV-vis). According to FTIR spectra, the geometries of PMoA and PTh were well preserved in hybrid film and there exists a strong interaction at the interface of PMoA and PTh. The XPS spectra revealed the change in the chemical microenvironment and the reduction of Mo6+ atoms in the photoreduction reaction. Under visible light irradiation, the composite film changed from transparent to blue and deepened gradually, generating heteropoly blue. The hybrid film also shows reversibility in the presence of oxygen. The results indicated that the photochromic reaction was inconsistent with photoinduced electron transfer mechanism.
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(This article belongs to the Section Chemistry of Materials)
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Open AccessReview
Biological Applications of Thiourea Derivatives: Detailed Review
by
Fatimah A. Agili
Chemistry 2024, 6(3), 435-468; https://doi.org/10.3390/chemistry6030025 - 31 May 2024
Abstract
Thiourea and its derivatives have become a significant focal point within the organic synthesis field, garnering attention for their diverse biological applications, including antibacterial, antioxidant, anticancer, anti-inflammatory, anti-Alzheimer, antituberculosis and antimalarial properties. My objective is to present a comprehensive and easily understandable analysis
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Thiourea and its derivatives have become a significant focal point within the organic synthesis field, garnering attention for their diverse biological applications, including antibacterial, antioxidant, anticancer, anti-inflammatory, anti-Alzheimer, antituberculosis and antimalarial properties. My objective is to present a comprehensive and easily understandable analysis of recent advancements in the organic synthesis of thiourea derivatives. My focus is on the structure and activity of these derivatives over the past five years, highlighting the significant progress made in the field of organic synthesis. Additionally, I evaluate the current state of research in this area and provide an overview of the latest trends and future prospects. This review will prove to be beneficial for researchers, academics and industry professionals involved in drug development and organic synthesis.
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(This article belongs to the Section Molecular Organics)
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Recent Advances in Applied Electrochemistry: A Review
by
Paolo Yammine, Hanna El-Nakat, Rima Kassab, Agapy Mansour, Bilal El Khoury, Diala Koumeir, Zeinab Matar and Ayman Chmayssem
Chemistry 2024, 6(3), 407-434; https://doi.org/10.3390/chemistry6030024 - 23 May 2024
Abstract
Applied electrochemistry (AE) plays today an important role in a wide range of fields, including energy conversion and storage, processes, environment, (bio)analytical chemistry, and many others. Electrochemical synthesis is now proven as a promising pathway to avoid all disadvantages in terms of high
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Applied electrochemistry (AE) plays today an important role in a wide range of fields, including energy conversion and storage, processes, environment, (bio)analytical chemistry, and many others. Electrochemical synthesis is now proven as a promising pathway to avoid all disadvantages in terms of high energy consumption and high pollution, while electrochemical modeling becomes a powerful tool to understand complex systems and predict and optimize the electrochemical devices under various conditions, which reduce study time and cost. The vital role of electrochemistry will greatly be considered in the upcoming years, aiming to reduce carbon footprints and supporting the transition towards a green and more sustainable energy framework. This review article summarizes the recent advances in applied electrochemistry. It shows how this field has become an indispensable tool for innovation, progress, problem-solving in the modern world, and addressing societal challenges across diverse fields.
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(This article belongs to the Section Electrochemistry and Photoredox Processes)
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Reaction of β-Nitrostyrene with Diethyl Malonate in the Presence of Bispidines: The Unusual Role of the Organocatalyst
by
Alexander I. Dalinger, Sabina F. Mamedova, Julia V. Burykina, Evgeniy O. Pentsak and Sergey Z. Vatsadze
Chemistry 2024, 6(3), 387-406; https://doi.org/10.3390/chemistry6030023 - 10 May 2024
Abstract
The aim of this work was the investigation of novel organocatalysts for the Michael addition of diethyl malonate to β-nitrostyrene. The methodology of the study included NMR titration, reaction monitoring by NMR spectroscopy and electrospray ionization mass spectrometry (ESI-MS), product characterization by
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The aim of this work was the investigation of novel organocatalysts for the Michael addition of diethyl malonate to β-nitrostyrene. The methodology of the study included NMR titration, reaction monitoring by NMR spectroscopy and electrospray ionization mass spectrometry (ESI-MS), product characterization by MALDI, IR spectroscopy, scanning electron microscopy (SEM), thermal gravimetric analysis (TGA), and elemental analysis. As a result, evidence of supramolecular interactions between two pairs of components of the reaction was found. In addition to the supramolecular complexes, an unusual reaction, i.e., the Michael addition of NH-bispidines to β-nitrostyrene, was found, which led to previously unknown oligomers of β-nitrostyrene. A new mechanism for the catalytic action of NH-bispidine was proposed, which involved catalysis not by the initial organocatalyst but rather by its adduct with β-nitrostyrene. Thus, in this reaction, N-benzylbispidine acted as an initiator, and the real catalyst was the betaine formed during the initiation stage.
