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 14.6 days after submission; acceptance to publication is undertaken in 2.7 days (median values for papers published in this journal in the second half of 2023).
- 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 journals for Molecules include: Foundations and Photochem.
Impact Factor:
4.6 (2022);
5-Year Impact Factor:
4.9 (2022)
Latest Articles
4-Vinyl Guaiacol: A Key Intermediate for Biobased Polymers
Molecules 2024, 29(11), 2507; https://doi.org/10.3390/molecules29112507 (registering DOI) - 25 May 2024
Abstract
In order to contribute to the shift from petro-based chemistry to biobased chemistry, necessary to minimize the environmental impacts of the chemical industry, 2-methoxy-4-vinylphenol (4-vinyl guaiacol, 4VG) was used to synthesize a platform of biobased monomers. Thus, nine biobased monomers were successfully prepared.
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In order to contribute to the shift from petro-based chemistry to biobased chemistry, necessary to minimize the environmental impacts of the chemical industry, 2-methoxy-4-vinylphenol (4-vinyl guaiacol, 4VG) was used to synthesize a platform of biobased monomers. Thus, nine biobased monomers were successfully prepared. The synthesis procedures were investigated through the green metrics calculations in order to quantify the sustainability of our approaches. Their radical homopolymerization in toluene solution initiated by 2,2′-azobis(2-methylpropionitrile) (AIBN) was studied and the effect of residual 4VG as a radical inhibitor on the kinetics of polymerization was also explored. The new homopolymers were characterized by proton nuclear magnetic resonance (1H-NMR) spectroscopy, size exclusion chromatography and thermal analyses (dynamical scanning calorimetry DSC, thermal gravimetric analysis TGA). By varying the length of the alkyl ester or ether group of the 4VG derivatives, homopolymers with Tg ranging from 117 °C down to 5 °C were obtained. These new biobased monomers could be implemented in radical copolymerization as substitutes to petro-based monomers to decrease the carbon footprint of the resulting copolymers for various applications.
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(This article belongs to the Special Issue Sustainable Chemistry in France 2.0)
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Ferrocene Bis(Sulfonate) Salt as Redoxmer for Fast and Steady Redox Flow Desalination
by
Rongxuan Xie, Briana R. Schrage, Junhua Jiang, Christopher J. Ziegler and Zhenmeng Peng
Molecules 2024, 29(11), 2506; https://doi.org/10.3390/molecules29112506 (registering DOI) - 25 May 2024
Abstract
Desalination is considered a promising solution to alleviate water shortages, yet current methods are often restricted, due to challenges like high energy consumption, significant cost, or limited desalination capacity. In this study, we present a novel approach of redox flow desalination (RFD) utilizing
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Desalination is considered a promising solution to alleviate water shortages, yet current methods are often restricted, due to challenges like high energy consumption, significant cost, or limited desalination capacity. In this study, we present a novel approach of redox flow desalination (RFD) utilizing the highly aqueous-soluble and reversible redox-active compound, potassium 1,1′-bis(sulfonate) ferrocene (1,1′-FcDS). This water-soluble organic compound yielded stable and rapid desalination, sustaining extended operation without notable decay and achieving an impressive desalination rate of up to 457.5 mmol·h−1·m−2 and energy consumption as low as 40.2 kJ·molNaCl−1. Specifically, the RFD device effectively desalinated a 50 mM NaCl solution to potable standards within 6000 s using 1,1′-FcDS. It maintained an average energy consumption of 178.16 kJ·molNaCl−1 and exhibited negligible deterioration in desalination rate, energy efficiency, and charge efficiency throughout a rigorous 12,000 s cycling test. Furthermore, the versatility of this method was demonstrated by effectively treating saline water with varying initial concentrations from 10 mM to 50 mM, showcasing its potential across a broad spectrum of applications.
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(This article belongs to the Special Issue Exclusive Feature Papers in Electrochemistry)
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Preparation of UiO-66 MOF-Bonded Porous-Layer Open-Tubular Columns Using an In Situ Growth Approach for Gas Chromatography
by
Khadejah D. Otaif, Ahmed-Yacine Badjah-Hadj-Ahmed and Zeid Abdullah ALOthman
Molecules 2024, 29(11), 2505; https://doi.org/10.3390/molecules29112505 (registering DOI) - 25 May 2024
Abstract
The thermally stable zirconium-based MOF, UiO-66, was employed for the preparation of bonded porous‑layer open‑tubular (PLOT) GC columns. The synthesis included the in situ growth of the UiO-66 film on the inner wall of the capillary through a one-step solvothermal procedure. SEM–EDX analysis
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The thermally stable zirconium-based MOF, UiO-66, was employed for the preparation of bonded porous‑layer open‑tubular (PLOT) GC columns. The synthesis included the in situ growth of the UiO-66 film on the inner wall of the capillary through a one-step solvothermal procedure. SEM–EDX analysis revealed the formation of a thin, continuous, uniform, and compact layer of UiO-66 polycrystals on the functionalized inner wall of the column. The average polarity (ΔIav = 700) and the McReynolds constants reflected the polar nature of the UiO-66 stationary phase. Several mixtures of small organic compounds and real samples were used to evaluate the separation performance of the fabricated columns. Linear alkanes from n-pentane to n-decane were baseline separated within 1.35 min. Also, a series of six n-alkylbenzenes (C3–C8) were separated within 3 min with a minimum resolution of 3.09, whereas monohalobenzene mixtures were separated at 220 °C within 14s. UiO-66 PLOT columns are ideally suited for the isothermal separation of chlorobenzene structural isomers at 210 °C within 45 s with Rs ≥ 1.37. The prepared column featured outstanding thermal stability (up to 450 °C) without any observed bleeding or significant impact on its performance. This feature enabled the analysis of various petroleum-based samples.
