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
A Review of Ultrasonic Treatment in Mineral Flotation: Mechanism and Recent Development
Molecules 2024, 29(9), 1984; https://doi.org/10.3390/molecules29091984 (registering DOI) - 25 Apr 2024
Abstract
Ultrasonic treatment has been widely used in the mineral flotation process due to its advantages in terms of operational simplicity, no secondary pollutant formation, and safety. Currently, many studies have reported the effect of ultrasonic treatment on mineral flotation and shown excellent flotation
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Ultrasonic treatment has been widely used in the mineral flotation process due to its advantages in terms of operational simplicity, no secondary pollutant formation, and safety. Currently, many studies have reported the effect of ultrasonic treatment on mineral flotation and shown excellent flotation performance. In this review, the ultrasonic mechanisms are classified into three types: the transient cavitation effect, stable cavitation effect, and acoustic radiation force effect. The effect of the main ultrasonic parameters, including ultrasonic power and ultrasonic frequency, on mineral flotation are discussed. This review highlights the uses of the application of ultrasonic treatment in minerals (such as the cleaning effect, ultrasonic corrosion, and desulfuration), flotation agents (such as dispersion and emulsification and change in properties and microstructure of pharmaceutical solution), and slurry (such formation of microbubbles and coalescence). Additionally, this review discusses the challenges and prospects of using ultrasonic approaches for mineral flotation. The findings demonstrate that the application of the ultrasonic effect yields diverse impacts on flotation, thereby enabling the regulation of flotation behavior through various treatment methods to enhance flotation indices and achieve the desired objectives.
Full article
(This article belongs to the Section Ultrasound Chemistry)
Open AccessArticle
High-Temperature Hydrothermal Extraction of Phenolic Compounds from Brewer’s Spent Grain and Malt Dust Biomass Using Natural Deep Eutectic Solvents
by
Dries Bleus, Heike Blockx, Emma Gesquiere, Peter Adriaensens, Pieter Samyn, Wouter Marchal and Dries Vandamme
Molecules 2024, 29(9), 1983; https://doi.org/10.3390/molecules29091983 (registering DOI) - 25 Apr 2024
Abstract
Aligned with the EU Sustainable Development Goals 2030 (EU SDG2030), extensive research is dedicated to enhancing the sustainable use of biomass waste for the extraction of pharmaceutical and nutritional compounds, such as (poly-)phenolic compounds (PC). This study proposes an innovative one-step hydrothermal extraction
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Aligned with the EU Sustainable Development Goals 2030 (EU SDG2030), extensive research is dedicated to enhancing the sustainable use of biomass waste for the extraction of pharmaceutical and nutritional compounds, such as (poly-)phenolic compounds (PC). This study proposes an innovative one-step hydrothermal extraction (HTE) at a high temperature (120 °C), utilizing environmentally friendly acidic natural deep eutectic solvents (NADESs) to replace conventional harmful pre-treatment chemicals and organic solvents. Brewer’s spent grain (BSG) and novel malt dust (MD) biomass sources, both obtained from beer production, were characterized and studied for their potential as PC sources. HTE, paired with mild acidic malic acid/choline chloride (MA) NADES, was compared against conventional (heated and stirred maceration) and modern (microwave-assisted extraction; MAE) state-of-the-art extraction methods. The quantification of key PC in BSG and MD using liquid chromatography (HPLC) indicated that the combination of elevated temperatures and acidic NADES could provide significant improvements in PC extraction yields ranging from 251% (MD-MAC-MA: 29.3 µg/g; MD-HTE-MA: 103 µg/g) to 381% (BSG-MAC-MA: 78 µg/g; BSG-HTE-MA: 375 µg/g). The superior extraction capacity of MA NADES over non-acidic NADES (glycerol/choline chloride) and a traditional organic solvent mixture (acetone/H2O) could be attributed to in situ acid-catalysed pre-treatment facilitating the release of bound PC from lignin–hemicellulose structures. Qualitative 13C-NMR and pyro-GC-MS analysis was used to verify lignin–hemicellulose breakdown during extraction and the impact of high-temperature MA NADES extraction on the lignin–hemicellulose structure. This in situ acid NADES-catalysed high-temperature pre-treatment during PC extraction offers a potential green pre-treatment for use in cascade valorisation strategies (e.g., lignin valorisation), enabling more intensive usage of available biomass waste stream resources.