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(This article belongs to the Special Issue Future Trends in Catalytic Organic Synthesis)
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Open AccessCommunication
Anxiolytic-Like and Antidepressant Effects of a 13H-indolo[2,3-a]thiopyrano[2,3-g]quinolizine Derivative
by
Carlos E. Castillo-Espinoza, María Leonor González-Rivera, Alberto Medina-Ortiz, Juan Carlos Barragan-Galvez, Sergio Hidalgo-Figueroa, David Cruz Cruz, Martha Alicia Deveze-Alvarez, Gerardo González-García, Clarisa Villegas Gómez and Angel Josabad Alonso-Castro
Chemistry 2024, 6(3), 376-386; https://doi.org/10.3390/chemistry6030022 - 9 May 2024
Abstract
Depressive and anxiety disorders constitute some of the most prevalent mental disorders around the world. For years, the development of new lead compounds for drug discovery in this field has been an area of great attention. Recently, a series of tetrahydrocarbazole derivatives have
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Depressive and anxiety disorders constitute some of the most prevalent mental disorders around the world. For years, the development of new lead compounds for drug discovery in this field has been an area of great attention. Recently, a series of tetrahydrocarbazole derivatives have demonstrated important anxiolytic-like activity, associated with their structures and stereochemistry. Here, we present a study of the antidepressant effect and anxiolytic-like activity of a fused thiopyrano-piperidone-tetrahydrocarboline (compound 4). The antidepressant and anxiolytic-like effects of 4 (1–50 mg/kg p.o.) were assessed with the tail suspension test and the hole-board test, respectively. This study determined the possible mechanisms involved in the anxiolytic-like actions of 4 using inhibitors or neurotransmission and evaluated its interaction with 5HT2A receptors using a molecular docking study. As an analog to the tetrahydrocarbazole core, the tetrahydrocarboline derivative showed anxiolytic-like activity (ED50 = 13 mg/kg p.o.) in the hole-board test, with a comparable effect to the reference drug, 1.5 mg/kg clonazepam, with the possible participation of the serotonergic system.
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(This article belongs to the Section Medicinal Chemistry)
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Open AccessArticle
One-Step Ethanol Conversion for 1,3-Butadiene Synthesis over Two-Dimensional VMT-SiO2 Nanomesh Loaded with Magnesium and Copper Oxide
by
Yaqi Qin, Kegong Fang, Wenbin Li and Hongfang Jiu
Chemistry 2024, 6(3), 361-375; https://doi.org/10.3390/chemistry6030021 - 26 Apr 2024
Abstract
A two-dimensional porous silica nanomesh (VMT-SiO2) was used as a carrier to prepare MgO-CuO-based catalysts and tested for one-step ethanol conversion to 1,3-butadiene. The effects of catalyst composition and different calcination temperatures on the reaction performances of the catalysts were mainly
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A two-dimensional porous silica nanomesh (VMT-SiO2) was used as a carrier to prepare MgO-CuO-based catalysts and tested for one-step ethanol conversion to 1,3-butadiene. The effects of catalyst composition and different calcination temperatures on the reaction performances of the catalysts were mainly investigated. Combining various characterization techniques, such as HRTEM, XRD, FT-IR, and TPD, it was found that the dispersion state of MgO and CuO on the catalyst surface was related to the calcination temperature, which further induced changes in the acid–base properties. A small number of acidic centers and a proper proportion of medium–strong alkaline centers maintained a subtle balance, affecting catalytic performance. A lower total acid/base ratio is more conducive to ethanol conversion and 1,3-butadiene formation. At the same time, the synergistic effect of CuO and MgO promotes the transformation of the intermediate acetaldehyde product, which is the key to ensuring the subsequent aldol condensation and then 1,3-butadiene formation. Among the investigated samples, the CuO/MgO-VMT-SiO2 catalyst calcined at 500 °C exhibited the best catalytic performance, with an impressive ethanol conversion of 47.8% and 1,3-butadiene formation (42.6% selectivity and a space-time yield of 182.0 gC4H6·kgcat−1·h−1).