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(This article belongs to the Topic Advances in Spectroscopic and Chromatographic Techniques)
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Open AccessArticle
Upregulated Palmitoleate and Oleate Production in Escherichia coli Promotes Gentamicin Resistance
by
Guozhu Ye, Lvyuan Fan, Yuhong Zheng, Xu Liao, Qiansheng Huang and Yubin Su
Molecules 2024, 29(11), 2504; https://doi.org/10.3390/molecules29112504 (registering DOI) - 25 May 2024
Abstract
Metabolic reprogramming mediates antibiotic efficacy. However, metabolic adaptation of microbes evolving from antibiotic sensitivity to resistance remains undefined. Therefore, untargeted metabolomics was conducted to unveil relevant metabolic reprogramming and potential intervention targets involved in gentamicin resistance. In total, 61 metabolites and 52 metabolic
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Metabolic reprogramming mediates antibiotic efficacy. However, metabolic adaptation of microbes evolving from antibiotic sensitivity to resistance remains undefined. Therefore, untargeted metabolomics was conducted to unveil relevant metabolic reprogramming and potential intervention targets involved in gentamicin resistance. In total, 61 metabolites and 52 metabolic pathways were significantly altered in gentamicin-resistant E. coli. Notably, the metabolic reprogramming was characterized by decreases in most metabolites involved in carbohydrate and amino acid metabolism, and accumulation of building blocks for nucleotide synthesis in gentamicin-resistant E. coli. Meanwhile, fatty acid metabolism and glycerolipid metabolism were also significantly altered in gentamicin-resistant E. coli. Additionally, glycerol, glycerol-3-phosphate, palmitoleate, and oleate were separately defined as the potential biomarkers for identifying gentamicin resistance in E. coli. Moreover, palmitoleate and oleate could attenuate or even abolished killing effects of gentamicin on E. coli, and separately increased the minimum inhibitory concentration of gentamicin against E. coli by 2 and 4 times. Furthermore, palmitoleate and oleate separately decreased intracellular gentamicin contents, and abolished gentamicin-induced accumulation of reactive oxygen species, indicating involvement of gentamicin metabolism and redox homeostasis in palmitoleate/oleate-promoted gentamicin resistance in E. coli. This study identifies the metabolic reprogramming, potential biomarkers and intervention targets related to gentamicin resistance in bacteria.
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(This article belongs to the Section Analytical Chemistry)
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Baicalin and Baicalein Enhance Cytotoxicity, Proapoptotic Activity, and Genotoxicity of Doxorubicin and Docetaxel in MCF-7 Breast Cancer Cells
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Joanna Bernasinska-Slomczewska, Pawel Hikisz, Anna Pieniazek and Aneta Koceva-Chyla
Molecules 2024, 29(11), 2503; https://doi.org/10.3390/molecules29112503 (registering DOI) - 25 May 2024
Abstract
Breast cancer is a major health concern and the leading cause of death among women worldwide. Standard treatment often involves surgery, radiotherapy, and chemotherapy, but these come with side effects and limitations. Researchers are exploring natural compounds like baicalin and baicalein, derived from
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Breast cancer is a major health concern and the leading cause of death among women worldwide. Standard treatment often involves surgery, radiotherapy, and chemotherapy, but these come with side effects and limitations. Researchers are exploring natural compounds like baicalin and baicalein, derived from the Scutellaria baicalensis plant, as potential complementary therapies. This study investigated the effects of baicalin and baicalein on the cytotoxic, proapoptotic, and genotoxic activity of doxorubicin and docetaxel, commonly used chemotherapeutic drugs for breast cancer. The analysis included breast cancer cells (MCF-7) and human endothelial cells (HUVEC-ST), to assess potential effects on healthy tissues. We have found that baicalin and baicalein demonstrated cytotoxicity towards both cell lines, with more potent effects observed in baicalein. Both flavonoids, baicalin (167 µmol/L) and baicalein (95 µmol/L), synergistically enhanced the cytotoxic, proapoptotic, and genotoxic activity of doxorubicin and docetaxel in breast cancer cells. In comparison, their effects on endothelial cells were mixed and depended on concentration and time. The results suggest that baicalin and baicalein might be promising complementary agents to improve the efficacy of doxorubicin and docetaxel anticancer activity. However, further research is needed to validate their safety and efficacy in clinical trials.