Full article
(This article belongs to the Special Issue Advances in Deep Eutectic Solvents)
Open AccessArticle
Chalkophomycin Biosynthesis Revealing Unique Enzyme Architecture for a Hybrid Nonribosomal Peptide Synthetase and Polyketide Synthase
by
Long Yang, Liwei Yi, Bang Gong, Lili Chen, Miao Li, Xiangcheng Zhu, Yanwen Duan and Yong Huang
Molecules 2024, 29(9), 1982; https://doi.org/10.3390/molecules29091982 (registering DOI) - 25 Apr 2024
Abstract
Chalkophomycin is a novel chalkophore with antibiotic activities isolated from Streptomyces sp. CB00271, while its potential in studying cellular copper homeostasis makes it an important probe and drug lead. The constellation of N-hydroxylpyrrole, 2H-oxazoline, diazeniumdiolate, and methoxypyrrolinone functional groups into
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Chalkophomycin is a novel chalkophore with antibiotic activities isolated from Streptomyces sp. CB00271, while its potential in studying cellular copper homeostasis makes it an important probe and drug lead. The constellation of N-hydroxylpyrrole, 2H-oxazoline, diazeniumdiolate, and methoxypyrrolinone functional groups into one compact molecular architecture capable of coordinating cupric ions draws interest to unprecedented enzymology responsible for chalkophomycin biosynthesis. To elucidate the biosynthetic machinery for chalkophomycin production, the chm biosynthetic gene cluster from S. sp. CB00271 was identified, and its involvement in chalkophomycin biosynthesis was confirmed by gene replacement. The chm cluster was localized to a ~31 kb DNA region, consisting of 19 open reading frames that encode five nonribosomal peptide synthetases (ChmHIJLO), one modular polyketide synthase (ChmP), six tailoring enzymes (ChmFGMNQR), two regulatory proteins (ChmAB), and four resistance proteins (ChmA′CDE). A model for chalkophomycin biosynthesis is proposed based on functional assignments from sequence analysis and structure modelling, and is further supported by analogy to over 100 chm-type gene clusters in public databases. Our studies thus set the stage to fully investigate chalkophomycin biosynthesis and to engineer chalkophomycin analogues through a synthetic biology approach.
Full article
(This article belongs to the Special Issue Advances in the Biosynthesis and Chemical Synthesis of Natural Products)
Open AccessReview
CBD in the Treatment of Epilepsy
by
Kinga Borowicz-Reutt, Julia Czernia and Marlena Krawczyk
Molecules 2024, 29(9), 1981; https://doi.org/10.3390/molecules29091981 (registering DOI) - 25 Apr 2024
Abstract
It has been several years since highly purified cannabidiol (CBD) was registered as a medication that can be used in children of at least 2 years of age to treat different types of seizures related to Lennox–Gastaut syndrome (LGS), Dravet syndrome (DS), and
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It has been several years since highly purified cannabidiol (CBD) was registered as a medication that can be used in children of at least 2 years of age to treat different types of seizures related to Lennox–Gastaut syndrome (LGS), Dravet syndrome (DS), and more recently tuberous sclerosis complex (TSC). During this time, 39 randomized clinical trials (RCTs) and 13 meta-analyses on the efficacy and safety of CBD treatment have been published. Each of the meta-analyses had its own criteria for the RCTs' inclusion and, therefore, slightly different interpretations of the analyzed data. Each of them contributed in its own way to the understanding of CBD pharmacology, mechanisms of therapeutic action, development of adverse reactions, and drug–drug interactions. Hence, it seemed reasonable to gather the most relevant data in one article and present all the current knowledge on the use of CBD in epilepsy. The results of the 13 meta-analyses presented herein confirmed the effectiveness and safety of CBD in children and adolescents with DREs. In adults, reliable conclusions cannot be drawn due to insufficient data.
Full article
(This article belongs to the Collection Bioactive Natural Molecules from Functional Foods)
Open AccessArticle
Protection of Si Nanowires against Aβ Toxicity by the Inhibition of Aβ Aggregation
by
Xuechun Zhao, Chenye Mou, Jiayi Xu, Wei Cui, Yijing Shi, Yangzhe Wang, Tian Luo, Wei Guo, Jichun Ye and Wanghua Chen
Molecules 2024, 29(9), 1980; https://doi.org/10.3390/molecules29091980 (registering DOI) - 25 Apr 2024
Abstract
Alzheimer’s disease (AD) is a progressive neurodegenerative disease characterized by the accumulation of amyloid beta (Aβ) plaques in the brain. Aβ1–42 is the main component of Aβ plaque, which is toxic to neuronal cells. Si nanowires (Si NWs)
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Alzheimer’s disease (AD) is a progressive neurodegenerative disease characterized by the accumulation of amyloid beta (Aβ) plaques in the brain. Aβ1–42 is the main component of Aβ plaque, which is toxic to neuronal cells. Si nanowires (Si NWs) have the advantages of small particle size, high specific surface area, and good biocompatibility, and have potential application prospects in suppressing Aβ aggregation. In this study, we employed the vapor–liquid–solid (VLS) growth mechanism to grow Si NWs using Au nanoparticles as catalysts in a plasma-enhanced chemical vapor deposition (PECVD) system. Subsequently, these Si NWs were transferred to a phosphoric acid buffer solution (PBS). We found that Si NWs significantly reduced cell death in PC12 cells (rat adrenal pheochromocytoma cells) induced by Aβ1–42 oligomers via double staining with 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) and fluorescein diacetate/propyl iodide (FDA/PI). Most importantly, pre-incubated Si NWs largely prevented Aβ1–42 oligomer-induced PC12 cell death, suggesting that Si NWs exerts an anti-Aβ neuroprotective effect by inhibiting Aβ aggregation. The analysis of Fourier Transform Infrared (FTIR) results demonstrates that Si NWs reduce the toxicity of fibrils and oligomers by intervening in the formation of β-sheet structures, thereby protecting the viability of nerve cells. Our findings suggest that Si NWs may be a potential therapeutic agent for AD by protecting neuronal cells from the toxicity of Aβ1–42.