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(This article belongs to the Section Catalysis)
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The Conjugate of Rhein–Artesunate for Inducing Immunogenic Cell Death to Prepare Cancer Vaccine and Suppress Tumor Growth
by
Zi-Jian Xu, Wei Wang and Shi-Wen Huang
Chemistry 2024, 6(3), 345-360; https://doi.org/10.3390/chemistry6030020 - 25 Apr 2024
Abstract
The conjugate of rhein and artesunate have shown promising effects in inducing immunogenic cell death (ICD) and inhibiting tumor growth. Rhein, a natural anthraquinone derivative found in various medicinal plants such as Rheum palmatum, possesses diverse pharmacological properties including anti-inflammatory and anticancer
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The conjugate of rhein and artesunate have shown promising effects in inducing immunogenic cell death (ICD) and inhibiting tumor growth. Rhein, a natural anthraquinone derivative found in various medicinal plants such as Rheum palmatum, possesses diverse pharmacological properties including anti-inflammatory and anticancer activities. Artesunate, a sesquiterpene lactone extracted from Artemisia annua, exhibits potent antimalarial efficacy and has garnered attention for its potential anticancer properties. Through rational drug design, the conjugation of rhein with artesunate has yielded compounds capable of selectively targeting mitochondria of cancer cells, inducing oxidative stress-mediated ICD, and enhancing the immunogenicity of tumor cells. The conjugate leverages the inherent cytotoxicity of artesunate while incorporating the capability to selectively target the mitochondria of rhein, thereby fostering a special approach to immunotherapy for cancer. Upon accumulation in the mitochondria, these compounds induce the generation of reactive oxygen species (ROS), leading to mitochondrial membrane potential (ΔΨm) reduction and endoplasmic reticulum (ER) stress. Notably, the conjugate exhibits far more potent ICD-inducing properties than their parent compounds. In vivo studies have demonstrated that the vaccine, when treated with the conjugate, effectively suppresses tumor growth.
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(This article belongs to the Section Medicinal Chemistry)
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First Report of Ocellatin-VT from the Skin Secretion of Leptodactylus vastus Lutz (Amphibia: Leptodactylidae)
by
Tulíbia Laurindo Silva, Géssica Gomes Barbosa, Carlos José Correia de Santana, Patrícia Maria Guedes Paiva, Mariana S. Castro and Thiago Henrique Napoleão
Chemistry 2024, 6(2), 333-344; https://doi.org/10.3390/chemistry6020019 - 8 Apr 2024
Abstract
The global emergency of antimicrobial resistance has drawn several efforts to evaluate new drug candidates, such as natural defensive biomolecules. Ocellatins are a group of antimicrobial peptides found in anurans of the Leptodactylidae family. This work investigated the presence of antimicrobial peptides in
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The global emergency of antimicrobial resistance has drawn several efforts to evaluate new drug candidates, such as natural defensive biomolecules. Ocellatins are a group of antimicrobial peptides found in anurans of the Leptodactylidae family. This work investigated the presence of antimicrobial peptides in the skin secretion of Leptodactylus vastus from the Brazilian northeast. The secretion was fractionated by RP-HPLC, and the fractions were screened for antibacterial activity. A peptide isolated from the most active fraction was characterized for primary structure and evaluated for antibacterial activity, cytotoxicity to murine melanoma cells (B16-F10), and hemolytic activity. The RP-HPLC profile displayed 26 fractions, with fraction 25 being the most active. One of the two peptides present in this fraction had the primary structure determined, belonging to the group of ocellatins. Since it was not identical to other ocellatins previously reported, it was named ocellatin-VT. This peptide especially inhibited Gram-negative bacteria growth, with the highest activity against Acinetobacter baumannii and Escherichia coli (growth inhibition was higher than 95% at 8 and 16 µM, respectively). Ocellatin-VT was weakly cytotoxic to B16-F10 cells and showed low hemolytic activity. In conclusion, a new ocellatin was isolated from L. vastus skin secretion that was active against non-resistant and multidrug-resistant bacteria.