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(This article belongs to the Special Issue Natural Products in Anticancer Activity)
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Transformation of Silicate Ions into Silica under the Influence of Acid on the Structure of Serpentinite
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Abdrazak Auyeshov, Kazhymuhan Arynov, Chaizada Yeskibayeva, Aizhan Dikanbayeva, Darkhan Auyeshov and Yerkebulan Raiymbekov
Molecules 2024, 29(11), 2502; https://doi.org/10.3390/molecules29112502 (registering DOI) - 25 May 2024
Abstract
The process of transformation of the silicate components of the crystal lattice structure of chrysotile during its quantitative interaction with aqueous solutions containing various stoichiometrically required amounts of sulfuric acid (SRA H2SO4) calculated with respect to the magnesium content
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The process of transformation of the silicate components of the crystal lattice structure of chrysotile during its quantitative interaction with aqueous solutions containing various stoichiometrically required amounts of sulfuric acid (SRA H2SO4) calculated with respect to the magnesium content in the composition of chrysotile is investigated. It has been shown by IR spectroscopic, X-ray phase, thermal and chemical methods of investigation and analysis that, with quantitative interactions of chrysotile and sulfuric acid, first of all, the “brucite layer” of the molecular structural structure of chrysotile is exposed to acid at SRA H2SO4 = 0.1–0.3. As a result of ion exchange processes, acidic silanol (≡Si–O–H) or disilanol (=Si=(O–H)2) bonds are formed. These acid groups form one-dimensional silicate chains with transverse bridges (≡Si–O–Si≡), where the angles (Si–O–Si = 180°C) straighten, which are recorded in the IR spectra in the region of characteristic absorption of 1220–1250 cm−1 silica. The association of the resulting acid groups into silicate chains, dimers, and trimers with transverse bridges, leads to the appearance of colloidal silica particles in the system, which cause some inhibition of the dissolution of layered magnesium hydrosilicate in sulfuric acid solutions containing H2SO4˃ 0.3 SRA.
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Design, Synthesis, Antifungal Activity, and 3D-QSAR Study of Novel Quinoxaline-2-Oxyacetate Hydrazide
by
Peng Teng, Yufei Li, Ruoyu Fang, Yuchuan Zhu, Peng Dai and Weihua Zhang
Molecules 2024, 29(11), 2501; https://doi.org/10.3390/molecules29112501 (registering DOI) - 25 May 2024
Abstract
Plant pathogenic fungi pose a major threat to global food security, ecosystem services, and human livelihoods. Effective and broad-spectrum fungicides are needed to combat these pathogens. In this study, a novel antifungal 2-oxyacetate hydrazide quinoxaline scaffold as a simple analogue was designed and
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Plant pathogenic fungi pose a major threat to global food security, ecosystem services, and human livelihoods. Effective and broad-spectrum fungicides are needed to combat these pathogens. In this study, a novel antifungal 2-oxyacetate hydrazide quinoxaline scaffold as a simple analogue was designed and synthesized. Their antifungal activities were evaluated against Botrytis cinerea (B. cinerea), Altemaria solani (A. solani), Gibberella zeae (G. zeae), Rhizoctonia solani (R. solani), Colletotrichum orbiculare (C. orbiculare), and Alternaria alternata (A. alternata). These results demonstrated that most compounds exhibited remarkable inhibitory activities and possessed better efficacy than ridylbacterin, such as compound 15 (EC50 = 0.87 μg/mL against G. zeae, EC50 = 1.01 μg/mL against C. orbiculare) and compound 1 (EC50 = 1.54 μg/mL against A. alternata, EC50 = 0.20 μg/mL against R. solani). The 3D-QSAR analysis of quinoxaline-2-oxyacetate hydrazide derivatives has provided new insights into the design and optimization of novel antifungal drug molecules based on quinoxaline.