Full article
(This article belongs to the Section Nanochemistry)
Open AccessArticle
Charge Storage Properties of Ferrimagnetic BaFe12O19 and Polypyrrole–BaFe12O19 Composites
by
Silin Chen and Igor Zhitomirsky
Molecules 2024, 29(9), 1979; https://doi.org/10.3390/molecules29091979 (registering DOI) - 25 Apr 2024
Abstract
This investigation is motivated by an interest in multiferroic BaFe12O19 (BFO), which combines advanced ferrimagnetic and ferroelectric properties at room temperature and exhibits interesting magnetoelectric phenomena. The ferroelectric charge storage properties of BFO are limited due to high coercivity, low
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This investigation is motivated by an interest in multiferroic BaFe12O19 (BFO), which combines advanced ferrimagnetic and ferroelectric properties at room temperature and exhibits interesting magnetoelectric phenomena. The ferroelectric charge storage properties of BFO are limited due to high coercivity, low dielectric constant, and high dielectric losses. We report the pseudocapacitive behavior of BFO, which allows superior charge storage compared to the ferroelectric charge storage mechanism. The BFO electrodes show a remarkably high capacitance of 1.34 F cm−2 in a neutral Na2SO4 electrolyte. The charging mechanism is discussed. The capacitive behavior is linked to the beneficial effect of high-energy ball milling (HEBM) and the use of an efficient dispersant, which facilitates charge transfer. Another approach is based on the use of conductive polypyrrole (PPy) for the fabrication of PPy-BFO composites. The choice of new polyaromatic dopants with a high charge-to-mass ratio plays a crucial role in achieving a high capacitance of 4.66 F cm−2 for pure PPy electrodes. The composite PPy-BFO (50/50) electrodes show a capacitance of 3.39 F cm−2, low impedance, reduced charge transfer resistance, enhanced capacitance retention at fast charging rates, and good cyclic stability due to the beneficial effect of advanced dopants, HEBM, and synergy of the contribution of PPy and BFO.
Full article
Open AccessArticle
Potential Use of Andean Tuber Waste for the Generation of Environmentally Sustainable Bioelectricity
by
Segundo Rojas-Flores, Magaly De La Cruz-Noriega, Luis Cabanillas-Chirinos, Nélida Milly Otiniano, Nancy Soto-Deza, Nicole Terrones-Rodriguez and Mayra De La Cruz-Cerquin
Molecules 2024, 29(9), 1978; https://doi.org/10.3390/molecules29091978 (registering DOI) - 25 Apr 2024
Abstract
The growing demand for agricultural products has increased exponentially, causing their waste to increase and become a problem for society. Searching for sustainable solutions for organic waste management is increasingly urgent. This research focuses on considering the waste of an Andean tuber, such
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The growing demand for agricultural products has increased exponentially, causing their waste to increase and become a problem for society. Searching for sustainable solutions for organic waste management is increasingly urgent. This research focuses on considering the waste of an Andean tuber, such as Olluco, as a fuel source for generating electricity and becoming a potential sustainable energy source for companies dedicated to this area. This research used Olluco waste as fuel in single-chamber microbial fuel cells using carbon and zinc electrodes. An electric current and electric potential of 6.4 ± 0.4 mA and 0.99 ± 0.09 V were generated, operating with an electrical conductivity of 142.3 ± 6.1 mS/cm and a pH of 7.1 ± 0.2. It was possible to obtain a 94% decrease in COD and an internal resistance of 24.9 ± 2.8 Ω. The power density found was 373.8 ± 28.8 mW/cm2 and the current density was 4.96 A/cm2. On day 14, the cells were connected in earnest, achieving a power of 2.92 V and generating enough current to light an LED light bulb, thus demonstrating the potential that Olluco waste has to be used as fuel in microbial fuel cells.
Full article
(This article belongs to the Topic Biomass Transformation: Sustainable Development)
Open AccessArticle
Probing the Immunoreceptor Tyrosine-Based Inhibition Motif Interaction Protein Partners with Proteomics
by
Yujun Gao, Shu Xing and Lianghai Hu
Molecules 2024, 29(9), 1977; https://doi.org/10.3390/molecules29091977 (registering DOI) - 25 Apr 2024
Abstract
Phosphorylation of tyrosine is the basic mode of protein function and signal transduction in organisms. This process is regulated by protein tyrosine kinases (PTKs) and protein tyrosinases (PTPs). Immunoreceptor tyrosine-based inhibition motif (ITIM) has been considered as regulating the PTP activity through the
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Phosphorylation of tyrosine is the basic mode of protein function and signal transduction in organisms. This process is regulated by protein tyrosine kinases (PTKs) and protein tyrosinases (PTPs). Immunoreceptor tyrosine-based inhibition motif (ITIM) has been considered as regulating the PTP activity through the interaction with the partner proteins in the cell signal pathway. The ITIM sequences need to be phosphorylated first to active the downstream signaling proteins. To explore potential regulatory mechanisms, the ITIM sequences of two transmembrane immunoglobulin proteins, myelin P0 protein-related protein (PZR) and programmed death 1 (PD-1), were analyzed to investigate their interaction with proteins involved in regulatory pathways. We discovered that phosphorylated ITIM sequences can selectively interact with the tyrosine phosphatase SHP2. Specifically, PZR-N-ITIM (pY) may be critical in the interaction between the ITIM and SH2 domains of SHP2, while PD1-C-ITSM (pY) may play a key role in the interaction between the ITIM and SH2 domains of SHP2. Quite a few proteins were identified containing the SH2 domain, exhibiting phosphorylation-mediated interaction with PZR-ITIM. In this study, 14 proteins with SH2 structural domains were identified by GO analysis on 339 proteins associated to the affinity pull-down of PZR-N-ITIM (pY). Through the SH2 domains, these proteins may interact with PZR-ITIM in a phosphorylation-dependent manner.