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(This article belongs to the Section Biological and Natural Products)
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Open AccessArticle
NEXAFS and XPS Studies of Co Doped Bismuth Magnesium Tantalate Pyrochlores
by
Nadezhda A. Zhuk, Boris A. Makeev, Aleksandra V. Koroleva, Sergey V. Nekipelov and Olga V. Petrova
Chemistry 2024, 6(2), 323-332; https://doi.org/10.3390/chemistry6020018 - 3 Apr 2024
Abstract
Co doped bismuth magnesium tantalate with a pyrochlore structure (sp. gr. Fd-3m) was synthesized for the first time using the standard ceramic method. Single phase Bi2Mg1−xCoxTa2O9 samples were found to be formed when x
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Co doped bismuth magnesium tantalate with a pyrochlore structure (sp. gr. Fd-3m) was synthesized for the first time using the standard ceramic method. Single phase Bi2Mg1−xCoxTa2O9 samples were found to be formed when x < 0.7 in the X-ray phase analysis. However, with a higher cobalt content in the samples, the impurity phase β-BiTaO4 (sp. gr. P-1) is detected, and its amount is proportional to the degree of cobalt doping. The formation of solid solutions is evidenced by a uniform increase in the unit cell parameter of the Co,Mg co doped bismuth tantalate phase with an increase in the content of cobalt ions in the samples from 10.5412(8) (x = 0.3) to 10.5499(8) Å (x = 0.7). The samples exhibit a porous microstructure consisting of chaotically oriented and partially fused elongated grains measuring 1–2 μm. The dependence of the ceramic grain size on the n(Mg)/n(Co) ratio was not determined. X-ray spectroscopy (ear dge X-ray bsorption ine tructure (NEXAFS) and X-ray photoelectron spectroscopy (XPS)) was used to study the charge state of ions in Bi2Mg1−xCoxTa2O9. The NEXAFS and XPS data showed that doping with cobalt and magnesium did not change the bismuth and tantalum oxidation states in pyrochlore; in particular, the ions maintained their oxidation states of Bi(+3), Mg(+2) and Ta(+5). The energy position of the peaks of the Ta4f-, Ta5p-, Ta4d spectra had a characteristic shift towards lower energies compared to the binding energy in pentavalent tantalum oxide Ta2O5. A shift towards lower energies is characteristic of a decrease in the effective positive charge; in particular, for the Ta4f and Ta4d spectra we presented, this energy shift was ΔE = 0.65 eV, and in the region of the Ta4d edge—0.55 eV. This in turn allowed for us to assume that tantalum atoms have the same effective charge +(5-δ). The oxidation state of cobalt ions was predominantly 2+ and partially 3+, according to NEXAFS spectroscopy data.
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(This article belongs to the Section Inorganic and Solid State Chemistry)
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Open AccessCommunication
In-Site Growth of Efficient NiFeOOH/NiFe-LDH Electrodes: A Streamlined One-Step Methodology
by
Jing Ning, Li Xu, Wei Xu, Guizhen Li and Wen Zhang
Chemistry 2024, 6(2), 312-322; https://doi.org/10.3390/chemistry6020017 - 31 Mar 2024
Abstract
Oxygen evolution reactions (OER) are often the decisive step in determining the water electrolysis rate. The first row of transition metals and their derivatives, represented by Ni and Fe, have attracted much attention due to their excellent OER performance. Here, we develop a
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Oxygen evolution reactions (OER) are often the decisive step in determining the water electrolysis rate. The first row of transition metals and their derivatives, represented by Ni and Fe, have attracted much attention due to their excellent OER performance. Here, we develop a one-step strategy for preparing oxygen-evolving electrodes, in which the NiFeOOH-modified NiFe layered double hydroxide (NiFe-LDH) nanosheet is supported by nickel foam. At 100 mA·cm−2, the overpotential of NiFeOOH-NiFe-LDH was just 227 mV, and the duration times were over 200 h in 1 mol·L−1 KOH. Furthermore, the co-existence of LDH and hydroxyl oxides helps the oxygen evolution reaction. These results suggest the potential for this synthesis strategy to provide a low-cost, highly active OER electrocatalyst for industrial water splitting.
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(This article belongs to the Section Electrochemistry and Photoredox Processes)
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