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(This article belongs to the Special Issue Research and Development of Antibacterial and Antitumor Drugs)
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Synthesis of Boronate Affinity-Based Oriented Dummy Template-Imprinted Magnetic Nanomaterials for Rapid and Efficient Solid-Phase Extraction of Ellagic Acid from Food
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Daojin Li, Na Tang and Xiping Tian
Molecules 2024, 29(11), 2500; https://doi.org/10.3390/molecules29112500 (registering DOI) - 25 May 2024
Abstract
Ellagic acid (EA) is a natural polyphenol and possesses excellent in vivo bioactivity and antioxidant behaviors, which play an important role in the treatment of oxidative stress-related diseases, such as cancer. Additionally, EA is also known as a skin-whitening ingredient. The content of
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Ellagic acid (EA) is a natural polyphenol and possesses excellent in vivo bioactivity and antioxidant behaviors, which play an important role in the treatment of oxidative stress-related diseases, such as cancer. Additionally, EA is also known as a skin-whitening ingredient. The content of EA would determine its efficacy. Therefore, the accurate analysis of EA content can provide more information for the scientific consumption of EA-rich foods and cosmetics. Nevertheless, the analysis of EA in these samples is challenging due to the low concentration level and the presence of interfering components with high abundance. Molecularly imprinted polymers are highly efficient pretreatment materials in achieving specific recognition of target molecules. However, the traditional template molecule (EA) could not be absolutely removed. Hence, template leakage continues to occur during the sample preparation process, leading to a lack of accuracy in the quantification of EA in actual samples, particularly for trace analytes. In addition, another drawback of EA as an imprinting template is that EA possesses poor solubility and a high price. Gallic acid (GA), called dummy templates, was employed for the synthesis of MIPs as a solution to these challenges. The approach used in this study was boronate affinity-based oriented surface imprinting. The prepared dummy-imprinted nanoparticles exhibited several significant advantages, such as good specificity, high binding affinity ((4.89 ± 0.46) × 10−5 M), high binding capacity (6.56 ± 0.35 mg/g), fast kinetics (6 min), and low binding pH (pH 5.0) toward EA. The reproducibility of the dummy-imprinted nanoparticles was satisfactory. The dummy-imprinted nanoparticles could still be reused even after six adsorption–desorption cycles. In addition, the recoveries of the proposed method for EA at three spiked levels of analysis in strawberry and pineapple were 91.0–106.8% and 93.8–104.0%, respectively, which indicated the successful application to real samples.
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(This article belongs to the Section Analytical Chemistry)
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Long-Term Polyethylene (Bio)Degradation in Landfill: Environmental and Human Health Implications from Comprehensive Analysis
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Vladyslav Redko, Lidia Wolska, Ewa Olkowska, Maciej Tankiewicz and Monika Cieszyńska-Semenowicz
Molecules 2024, 29(11), 2499; https://doi.org/10.3390/molecules29112499 (registering DOI) - 25 May 2024
Abstract
This study investigates the process of long-term (bio)degradation of polyethylene (PE) in an old municipal waste landfill (MWL) and its implications for environmental and human health. Advanced techniques, such as ICP–ES/MS and IC–LC, were used to analyze heavy metals and anions/cations, demonstrating significant
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This study investigates the process of long-term (bio)degradation of polyethylene (PE) in an old municipal waste landfill (MWL) and its implications for environmental and human health. Advanced techniques, such as ICP–ES/MS and IC–LC, were used to analyze heavy metals and anions/cations, demonstrating significant concentration deviations from control samples. The soil’s chemical composition revealed numerous hazardous organic compounds, further indicating the migration of additives from PE to the soil. Toxicological assessments, including Phytotoxkit FTM, Microtox® bioassay, and Ostracodtoxkit®, demonstrated phytotoxicity, acute toxicity, and high mortality in living organisms (over 85% for Heterocypris Incongruens). An unusual concentration of contaminants in the MWL’s middle layers, linked to Poland’s economic changes during the 1980s and 1990s, suggests increased risks of pollutant migration, posing additional environmental and health threats. Moreover, the infiltration capability of microorganisms, including pathogens, into PE structures raises concerns about potential groundwater contamination through the landfill bottom. This research underscores the need for vigilant management and updated strategies to protect the environment and public health, particularly in older landfill sites.
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(This article belongs to the Special Issue Residues of Organic Pollutants in Environmental Samples, 2nd Edition)
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Production of Agarose-Hydroxyapatite Composites via Supercritical Gel Drying, for Bone Tissue Engineering
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Alessandra Zanotti, Lucia Baldino, Stefano Cardea and Ernesto Reverchon
Molecules 2024, 29(11), 2498; https://doi.org/10.3390/molecules29112498 (registering DOI) - 25 May 2024
Abstract
Bone tissue engineering (BTE) is the most promising strategy to repair bones injuries and defects. It relies on the utilization of a temporary support to host the cells and promote nutrient exchange (i.e., the scaffold). Supercritical CO2 assisted drying can preserve scaffold
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Bone tissue engineering (BTE) is the most promising strategy to repair bones injuries and defects. It relies on the utilization of a temporary support to host the cells and promote nutrient exchange (i.e., the scaffold). Supercritical CO2 assisted drying can preserve scaffold nanostructure, crucial for cell attachment and proliferation. In this work, agarose aerogels, loaded with hydroxyapatite were produced in view of BTE applications. Different combinations of agarose concentration and hydroxyapatite loadings were tested. FESEM and EDX analyses showed that scaffold structure suffered from partial closure when increasing filler concentration; hydroxyapatite distribution was homogenous, and Young’s modulus improved. Looking at BTE applications, the optimal combination of agarose and hydroxyapatite resulted to be 1% w/w and 10% w/v, respectively. Mechanical properties showed that the produced composites could be eligible as starting scaffold for BTE, with a Young’s Modulus larger than 100 kPa for every blend.