Full article
(This article belongs to the Special Issue Chemical Biology in Asia)
Open AccessArticle
Enrichment and Evaluation of Antitumor Properties of Total Flavonoids from Juglans mandshurica Maxim
by
Shuli Yang, Guodong Chu, Jiacheng Wu, Guofeng Zhang, Linna Du and Ruixin Lin
Molecules 2024, 29(9), 1976; https://doi.org/10.3390/molecules29091976 (registering DOI) - 25 Apr 2024
Abstract
Flavonoids are important secondary metabolites found in Juglans mandshurica Maxim., which is a precious reservoir of bioactive substances in China. To explore the antitumor actions of flavonoids (JMFs) from the waste branches of J. mandshurica, the following optimized purification parameters of JMFs
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Flavonoids are important secondary metabolites found in Juglans mandshurica Maxim., which is a precious reservoir of bioactive substances in China. To explore the antitumor actions of flavonoids (JMFs) from the waste branches of J. mandshurica, the following optimized purification parameters of JMFs by macroporous resins were first obtained. The loading concentration, flow rate, and loading volume of raw flavonoid extracts were 1.4 mg/mL, 2.4 BV/h, and 5 BV, respectively, and for desorption, 60% ethanol (4 BV) was selected to elute JMFs-loaded AB-8 resin at a flow rate of 2.4 BV/h. This adsorption behavior can be explained by the pseudo-second-order kinetic model and Langmuir isotherm model. Subsequently, JMFs were identified using Fourier transform infrared combined with high-performance liquid chromatography and tandem mass spectrometry, and a total of 156 flavonoids were identified. Furthermore, the inhibitory potential of JMFs on the proliferation, migration, and invasion of HepG2 cells was demonstrated. The results also show that exposure to JMFs induced apoptotic cell death, which might be associated with extrinsic and intrinsic pathways. Additionally, flow cytometry detection found that JMFs exposure triggered S phase arrest and the generation of reactive oxygen species in HepG2 cells. These findings suggest that the JMFs purified in this study represent great potential for the treatment of liver cancer.
Full article
(This article belongs to the Section Natural Products Chemistry)
Open AccessArticle
Purity Assessment of Tripropyl Phosphate through Mass Balance and 1H and 31P Quantitative Nuclear Magnetic Resonance
by
Yuebing Wan, Kangcong Li, Xiuqin Li, Xiaomin Li, Hongtao Chu and Qinghe Zhang
Molecules 2024, 29(9), 1975; https://doi.org/10.3390/molecules29091975 (registering DOI) - 25 Apr 2024
Abstract
Tripropyl phosphate (TnPP) is a commonly used organic phosphate flame retardant in the textiles, plastics, and coating industries. Residues are commonly detected in samples from the environment and food. The availability of certified reference materials (CRMs) is essential to ensure the accuracy and
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Tripropyl phosphate (TnPP) is a commonly used organic phosphate flame retardant in the textiles, plastics, and coating industries. Residues are commonly detected in samples from the environment and food. The availability of certified reference materials (CRMs) is essential to ensure the accuracy and traceability of detection results. In this study, a comprehensive characterization of a CRM for TnPP was carried out, and its purity was evaluated using two distinct methodologies: mass balance (MB) and quantitative nuclear magnetic resonance spectroscopy (qNMR). In the MB method, the levels of structurally related organic impurities are 1.37 mg/g. The water content was determined to be 3.16 mg/g, while inorganic impurities were found to be 0.87 mg/g, and no residual organic solvents were detected. Benzoic acid and monocrotophos were chosen as internal standards for 1H-qNMR and 31P-qNMR, respectively. The purity of the TnPP CRM was assessed as 994.6 mg/g, 994.1 mg/g, and 993.5 mg/g using MB, 1H-qNMR, and 31P-qNMR techniques, respectively. The verified purity of the TnPP CRM was ultimately determined to be 994.1 mg/g, with an expanded uncertainty of 3.4 mg/g (k = 2), ensuring traceability to the International System of Units (SI). This CRM can be effectively utilized for preparing calibration solutions suitable for the routine monitoring of TnPP residues in plastics and food samples.
