IF 4.6 2区化学

Molecules Pub Date : 2024-09-13 DOI: 10.3390/molecules29184347

So-Hyun Kim, Sanjeev Kumar Dhungana, Il-Doo Kim, Arjun Adhikari, Jeong-Ho Kim

{"title":"Effect of Illite Treatment on Quality Characteristics and Antioxidant Activity of Broccoli (Brassica oleracea L. var. italica) Sprouts","authors":"So-Hyun Kim, Sanjeev Kumar Dhungana, Il-Doo Kim, Arjun Adhikari, Jeong-Ho Kim","doi":"10.3390/molecules29184347","DOIUrl":"https://doi.org/10.3390/molecules29184347","url":null,"abstract":"Microgreens have recently gained popularity owing to their reliable economic and nutritional value. This study aimed to increase the quality of microgreen broccoli via treatment with different concentrations (1%, IPB-1; 3%, IPB-3; 5%, IPB-5; or 7%, IPB-7 w/v) of illite—a natural mineral powder. The results showed that the illite treatments considerably increased the content of mineral elements, such as Ca, P, and K; of vitamin C; and of free amino acids; and also increased the total weight of the broccoli sprouts. The content of sulforaphane, a bioactive compound, also increased by up to 47% with illite treatment, with the highest increase being in the IPB-5 group. However, several of the parameters were lower in the IPB-7 group. Aromatic compounds were categorized by functional groups such as hydrocarbons which numbered 36, 30, 34, 28, and 30 in the control, IPB-1, IPB-3, IPB-5, and IPB-7 groups, respectively. We found 16, 15, 15, 13, and 14 sulfides, including dimethyl sulfide, in the control, IPB-1, IPB-3, IPB-5, and IPB-7 groups, respectively. Additionally, aldehydes, comprising seven compounds, were detected in the IPB-1, IPB-3, IPB-5, and IPB-7 groups. Illite treatment significantly increased the activities of antioxidants such as DPPH and the polyphenol content of the microgreens. These results indicate a potential role for appropriate illite doses in microgreen treatment to address multinutrient deficiencies and to increase the quality of microgreen vegetables.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215690","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Medical Applications and Cellular Mechanisms of Action of Carboxymethyl Chitosan Hydrogels 羧甲基壳聚糖水凝胶的医疗应用和细胞作用机制

IF 4.6 2区化学

Molecules Pub Date : 2024-09-13 DOI: 10.3390/molecules29184360

Weronika Kruczkowska, Karol Kamil Kłosiński, Katarzyna Helena Grabowska, Julia Gałęziewska, Piotr Gromek, Mateusz Kciuk, Żaneta Kałuzińska-Kołat, Damian Kołat, Radosław A. Wach

{"title":"Medical Applications and Cellular Mechanisms of Action of Carboxymethyl Chitosan Hydrogels","authors":"Weronika Kruczkowska, Karol Kamil Kłosiński, Katarzyna Helena Grabowska, Julia Gałęziewska, Piotr Gromek, Mateusz Kciuk, Żaneta Kałuzińska-Kołat, Damian Kołat, Radosław A. Wach","doi":"10.3390/molecules29184360","DOIUrl":"https://doi.org/10.3390/molecules29184360","url":null,"abstract":"Carboxymethyl chitosan (CMCS) hydrogels have been investigated in biomedical research because of their versatile properties that make them suitable for various medical applications. Key properties that are especially valuable for biomedical use include biocompatibility, tailored solid-like mechanical characteristics, biodegradability, antibacterial activity, moisture retention, and pH stimuli-sensitive swelling. These features offer advantages such as enhanced healing, promotion of granulation tissue formation, and facilitation of neutrophil migration. As a result, CMCS hydrogels are favorable materials for applications in biopharmaceuticals, drug delivery systems, wound healing, tissue engineering, and more. Understanding the interactions between CMCS hydrogels and biological systems, with a focus on their influence on cellular behavior, is crucial for leveraging their versatility. Because of the constantly growing interest in chitosan and its derivative hydrogels in biomedical research and applications, the present review aims to provide updated insights into the potential medical applications of CMCS based on recent findings. Additionally, we comprehensively elucidated the cellular mechanisms underlying the actions of these hydrogels in medical settings. In summary, this paper recapitulates valuable data gathered from the current literature, offering perspectives for further development and utilization of carboxymethyl hydrogels in various medical contexts.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215695","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The Discovery of Substituted 5-(2-Hydroxybenzoyl)-2-Pyridone Analogues as Inhibitors of the Human Caf1/CNOT7 Ribonuclease 发现作为人类 Caf1/CNOT7 核糖核酸酶抑制剂的取代型 5-(2-羟基苯甲酰基)-2-吡啶酮类似物