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(This article belongs to the Special Issue Processing of Materials by Supercritical Fluids—Part II)
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Design, Synthesis, and Photophysical Properties of 5-Aminobiphenyl Substituted [1,2,4]Triazolo[4,3-c]- and [1,2,4]Triazolo[1,5-c]quinazolines
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Tatyana N. Moshkina, Alexandra E. Kopotilova, Marya A. Ivan’kina, Ekaterina S. Starnovskaya, Denis A. Gazizov, Emiliya V. Nosova, Dmitry S. Kopchuk, Oleg S. El’tsov, Pavel A. Slepukhin and Valery N. Charushin
Molecules 2024, 29(11), 2497; https://doi.org/10.3390/molecules29112497 - 24 May 2024
Abstract
Two series of novel [1,2,4]triazolo[4,3-c]- and [1,2,4]triazolo[1,5-c]quinazoline fluorophores with 4′-amino[1,1′]-biphenyl residue at position 5 have been prepared via Pd-catalyzed cross-coupling Suzuki–Miyaura reactions. The treatment of 2-(4-bromophenyl)-4-hydrazinoquinazoline
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Two series of novel [1,2,4]triazolo[4,3-c]- and [1,2,4]triazolo[1,5-c]quinazoline fluorophores with 4′-amino[1,1′]-biphenyl residue at position 5 have been prepared via Pd-catalyzed cross-coupling Suzuki–Miyaura reactions. The treatment of 2-(4-bromophenyl)-4-hydrazinoquinazoline with orthoesters in solvent-free conditions or in absolute ethanol leads to the formation of [4,3-c]-annulated triazoloquinazolines, whereas [1,5-c] isomers are formed in acidic media as a result of Dimroth rearrangement. A 1D-NMR and 2D-NMR spectroscopy, as well as a single-crystal X-ray diffraction analysis, unambiguously confirmed the annelation type and determined the molecular structure of p-bromophenyl intermediates and target products. Photophysical properties of the target compounds were investigated in two solvents and in the solid state and compared with those of related 3-aryl-substituted [1,2,4]triazolo[4,3-c]quinazolines. The exclusion of the aryl fragment from the triazole ring has been revealed to improve fluorescence quantum yield in solution. Most of the synthesized structures show moderate to high quantum yields in solution. Additionally, the effect of solvent polarity on the absorption and emission spectra of fluorophores has been studied, and considerable fluorosolvatochromism has been stated. Moreover, electrochemical investigation and DFT calculations have been performed; their results are consistent with the experimental observation.
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(This article belongs to the Special Issue Synthesis and Properties of Heterocyclic Compounds: Recent Advances)
Open AccessArticle
Synthesis, X-ray Studies and Photophysical Properties of Iridium(III) Complexes Incorporating Functionalized 2,2′:6′,2″ Terpyridines and 2,6-Bis(thiazol-2-yl)pyridines
by
Bartosz Zowiślok, Anna Świtlicka, Anna Maroń and Mariola Siwy
Molecules 2024, 29(11), 2496; https://doi.org/10.3390/molecules29112496 - 24 May 2024
Abstract
A series of iridium(III) triimine complexes incorporating 2,2′:6′,2″-terpyridine (terpy) and 2,6-bis(thiazol-2-yl)pyridine (dtpy) derivatives were successfully designed and synthesized to investigate the impact of the peripheral rings (pyridine, thiazole) and substituents (thiophene, bithiophene, EDOT) attached to the triimine skeleton on
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A series of iridium(III) triimine complexes incorporating 2,2′:6′,2″-terpyridine (terpy) and 2,6-bis(thiazol-2-yl)pyridine (dtpy) derivatives were successfully designed and synthesized to investigate the impact of the peripheral rings (pyridine, thiazole) and substituents (thiophene, bithiophene, EDOT) attached to the triimine skeleton on their photophysical properties. The Ir(III) complexes were fully characterized using IR, 1H, elemental analysis and single crystal X-ray analysis. Their thermal properties were evaluated using TGA measurements. Photoluminescence spectra of [IrCl3L1–6] were investigated in solution at 298 and 77 K. The experimental studies were accompanied by DFT/TDDFT calculations. The photophysical properties of the synthesized triimine ligands and Ir(III) complexes were studied in detail by electronic absorption and emission. In solution, they exhibited photoluminescence quantum yields ranging from 1.27% to 5.30% depending on the chemical structure. The experimental research included DFT/TDDFT calculations. The photophysical properties of the synthesized triimine ligands and Ir(III) complexes were conducted using electronic absorption and emission techniques. In solution, they displayed photoluminescence quantum yields ranging from 1.27% to 5.30% depending on the chemical structure.