Full article
(This article belongs to the Section Analytical Chemistry)
Open AccessArticle
Influence of Hydrothermal Modification on Adsorptive Performance of Clay Minerals for Malachite Green
by
Enwen Wang, Teng Huang, Qian Wu, Lanchun Huang, Desong Kong and Hai Wang
Molecules 2024, 29(9), 1974; https://doi.org/10.3390/molecules29091974 - 25 Apr 2024
Abstract
Artificially modified adsorbing materials mainly aim to remedy the disadvantages of natural materials as much as possible. Using clay materials such as rectorite, sodium bentonite and metakaolinite (solid waste material) as base materials, hydrothermally modified and unmodified materials were compared. CM-HT and CM
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Artificially modified adsorbing materials mainly aim to remedy the disadvantages of natural materials as much as possible. Using clay materials such as rectorite, sodium bentonite and metakaolinite (solid waste material) as base materials, hydrothermally modified and unmodified materials were compared. CM-HT and CM (adsorbing materials) were prepared and used to adsorb and purify wastewater containing malachite green (MG) dye, and the two materials were characterized through methods such as BET, FT-IR, SEM and XRD. Results: (1) The optimal conditions for hydrothermal modification of CM-HT were a temperature of 150 °C, a time of 2 h, and a liquid/solid ratio 1:20. (2) Hydrothermal modification greatly increased the adsorptive effect. The measured maximum adsorption capacity of CM-HT for MG reached 290.45 mg/g (56.92% higher than that of CM). The theoretical maximum capacity was 625.15 mg/g (186.15% higher than that of CM). (3) Because Al-OH and Si-O-Al groups were reserved in unmodified clay mineral adsorbing materials with good adsorbing activity, after hydrothermal modification, the crystal structure of the clay became loosened along the direction of the c axis, and the interlayer space increased to partially exchange interlayer metal cations connected to the bottom oxygen, giving CM-HT higher electronegativity and creating more crystal defects and chemically active adsorbing sites for high-performance adsorption. (4) Chemical adsorption was the primary way by which CM-HT adsorbed cationic dye, while physical adsorption caused by developed pore canal was secondary. The adsorption reaction occurred spontaneously.
Full article
(This article belongs to the Special Issue Chemical Technologies for Environmental Analysis and Pollution Removal)
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Open AccessArticle
In Silico Analysis: Anti-Inflammatory and α-Glucosidase Inhibitory Activity of New α-Methylene-γ-Lactams
by
Alexis Hernández-Guadarrama, Mónica Aideé Díaz-Román, Irma Linzaga-Elizalde, Blanca Eda Domínguez-Mendoza and A. Berenice Aguilar-Guadarrama
Molecules 2024, 29(9), 1973; https://doi.org/10.3390/molecules29091973 - 25 Apr 2024
Abstract
The research about α-methylene-γ-lactams is scarce; however, their synthesis has emerged in recent years mainly because they are isosters of α-methylene-γ-lactones. This last kind of compound is structurally most common in some natural products’ nuclei, like sesquiterpene lactones that show biological activity such
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The research about α-methylene-γ-lactams is scarce; however, their synthesis has emerged in recent years mainly because they are isosters of α-methylene-γ-lactones. This last kind of compound is structurally most common in some natural products’ nuclei, like sesquiterpene lactones that show biological activity such as anti-inflammatory, anticancer, antibacterial, etc., effects. In this work, seven α-methylene-γ-lactams were evaluated by their inflammation and α-glucosidase inhibition. Thus, compounds 3-methylene-4-phenylpyrrolidin-2-one (1), 3-methylene-4-(p-tolyl)pyrrolidin-2-one (2), 4-(4-chlorophenyl)-3-methylenepyrrolidin-2-one (3), 4-(2-chlorophenyl)-3-methylenepyrrolidin-2-one (4), 5-ethyl-3-methylene-4-phenylpyrrolidin-2-one (5), 5-ethyl-3-methylene-4-(p-tolyl)pyrrolidin-2-one (6) and 4-(4-chlorophenyl)-5-ethyl-3-methylenepyrrolidin-2-one (7) were evaluated via in vitro α-glucosidase assay at 1 mM concentration. From this analysis, 7 exerts the best inhibitory effect on α-glucosidase compared with the vehicle, but it shows a low potency compared with the reference drug at the same dose. On the other side, inflammation edema was induced using TPA (12-O-tetradecanoylphorbol 13-acetate) on mouse ears; compounds 1–7 were tested at 10 µg/ear dose. As a result, 1, 3, and 5 show a better inhibition than indomethacin, at the same doses. This is a preliminary report about the biological activity of these new α-methylene-γ-lactams.