IF 4.6 2区化学

Molecules Pub Date : 2024-09-13 DOI: 10.3390/molecules29184351

Ishwinder Kaur, Gopal P. Jadhav, Peter M. Fischer, Gerlof Sebastiaan Winkler

{"title":"The Discovery of Substituted 5-(2-Hydroxybenzoyl)-2-Pyridone Analogues as Inhibitors of the Human Caf1/CNOT7 Ribonuclease","authors":"Ishwinder Kaur, Gopal P. Jadhav, Peter M. Fischer, Gerlof Sebastiaan Winkler","doi":"10.3390/molecules29184351","DOIUrl":"https://doi.org/10.3390/molecules29184351","url":null,"abstract":"The Caf1/CNOT7 nuclease is a catalytic component of the Ccr4-Not deadenylase complex, which is a key regulator of post-transcriptional gene regulation. In addition to providing catalytic activity, Caf1/CNOT7 and its paralogue Caf1/CNOT8 also contribute a structural function by mediating interactions between the large, non-catalytic subunit CNOT1, which forms the backbone of the Ccr4-Not complex and the second nuclease subunit Ccr4 (CNOT6/CNOT6L). To facilitate investigations into the role of Caf1/CNOT7 in gene regulation, we aimed to discover and develop non-nucleoside inhibitors of the enzyme. Here, we disclose that the tri-substituted 2-pyridone compound 5-(5-bromo-2-hydroxy-benzoyl)-1-(4-chloro-2-methoxy-5-methyl-phenyl)-2-oxo-pyridine-3-carbonitrile is an inhibitor of the Caf1/CNOT7 nuclease. Using a fluorescence-based nuclease assay, the activity of 16 structural analogues was determined, which predominantly explored substituents on the 1-phenyl group. While no compound with higher potency was identified among this set of structural analogues, the lowest potency was observed with the analogue lacking substituents on the 1-phenyl group. This indicates that substituents on the 1-phenyl group contribute significantly to binding. To identify possible binding modes of the inhibitors, molecular docking was carried out. This analysis suggested that the binding modes of the five most potent inhibitors may display similar conformations upon binding active site residues. Possible interactions include π-π interactions with His225, hydrogen bonding with the backbone of Phe43 and Van der Waals interactions with His225, Leu209, Leu112 and Leu115.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ferroptosis in Ischemic Stroke and Related Traditional Chinese Medicines 缺血性中风的铁蛋白沉积与相关中药

IF 4.6 2区化学

Molecules Pub Date : 2024-09-13 DOI: 10.3390/molecules29184359

Runchen Ma, Xiaohui Sun, Zhaofeng Liu, Jianzhao Zhang, Gangqiang Yang, Jingwei Tian, Yunjie Wang

引用次数: 0

Anti-Inflammatory Effects of the Combined Treatment of Resveratrol- and Protopanaxadiol-Enriched Rice Seed Extract on Lipopolysaccharide-Stimulated RAW264.7 Cells 富含白藜芦醇和原人参皂苷的稻种提取物联合处理对脂多糖刺激的 RAW264.7 细胞的抗炎作用