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(This article belongs to the Special Issue Electrochemistry of Organic and Organometallic Compounds)
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[FeIIICl(TMPPH2)][FeIIICl4]2: A Stand-Alone Molecular Nanomedicine That Induces High Cytotoxicity by Ferroptosis
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Xiao Wang, Jia-Hao Feng, Chun-Mei Zeng, Ze-Sheng Zhang, Feng-Lin Cao, Wen-Hua Zhang, Jin-Xiang Chen and David J. Young
Molecules 2024, 29(11), 2495; https://doi.org/10.3390/molecules29112495 - 24 May 2024
Abstract
Developing clinically meaningful nanomedicines for cancer therapy requires the drugs to be effective, safe, simple, cheap, and easy to store. In the present work, we report that a simple cationic Fe(III)-rich salt of [FeIIICl(TMPPH2)][FeIIICl4]2
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Developing clinically meaningful nanomedicines for cancer therapy requires the drugs to be effective, safe, simple, cheap, and easy to store. In the present work, we report that a simple cationic Fe(III)-rich salt of [FeIIICl(TMPPH2)][FeIIICl4]2 (Fe-TMPP) exhibits a superior anticancer performance on a broad spectrum of cancer cell lines, including breast, colorectal cancer, liver, pancreatic, prostate, and gastric cancers, with half maximal inhibitory concentration (IC50) values in the range of 0.098−3.97 μM (0.066−2.68 μg mL−1), comparable to the best-reported medicines. Fe-TMPP can form stand-alone nanoparticles in water without the need for extra surface modification or organic-solvent-assisted antisolvent precipitation. Critically, Fe-TMPP is TME-responsive (TME = tumor microenvironment), and can only elicit its function in the TME with overexpressed H2O2, converting H2O2 to the cytotoxic •OH to oxidize the phospholipid of the cancer cell membrane, causing ferroptosis, a programmed cell death process of cancer cells.
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(This article belongs to the Special Issue Exclusive Papers of the Editorial Board Members and Topical Advisory Panel Members of Molecules in the Section “Applied Chemistry”)
Open AccessArticle
Validation of an Analytical Method of 3′,4′,5-Trihydroxy-3-Methoxy-6,7-Methylenedioxyflavone 4′-Glucuronide for Standardization of Spinacia oleracea
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Yun Gon Son, Juyoung Jung, Dong Kun Lee, Sang Won Park, Jeong Yoon Kim and Hyun Joon Kim
Molecules 2024, 29(11), 2494; https://doi.org/10.3390/molecules29112494 - 24 May 2024
Abstract
Spinach (Spinacia oleracea) is one of the most famous vegetables worldwide, rich in essential metabolites for various health benefits. It is a valuable plant source that has the potential to be a nutraceutical. This study aimed to evaluate the single characteristic
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Spinach (Spinacia oleracea) is one of the most famous vegetables worldwide, rich in essential metabolites for various health benefits. It is a valuable plant source that has the potential to be a nutraceutical. This study aimed to evaluate the single characteristic marker compound to establish the validation of HPLC-DAD methods applied to the development of a nutraceutical using spinach samples. Six metabolites (1–6) were identified from the spinach samples such as freeze-dried spinach (FDS) and spinach extract concentrate (SEC) by LC-Q-TOF/MS analysis. Among the six metabolites, 3′,4′,5-trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4′-glucuronide (TMG) was selected as a marker compound due to its highest abundance and high selectivity. The specificity, accuracy, linearity, precision, repeatability, limit of detection (LOD), and limit of quantification (LOQ) of TMG in the spinach samples (FDS and SEC) were validated according to AOAC international guideline. The specificity was confirmed by monitoring the well separation of the marker compound from other compounds of spinach samples in the base peak intensity (BPI) and ultraviolet (UV) chromatogram. The calibration curve of TMG (15.625~500 μg/mL) had reasonable linearity (R2 = 0.999) considered with LOD and LOQ values, respectively. Recovery rate of TMG was 93–101% for FDS and 90–95% for SEC. The precision was less than 3 and 6% in the intraday and interday. As a result, the HPLC-DAD validation method of TMG in the spinach samples (FDS and SEC) was first established with AOAC and KFDA regulations for approving functional ingredients in functional foods.