Full article
(This article belongs to the Section Medicinal Chemistry)
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Open AccessReview
Pharmacological Activities of Lonicerae japonicae flos and Its Derivative—“Chrysoeriol” in Skin Diseases
by
Siu Kan Law, Xiao Xiao Wu, Zhou Jiang, Christy Wing Sum Tong, Wesley Yeuk Lung Chow and Dawn Ching Tung Au
Molecules 2024, 29(9), 1972; https://doi.org/10.3390/molecules29091972 - 25 Apr 2024
Abstract
Chrysoeriol is an active ingredient derived from the Chinese medicinal herb (CMH) “Lonicerae japonicae flos” in the dried flower bud or bloomed flower of Lonicera japonica Thunberg. Dermatoses are the most common diseases in humans, including eczema, acne, psoriasis, moles, and
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Chrysoeriol is an active ingredient derived from the Chinese medicinal herb (CMH) “Lonicerae japonicae flos” in the dried flower bud or bloomed flower of Lonicera japonica Thunberg. Dermatoses are the most common diseases in humans, including eczema, acne, psoriasis, moles, and fungal infections, which are temporary or permanent and may be painless or painful. Topical corticosteroids are widely used in Western medicine, but there are some side effects when it is continuously and regularly utilized in a large dosage. Chrysoeriol is a natural active ingredient, nontoxic, and without any adverse reactions in the treatment of dermatological conditions. Methods: Nine electronic databases were searched, including WanFang Data, PubMed, Science Direct, Scopus, Web of Science, Springer Link, SciFinder, and China National Knowledge Infrastructure (CNKI), without regard to language constraints. The pharmacological activities of chrysoeriol from Lonicerae japonicae flos to fight against skin diseases were explained and evaluated through the literature review of either in vitro or in vivo studies. Results: Chrysoeriol decreased the mRNA levels of proinflammatory cytokines IL-6, IL-1β, and TNF-α. These were transcriptionally regulated by NF-κB and STAT3 to combat skin inflammation. It also showed promising actions in treating many skin ailments including wound healing, depigmentation, photoprotection, and antiaging. Conclusion: The cutaneous route is the best delivery approach to chrysoeriol across the skin barrier. However, toxicity, dosage, and safety assessments of chrysoeriol in a formulation or nanochrysoeriol on the human epidermis for application in skin diseases must be further investigated.
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(This article belongs to the Special Issue Effect of Natural Products on Skin Diseases)
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Open AccessCommunication
Efficient Functionalization of Organosulfones via Photoredox Catalysis: Direct Incorporation of α-Carbonyl Alkyl Side Chains into α-Allyl-β-Ketosulfones
by
Hong-Li Huang, Shan Li, Yong-Zheng Lv, Ya-Qian Shi, Tian-Tian Pang, Ru-Fen Zhang, Wenjing Huang, Jianhui Yin and Fei Gao
Molecules 2024, 29(9), 1971; https://doi.org/10.3390/molecules29091971 - 25 Apr 2024
Abstract
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A novel and efficient method for functionalizing organosulfones has been established, utilizing a visible-light-driven intermolecular radical cascade cyclization of α-allyl-β-ketosulfones. This process employs fac-Ir(ppy)3 as the photoredox catalyst and α-carbonyl alkyl bromide as the oxidizing agent. Via
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A novel and efficient method for functionalizing organosulfones has been established, utilizing a visible-light-driven intermolecular radical cascade cyclization of α-allyl-β-ketosulfones. This process employs fac-Ir(ppy)3 as the photoredox catalyst and α-carbonyl alkyl bromide as the oxidizing agent. Via this approach, the substrates experience intermolecular addition of α-carbonyl alkyl radicals to the alkene bonds, initiating a sequence of C-C bond formations that culminate in the production of organosulfone derivatives. Notably, this technique features gentle reaction conditions and an exceptional compatibility with a wide array of functional groups, making it a versatile and valuable addition to the field of organic synthesis.
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Open AccessArticle
Chemical Characterization of the Essential Oil Compositions of Mentha spicata and M. longifolia ssp. cyprica from the Mediterranean Basin and Multivariate Statistical Analyses
by
Hasan İsfendiyaroğlu, Azmi Hanoğlu, Duygu Yiğit Hanoğlu, Fehmi B. Alkaş, Kemal Hüsnü Can Başer and Dudu Özkum Yavuz
Molecules 2024, 29(9), 1970; https://doi.org/10.3390/molecules29091970 - 25 Apr 2024
Abstract
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This present study aims to characterize the essential oil compositions of the aerial parts of M. spicata L. and endemic M. longifolia ssp. cyprica (Heinr. Braun) Harley by using GC-FID and GC/MS analyses simultaneously. In addition, it aims to perform multivariate statistical analysis
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This present study aims to characterize the essential oil compositions of the aerial parts of M. spicata L. and endemic M. longifolia ssp. cyprica (Heinr. Braun) Harley by using GC-FID and GC/MS analyses simultaneously. In addition, it aims to perform multivariate statistical analysis by comparing with the existing literature, emphasizing the literature published within the last two decades, conducted on both species growing within the Mediterranean Basin. The major essential oil components of M. spicata were determined as carvone (67.8%) and limonene (10.6%), while the major compounds of M. longifolia ssp. cyprica essential oil were pulegone (64.8%) and 1,8-cineole (10.0%). As a result of statistical analysis, three clades were determined for M. spicata: a carvone-rich chemotype, a carvone/trans-carveol chemotype, and a pulegone/menthone chemotype, with the present study result belonging to the carvone-rich chemotype. Carvone was a primary determinant of chemotype, along with menthone, pulegone, and trans-carveol. In M. longifolia, the primary determinants of chemotype were identified as pulegone and menthone, with three chemotype clades being pulegone-rich, combined menthone/pulegone, and combined menthone/pulegone with caryophyllene enrichment. The primary determinants of chemotype were menthone, pulegone, and caryophyllene. The present study result belongs to pulegone-rich chemotype.