IF 4.6 2区化学

Molecules Pub Date : 2024-09-13 DOI: 10.3390/molecules29184343

Chaiwat Monmai, So-Hyeon Baek

{"title":"Anti-Inflammatory Effects of the Combined Treatment of Resveratrol- and Protopanaxadiol-Enriched Rice Seed Extract on Lipopolysaccharide-Stimulated RAW264.7 Cells","authors":"Chaiwat Monmai, So-Hyeon Baek","doi":"10.3390/molecules29184343","DOIUrl":"https://doi.org/10.3390/molecules29184343","url":null,"abstract":"The overproduction of proinflammatory cytokines triggers a variety of diseases. Protopanaxadiol (PPD) and resveratrol are naturally found in plants such as ginseng and have potential anti-inflammatory properties, and resveratrol- and PPD-enriched rice seeds have been previously successfully generated. Herein, the synergistic anti-inflammatory activities of extracts of these enriched seeds were assessed in lipopolysaccharide (LPS)-stimulated RAW264.7 cells. In comparison with treatment using extract prepared from PPD-producing transgenic rice (DJ-PPD) alone, cotreatment with DJ526 and DJ-PPD (TR_3) markedly enhanced the anti-inflammatory activities at a similar (compared to DJ526) or higher (compared to DJ-PPD) level. Cotreatment with DJ526 and DJ-PPD markedly inhibited the activation of nuclear factor kappa B (NF-κB) and mitogen-activated protein kinase (MAPK) signaling pathways. Thus, DJ526 and DJ-PPD in combination suppressed the expression of phosphorylated (p)-NF-κB p65, p-p38 MAPK, and p-ERK 1/2. Cotreatment with DJ526 and DJ-PPD downregulated the expression of proinflammatory cytokines (IL-1β, IL-6, and TNF-α), LPS receptor (toll-like receptor-4, TLR-4), proinflammatory mediators (nitric oxide and PGE2), and arachidonic acid pathway critical enzyme (COX-2). These findings demonstrate the synergistic potential anti-inflammatory activities of resveratrol- and PPD-enriched rice seed extract.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Calculation of Some Low-Lying Electronic Excitations of Barium Monofluoride Using the Equation of Motion (EOM)-CC3 Method with an Effective Core Potential Approach 利用有效核心势能法的运动方程 (EOM)-CC3 方法计算一氟化钡的某些低层电子激发

IF 4.6 2区化学

Molecules Pub Date : 2024-09-13 DOI: 10.3390/molecules29184356

Marko Horbatsch

{"title":"Calculation of Some Low-Lying Electronic Excitations of Barium Monofluoride Using the Equation of Motion (EOM)-CC3 Method with an Effective Core Potential Approach","authors":"Marko Horbatsch","doi":"10.3390/molecules29184356","DOIUrl":"https://doi.org/10.3390/molecules29184356","url":null,"abstract":"Barium monofluoride (BaF) is a polar molecule of interest in measurements of the electron electric dipole moment. For this purpose, efforts are underway to investigate this molecule embedded within cryogenic matrices, e.g., in solid Ne. For a theoretical understanding of the electronic structure of such an embedded molecule, the need arises for efficient methods which are accurate but also able to handle a number of atoms which surround the molecule. The calculation for gas-phase BaF can be reduced to involve only outer electrons by representing the inner core of Ba with a pseudopotential, while carrying out a non-relativistic calculation with an appropriate basis set. Thus, the method is effectively at a scalar-relativistic level. In this work, we demonstrate to which extent this can be achieved using coupled-cluster methods to deal with electron correlation. As a test case, the SrF(X2Σ+→B2Σ+) transition is investigated, and excellent accuracy is obtained with the EOM-CC3 method. For the BaF(X2Σ+→A′2Δ, X2Σ+→A2Π, X2Σ+→B2Σ+) transitions, various coupled-cluster approaches are compared with very good agreement for EOM-CC3 with experimentally derived spectroscopic parameters, at the level of tens of cm−1. An exception is the excitation to the A′2Δ state, for which the energy is overestimated by 230cm−1. The poor convergence behavior for this particular state is demonstrated by providing results from calculations with basis sets of n = 3, 4, 5)-zeta quality. The calculated excitation energy for the B2Σ+ state agrees better with a deperturbation analysis than with the effective spectroscopic value, with a difference of 120cm−1.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215490","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electronic Nose Analysis of Exhaled Breath Volatile Organic Compound Profiles during Normoxia, Hypoxia, and Hyperoxia 电子鼻分析正常缺氧、缺氧和高氧时呼出气体中挥发性有机化合物的概况

IF 4.6 2区化学

Molecules Pub Date : 2024-09-13 DOI: 10.3390/molecules29184358

Pasquale Tondo, Giulia Scioscia, Marcin Di Marco, Vitaliano Nicola Quaranta, Terence Campanino, Giuseppe Palmieri, Andrea Portacci, Andrea Santamato, Donato Lacedonia, Giovanna Elisiana Carpagnano, Silvano Dragonieri

引用次数: 0

The Influence of Heat Treatment on the Photoactivity of Amine-Modified Titanium Dioxide in the Reduction of Carbon Dioxide 热处理对胺改性二氧化钛在还原二氧化碳过程中的光活性的影响