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(This article belongs to the Special Issue Chromatographic Methods for Monitoring Food Safety and Quality)
Open AccessArticle
Kallopterolides A–I, a New Subclass of seco-Diterpenes Isolated from the Southwestern Caribbean Sea Plume Antillogorgia kallos
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Jeffrey Marrero, Luis A. Amador, Ivan M. Novitskiy, Andrei G. Kutateladze and Abimael D. Rodríguez
Molecules 2024, 29(11), 2493; https://doi.org/10.3390/molecules29112493 - 24 May 2024
Abstract
Kallopterolides A–I (1–9), a family of nine diterpenoids possessing either a cleaved pseudopterane or a severed cembrane skeleton, along with several known compounds were isolated from the Caribbean Sea plume Antillogorgia kallos. The structures and relative configurations of
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Kallopterolides A–I (1–9), a family of nine diterpenoids possessing either a cleaved pseudopterane or a severed cembrane skeleton, along with several known compounds were isolated from the Caribbean Sea plume Antillogorgia kallos. The structures and relative configurations of 1–9 were characterized by analysis of HR-MS, IR, UV, and NMR spectroscopic data in addition to computational methods and side-by-side comparisons with published NMR data of related congeners. An investigation was conducted as to the potential of the kallopterolides as plausible in vitro anti-inflammatory, antiprotozoal, and antituberculosis agents.
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(This article belongs to the Special Issue Extraction, Analysis and Biological Activity Studies of Compounds from Natural Products—Second Edition)
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Recent Advances in Amphipathic Peptidomimetics as Antimicrobial Agents to Combat Drug Resistance
by
Ma Su and Yongxiang Su
Molecules 2024, 29(11), 2492; https://doi.org/10.3390/molecules29112492 - 24 May 2024
Abstract
The development of antimicrobial drugs with novel structures and clear mechanisms of action that are active against drug-resistant bacteria has become an urgent need of safeguarding human health due to the rise of bacterial drug resistance. The discovery of AMPs and the development
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The development of antimicrobial drugs with novel structures and clear mechanisms of action that are active against drug-resistant bacteria has become an urgent need of safeguarding human health due to the rise of bacterial drug resistance. The discovery of AMPs and the development of amphipathic peptidomimetics have lay the foundation for novel antimicrobial agents to combat drug resistance due to their overall strong antimicrobial activities and unique membrane-active mechanisms. To break the limitation of AMPs, researchers have invested in great endeavors through various approaches in the past years. This review summarized the recent advances including the development of antibacterial small molecule peptidomimetics and peptide-mimic cationic oligomers/polymers, as well as mechanism-of-action studies. As this exciting interdisciplinary field is continuously expanding and growing, we hope this review will benefit researchers in the rational design of novel antimicrobial peptidomimetics in the future.
Full article
(This article belongs to the Special Issue Molecular Approaches to Drug Discovery and Development)
Open AccessArticle
Evidence of a Proximity Effect in a (AgI)x − C(1 − x) Mixture Using a Simulation Model Based on Random Variable Theory
by
Hernando Correa, Diego Peña Lara and Edgar Mosquera-Vargas
Molecules 2024, 29(11), 2491; https://doi.org/10.3390/molecules29112491 - 24 May 2024
Abstract
Silver iodide is a prototype compound of superionic conductors that allows ions to flow through its structure. It exhibits a first-order phase transition at 420 K, characterized by an abrupt change in its ionic conductivity behavior, and above this temperature, its ionic conductivity
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Silver iodide is a prototype compound of superionic conductors that allows ions to flow through its structure. It exhibits a first-order phase transition at 420 K, characterized by an abrupt change in its ionic conductivity behavior, and above this temperature, its ionic conductivity increases by more than three orders of magnitude. Introducing small concentrations of carbon into the silver iodide structure produces a new material with a mixed conductivity (ionic and electronic) that increases with increasing temperature. In this work, we report the experimental results of the ionic conductivity as a function of the reciprocal temperature for the (AgI)x − C(1 − x) mixture at low carbon concentrations (x = 0.99, 0.98, and 0.97). The ionic conductivity behavior as a function of reciprocal temperature was well fitted using a phenomenological model based on a random variable theory with a probability distribution function for the carriers. The experimental data show a proximity effect between the C and AgI phases. As a consequence of this proximity behavior, carbon concentration or temperature can control the conductivity of the (AgI)x − C(1 − x) mixture.