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A Comparison between Bulgarian Tanacetum parthenium Essential Oil from Two Different Locations
by
Borislava Lechkova, Niko Benbassat, Diana Karcheva-Bahchevanska, Kalin Ivanov, Lyudmil Peychev, Zhivko Peychev, Stanislav Dyankov, Yoana Georgieva-Dimova, Krasimir Kraev and Stanislava Ivanova
Molecules 2024, 29(9), 1969; https://doi.org/10.3390/molecules29091969 - 25 Apr 2024
Abstract
Tanacetum parthenium L. (Asteraceae) is a perennial herbaceous plant with a long-standing historical use in traditional medicine. Recently Tanacetum parthenium L. essential oil has been associated with a promising potential for future applications in the pharmaceutical industry, in the cosmetics industry, and in
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Tanacetum parthenium L. (Asteraceae) is a perennial herbaceous plant with a long-standing historical use in traditional medicine. Recently Tanacetum parthenium L. essential oil has been associated with a promising potential for future applications in the pharmaceutical industry, in the cosmetics industry, and in agriculture. Investigations on the essential oil (EO) have indicated antimicrobial, antioxidant, and repellent activity. The present study aimed to evaluate the chemical composition of Bulgarian T. parthenium essential oil from two different regions, to compare the results to those reported previously in the literature, and to point out some of its future applications. The essential oils of the air-dried flowering aerial parts were obtained by hydrodistillation using a Clevenger-type apparatus. The chemical composition was evaluated using gas chromatography with mass spectrometry (GC-MS). It was established that the oxygenated monoterpenes were the predominant terpene class, followed by the monoterpene hydrocarbons. Significant qualitative and quantitative differences between both samples were revealed. Camphor (50.90%), camphene (16.12%), and bornyl acetate (6.05%) were the major constituents in the feverfew EO from the western Rhodope Mountains, while in the EO from the central Balkan mountains camphor (45.54%), trans-chrysanthenyl acetate (13.87%), and camphene (13.03%) were the most abundant components.
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(This article belongs to the Special Issue Essential Oils II)
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Exploring the Biomedical Potential of Terpenoid Alkaloids: Sources, Structures, and Activities
by
Xuyan Wang, Jianzeng Xin, Lili Sun, Yupei Sun, Yaxi Xu, Feng Zhao, Changshan Niu and Sheng Liu
Molecules 2024, 29(9), 1968; https://doi.org/10.3390/molecules29091968 - 25 Apr 2024
Abstract
Terpenoid alkaloids are recognized as a class of compounds with limited numbers but potent biological activities, primarily derived from plants, with a minor proportion originating from animals and microorganisms. These alkaloids are synthesized from the same prenyl unit that forms the terpene skeleton,
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Terpenoid alkaloids are recognized as a class of compounds with limited numbers but potent biological activities, primarily derived from plants, with a minor proportion originating from animals and microorganisms. These alkaloids are synthesized from the same prenyl unit that forms the terpene skeleton, with the nitrogen atom introduced through β-aminoethanol, ethylamine, or methylamine, leading to a range of complex and diverse structures. Based on their skeleton type, they can be categorized into monoterpenes, sesquiterpenes, diterpenes, and triterpene alkaloids. To date, 289 natural terpenoid alkaloids, excluding triterpene alkaloids, have been identified in studies published between 2019 and 2024. These compounds demonstrate a spectrum of biological activities, including anti-inflammatory, antitumor, antibacterial, analgesic, and cardioprotective effects, making them promising candidates for further development. This review provides an overview of the sources, chemical structures, and biological activities of natural terpenoid alkaloids, serving as a reference for future research and applications in this area.
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(This article belongs to the Special Issue Natural Terpenoid Alkaloids: Extraction, Phytochemistry Analysis and Human Health)
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3-Ethynyltriimidazo[1,2-a:1′,2′-c:1″,2″-e][1,3,5]triazine Dual Short- and Long-Lived Emissions with Crystallization-Enhanced Feature: Role of Hydrogen Bonds and π-π Interactions
by
Daniele Malpicci, Daniele Maver, Elisabetta Rosadoni, Alessia Colombo, Elena Lucenti, Daniele Marinotto, Chiara Botta, Fabio Bellina, Elena Cariati and Alessandra Forni
Molecules 2024, 29(9), 1967; https://doi.org/10.3390/molecules29091967 - 25 Apr 2024
Abstract
Organic room temperature phosphorescent (ORTP) materials with stimuli-responsive, multicomponent emissive behaviour are extremely desirable for various applications. The derivative of cyclic triimidazole (TT) functionalized with an ethynyl group, TT-CCH, is isolated and investigated. The compound possesses crystallization-enhanced emission (CEE) comprising
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Organic room temperature phosphorescent (ORTP) materials with stimuli-responsive, multicomponent emissive behaviour are extremely desirable for various applications. The derivative of cyclic triimidazole (TT) functionalized with an ethynyl group, TT-CCH, is isolated and investigated. The compound possesses crystallization-enhanced emission (CEE) comprising dual fluorescence and dual phosphorescence of both molecular and supramolecular origin with aggregation-induced components highly sensitive to grinding. The mechanisms involved in the emissions have been disclosed thanks to combined structural, spectroscopic and computational investigations. In particular, strong CH⋯N hydrogen bonds are deemed responsible, for the first time in the TT family, together with frequently observed π⋯π stacking interactions, for the aggregated fluorescence and phosphorescence.