IF 4.6 2区化学

Molecules Pub Date : 2024-09-13 DOI: 10.3390/molecules29184348

Iwona Pełech, Piotr Staciwa, Daniel Sibera, Konrad Sebastian Sobczuk, Wiktoria Majewska, Ewelina Kusiak-Nejman, Antoni W. Morawski, Kaiying Wang, Urszula Narkiewicz

{"title":"The Influence of Heat Treatment on the Photoactivity of Amine-Modified Titanium Dioxide in the Reduction of Carbon Dioxide","authors":"Iwona Pełech, Piotr Staciwa, Daniel Sibera, Konrad Sebastian Sobczuk, Wiktoria Majewska, Ewelina Kusiak-Nejman, Antoni W. Morawski, Kaiying Wang, Urszula Narkiewicz","doi":"10.3390/molecules29184348","DOIUrl":"https://doi.org/10.3390/molecules29184348","url":null,"abstract":"Modification of titanium dioxide using ethylenediamine (EDA), diethylamine (DEA), and triethylamine (TEA) has been studied. As the reference material, titanium dioxide prepared by the sol–gel method using titanium(IV) isopropoxide as a precursor was applied. The preparation procedure involved heat treatment in the microwave reactor or in the high-temperature furnace. The obtained samples have been characterized in detail. The phase composition was determined through the X-ray diffraction method, and the average crystallite size was calculated based on it. Values for specific surface areas and the total pore volumes were calculated based on the isotherms obtained through the low-temperature nitrogen adsorption method. The bang gap energy was estimated based on Tauc’s plots. The influence of the type and content of amine, as well as heat treatment on the photocatalytic activity of modified titanium dioxide in the photocatalytic reduction of carbon dioxide, was determined and discussed. It was clear that, regardless of the amount and content of amine introduced, the higher photoactivity characterized the samples prepared in the microwave reactor. The highest amounts of hydrogen, carbon monoxide, and methane have been achieved using triethylamine-modified titanium dioxide.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142226822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Development of Organocatalytic Darzens Reactions Exploiting the Cyclopropenimine Superbase 利用环丙烯亚胺超级碱开发有机催化的达尔曾斯反应

IF 4.6 2区化学

Molecules Pub Date : 2024-09-13 DOI: 10.3390/molecules29184350

Carmine Lops, Lucia Pasquato, Paolo Pengo

引用次数: 0

p38α Mitogen-Activated Protein Kinase—An Emerging Drug Target for the Treatment of Alzheimer’s Disease p38α 三磷酸腺苷激活蛋白激酶--治疗阿尔茨海默病的新药物靶点

IF 4.6 2区化学

Molecules Pub Date : 2024-09-13 DOI: 10.3390/molecules29184354

Jan Detka, Natalia Płachtij, Martyna Strzelec, Aleksandra Manik, Kinga Sałat

{"title":"p38α Mitogen-Activated Protein Kinase—An Emerging Drug Target for the Treatment of Alzheimer’s Disease","authors":"Jan Detka, Natalia Płachtij, Martyna Strzelec, Aleksandra Manik, Kinga Sałat","doi":"10.3390/molecules29184354","DOIUrl":"https://doi.org/10.3390/molecules29184354","url":null,"abstract":"Alzheimer’s disease (AD) is a neurodegenerative disorder, characterized by the formation of amyloid β and tau protein aggregates in the brain, neuroinflammation, impaired cholinergic neurotransmission, and oxidative stress, resulting in the gradual loss of neurons and neuronal function, which leads to cognitive and memory deficits in AD patients. Chronic neuroinflammation plays a particularly important role in the progression of AD since the excessive release of proinflammatory cytokines from glial cells (microglia and astrocytes) induces neuronal damage, which subsequently causes microglial activation, thus facilitating further neurodegenerative changes. Mitogen-activated protein kinase (MAPK) p38α is one of the key enzymes involved in the control of innate immune response. The increased activation of the p38α MAPK pathway, observed in AD, has been for a long time associated not only with the maintenance of excessive inflammatory process but is also linked with pathophysiological hallmarks of this disease, and therefore is currently considered an attractive drug target for novel AD therapeutics. This review aims to summarize the current state of knowledge about the involvement of p38α MAPK in different aspects of AD pathophysiology and also provides insight into the possible therapeutic effects of novel p38α MAPK inhibitors, which are currently studied as potential drug candidates for AD treatment.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142226823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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