Full article
(This article belongs to the Special Issue 2D Nanomaterials and Composites for Energy and Environmental Sustainability—2nd Edition)
Open AccessArticle
Development and Validation of a Sonication-Assisted Dispersive Liquid–Liquid Microextraction Procedure and an HPLC-PDA Method for Quantitative Determination of Zolpidem in Human Plasma and Its Application to Forensic Samples
by
Inés Sánchez-Sellero, Pamela Cabarcos-Fernández, María Elena Jaureguízar-Rodríguez, Iván Álvarez-Freire, María Jesús Tabernero-Duque and Ana María Bermejo-Barrera
Molecules 2024, 29(11), 2490; https://doi.org/10.3390/molecules29112490 - 24 May 2024
Abstract
The use of z-drugs has increased worldwide since its introduction. Although the prescribing patterns of hypnotics differ among countries, zolpidem is the most widely used z-drug in the world. Zolpidem may be involved in poisoning and deaths. A simple and fast HPLC-PDA method
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The use of z-drugs has increased worldwide since its introduction. Although the prescribing patterns of hypnotics differ among countries, zolpidem is the most widely used z-drug in the world. Zolpidem may be involved in poisoning and deaths. A simple and fast HPLC-PDA method was developed and validated. Zolpidem and the internal standard chloramphenicol were extracted from plasma using a sonication-assisted dispersive liquid–liquid microextraction procedure. The method was validated including selectivity, linearity, precision, accuracy, and recovery. The calibration range (0.15–0.6 µg/mL) covers therapeutic and toxic levels of zolpidem in plasma. The limit of quantification was set at 0.15 µg/mL. Intra- and interday accuracy and precision values were lower than 15% at the concentration levels studied. Excellent recovery results were obtained for all concentrations. The proposed method was successfully applied to ten real postmortem plasma samples. In our series, multiple substances (alcohol and/or other drugs) were detected in most cases of death involving zolpidem. Our analytical method is suitable for routine toxicological analysis.
Full article
(This article belongs to the Section Analytical Chemistry)
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Open AccessArticle
Adsorption of Pb, Cu, and Ni Ions on Activated Carbon Prepared from Oak Cupules: Kinetics and Thermodynamics Studies
by
Dima Khater, Manal Alkhabbas and Alaa M. Al-Ma’abreh
Molecules 2024, 29(11), 2489; https://doi.org/10.3390/molecules29112489 - 24 May 2024
Abstract
Agricultural residue-activated carbon and biochar, inexpensive and environmentally friendly adsorbent materials, have recently received significant research attention. This study investigated the potential use of oak cupules in activated carbon form to remove widespread heavy metals (Pb2+, Cu2+, and Ni
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Agricultural residue-activated carbon and biochar, inexpensive and environmentally friendly adsorbent materials, have recently received significant research attention. This study investigated the potential use of oak cupules in activated carbon form to remove widespread heavy metals (Pb2+, Cu2+, and Ni2+) from wastewater. The oak-activated carbon was prepared from oak cupules and activated with phosphoric acid. Oak-activated carbon was characterized using FTIR, BET analysis, energy-dispersive X-ray spectrometry (EDS), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). The Freundlich, Langmuir, and Temkin isotherm models were used to assess the equilibrium data. The impact of various parameters, including pH effect, temperature, adsorbent dose, and contact time, was estimated. The Freundlich model was the most agreeable with Pb2+ adsorption by oak-based activated carbon, and Langmuir was more compatible with Cu+2 and Ni+2. Under optimum conditions, the average maximum removal was 63% Pb2+, 60% Cu2+, and 54% Ni2+ when every ion was alone in the aqueous solution. The removal was enhanced to 98% Pb2+, 72% Cu2+, and 60% Ni2+ when found as a mixture. The thermodynamic model revealed that the adsorption of ions by oak-based activated carbon is endothermic. The pseudo-second-order kinetic best describes the adsorption mechanism in this study; it verifies chemical sorption as the rate-limiting step in adsorption mechanisms. The oak-activated carbon was effective in removing Pb2+, Cu2+, and Ni2+ from wastewater and aqueous solutions.
Full article
Open AccessReview
State of the Art in the Development of Human Serum Carnosinase Inhibitors
by
Luca Regazzoni
Molecules 2024, 29(11), 2488; https://doi.org/10.3390/molecules29112488 - 24 May 2024
Abstract
Human serum carnosinase is an enzyme that operates the preferential hydrolysis of dipeptides with a C-terminus histidine. Only higher primates excrete such an enzyme in serum and cerebrospinal fluid. In humans, the serum hydrolytic rate has high interindividual variability owing to gene polymorphism,
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Human serum carnosinase is an enzyme that operates the preferential hydrolysis of dipeptides with a C-terminus histidine. Only higher primates excrete such an enzyme in serum and cerebrospinal fluid. In humans, the serum hydrolytic rate has high interindividual variability owing to gene polymorphism, although age, gender, diet, and also diseases and surgical interventions can modify serum activity. Human genetic diseases with altered carnosinase activity have been identified and associated with neurological disorders and age-related cognitive decline. On the contrary, low peripheral carnosinase activity has been associated with kidney protection, especially in diabetic nephropathy. Therefore, serum carnosinase is a druggable target for the development of selective inhibitors. However, only one molecule (i.e., carnostatine) has been discovered with the purpose of developing serum carnosinase inhibitors. Bestatin is the only inhibitor reported other than carnostatine, although its activity is not selective towards serum carnosinase. Herein, we present a review of the most critical findings on human serum carnosinase, including enzyme expression, localization and substrate selectivity, along with factors affecting the hydrolytic activity, its implication in human diseases and the properties of known inhibitors of the enzyme.
Full article
(This article belongs to the Special Issue Enzyme Inhibitors: Design, Synthesis and Biological Evaluation, 2nd Edition)
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