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(This article belongs to the Special Issue Organic and Hybrid Materials for Photovoltaic and Photonic Applications II)
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Sc-Modified C3N4 Nanotubes for High-Capacity Hydrogen Storage: A Theoretical Prediction
by
Shuli Liu, Xiao Tang, Chang He, Tingting Wang, Liying Shang, Mengyuan Wang, Shenbo Yang, Zhenjie Tang and Lin Ju
Molecules 2024, 29(9), 1966; https://doi.org/10.3390/molecules29091966 - 25 Apr 2024
Abstract
Utilizing hydrogen as a viable substitute for fossil fuels requires the exploration of hydrogen storage materials with high capacity, high quality, and effective reversibility at room temperature. In this study, the stability and capacity for hydrogen storage in the Sc-modified C3N
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Utilizing hydrogen as a viable substitute for fossil fuels requires the exploration of hydrogen storage materials with high capacity, high quality, and effective reversibility at room temperature. In this study, the stability and capacity for hydrogen storage in the Sc-modified C3N4 nanotube are thoroughly examined through the application of density functional theory (DFT). Our finding indicates that a strong coupling between the Sc-3d orbitals and N-2p orbitals stabilizes the Sc-modified C3N4 nanotube at a high temperature (500 K), and the high migration barrier (5.10 eV) between adjacent Sc atoms prevents the creation of metal clusters. Particularly, it has been found that each Sc-modified C3N4 nanotube is capable of adsorbing up to nine H2 molecules, and the gravimetric hydrogen storage density is calculated to be 7.29 wt%. It reveals an average adsorption energy of −0.20 eV, with an estimated average desorption temperature of 258 K. This shows that a Sc-modified C3N4 nanotube can store hydrogen at low temperatures and harness it at room temperature, which will reduce energy consumption and protect the system from high desorption temperatures. Moreover, charge donation and reverse transfer from the Sc-3d orbital to the H-1s orbital suggest the presence of the Kubas effect between the Sc-modified C3N4 nanotube and H2 molecules. We draw the conclusion that a Sc-modified C3N4 nanotube exhibits exceptional potential as a stable and efficient hydrogen storage substrate.
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(This article belongs to the Section Physical Chemistry)
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The Effects of Antofine on the Morphological and Physiological Characteristics of Phytophthora capsici
by
Mei Wang, Weirong Zhang, Jiaojiao Lu, Yanbo Huo and Jing Wang
Molecules 2024, 29(9), 1965; https://doi.org/10.3390/molecules29091965 - 25 Apr 2024
Abstract
Phytophthora capsici is an important plant pathogenic oomycete that causes great losses to vegetable production around the world. Antofine is an important alkaloid isolated from Cynanchum komarovii Al. Iljinski and exhibits significant antifungal activity. In this study, the effect of antofine on the
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Phytophthora capsici is an important plant pathogenic oomycete that causes great losses to vegetable production around the world. Antofine is an important alkaloid isolated from Cynanchum komarovii Al. Iljinski and exhibits significant antifungal activity. In this study, the effect of antofine on the mycelial growth, morphology, and physiological characteristics of P. capsici was investigated using colorimetry. Meanwhile, the activity of mitochondrial respiratory chain complexes of P. capsici was evaluated following treatment with a 30% effective concentration (EC30), as well as EC50 and EC70, of antofine for 0, 12, 24, and 48 h. The results showed that antofine had a significant inhibitory effect against P. capsici, with an EC50 of 5.0795 μg/mL. After treatment with antofine at EC50 and EC70, the mycelia were rough, less full, and had obvious depression; they had an irregular protrusion structure; and they had serious wrinkles. In P. capsici, oxalic acid and exopolysaccharide contents decreased significantly, while cell membrane permeability and glycerol content increased when treated with antofine. Reactive oxygen species (ROS) entered a burst state in P. capsici after incubation with antofine for 3 h, and fluorescence intensity was 2.43 times higher than that of the control. The activities of the mitochondrial respiratory chain complex II, III, I + III, II + III, V, and citrate synthase in P. capsici were significantly inhibited following treatment with antofine (EC50 and EC70) for 48 h compared to the control. This study revealed that antofine is likely to affect the pathways related to the energy metabolism of P. capsici and thus affect the activity of respiratory chain complexes. These results increase our understanding of the action mechanism of antofine against P. capsici.
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(This article belongs to the Section Natural Products Chemistry)
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