IF 4.2 2区化学

Molecules Pub Date : 2024-10-21 DOI: 10.3390/molecules29204975

Yeji Choi, Jun-Hee Lee, Duck Hyun Youn

引用次数: 0

Evaluation of Bioactive Compounds, Antioxidant Capacity, and Anti-Inflammatory Effects of Lipophilic and Hydrophilic Extracts of the Pericarp of Passiflora tripartita var. mollissima at Two Stages of Ripening. 两个成熟阶段西番莲果皮亲脂性和亲水性提取物的生物活性化合物、抗氧化能力和抗炎作用的评估

IF 4.2 2区化学

Molecules Pub Date : 2024-10-21 DOI: 10.3390/molecules29204964

Hugo Jesús Justil-Guerrero, Jorge Luis Arroyo-Acevedo, Juan Pedro Rojas-Armas, Carlos Orlando García-Bustamante, Miriam Palomino-Pacheco, Robert Dante Almonacid-Román, James Willan Calva Torres

{"title":"Evaluation of Bioactive Compounds, Antioxidant Capacity, and Anti-Inflammatory Effects of Lipophilic and Hydrophilic Extracts of the Pericarp of Passiflora tripartita var. mollissima at Two Stages of Ripening.","authors":"Hugo Jesús Justil-Guerrero, Jorge Luis Arroyo-Acevedo, Juan Pedro Rojas-Armas, Carlos Orlando García-Bustamante, Miriam Palomino-Pacheco, Robert Dante Almonacid-Román, James Willan Calva Torres","doi":"10.3390/molecules29204964","DOIUrl":"https://doi.org/10.3390/molecules29204964","url":null,"abstract":"Chronic disease inflammation requires safe complementary treatments. The pericarp of Passiflora tripartita var. mollissima (PTM) contains potential anti-inflammatory metabolites. This study aimed to evaluate the bioactive components, antioxidant capacity, and anti-inflammatory effects of PTM extracts at two ripening stages. The bioactive compounds in the hydrophilic and lipophilic extracts of mature and green pericarps were identified by GC-MS and UV-VIS, while the antioxidant capacity was measured by free radical reduction. Anti-inflammatory effects were tested using a rat paw edema model with carrageenan-induced edema, indomethacin, or PTM extracts (100, 250, and 500 mg/kg). The effect of mature hydrophilic extract was further evaluated in an air pouch model, where rats received the placebo, carrageenan, indomethacin, or the extract (500 and 1000 mg/kg). Leukocytes, cytokines, and markers of oxidative stress were evaluated. The results showed the presence of organic compounds, total phenols, and flavonoids. The mature hydrophilic extract exhibited the highest antioxidant activity. At 500 mg/kg, it reduced edema, leukocyte migration, and levels of IL-1β, IL-6, and TNF-α while managing oxidative stress and preventing histological damage. In conclusion, PTM contains bioactive compounds with potential pharmacological properties. The hydrophilic extract of the mature pericarp, at a dose of 500 mg/kg, exhibits an enhanced antioxidant and anti-inflammatory effect.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11510094/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142504662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Integrating Epoxidation, High-Resolution Mass Spectrometry and Ultraviolet Spectroscopy to Unravel the Complex Profile of Boswellic Acids and Related Compounds in the Boswellia serrata Gum Resin Extract. 整合环氧化、高分辨率质谱法和紫外光谱法，揭示乳香树脂提取物中乳香酸及相关化合物的复杂特征。

IF 4.2 2区化学

Molecules Pub Date : 2024-10-21 DOI: 10.3390/molecules29204967

Andrea Castellaneta, Ilario Losito, Stefania Cometa, Francesco Busto, Elvira De Giglio, Tommaso R I Cataldi

{"title":"Integrating Epoxidation, High-Resolution Mass Spectrometry and Ultraviolet Spectroscopy to Unravel the Complex Profile of Boswellic Acids and Related Compounds in the Boswellia serrata Gum Resin Extract.","authors":"Andrea Castellaneta, Ilario Losito, Stefania Cometa, Francesco Busto, Elvira De Giglio, Tommaso R I Cataldi","doi":"10.3390/molecules29204967","DOIUrl":"https://doi.org/10.3390/molecules29204967","url":null,"abstract":"The chemical characterization of natural products is often a complex task that demands powerful analytical techniques. Liquid chromatography with high-resolution tandem mass spectrometry (HRMS/MS) is often employed, yet it can face hard challenges when isomeric species are present, and reference standards are lacking. In such cases, the confidence level in compound identification can be significantly improved by the collection of orthogonal information on target analytes. In this work, 23 key compounds in Boswellia serrata extract (BSE), 12 of which correspond to boswellic acids (BAs) and 11 to triterpenoidic acid isomers, were identified by combining RPLC followed by serial UV and ESI(-)-FTMS and FTMS/MS detections with the evaluation of the reactivity towards C=C bond epoxidation with meta-chloroperoxybenzoic acid (m-CPBA), proposed as a fast chemical tool to gather information about C=C bond steric hindrance, a key structural feature of BAs and related compounds. The interpretation of UV spectra acquired after chromatographic separation corroborated the identification of the substitution patterns of enonic and dienic residues in ketoboswellic and dehydroboswellic acids. Moreover, MS/MS based on higher-energy collision-induced dissociation (HCD) unveiled new fragmentation pathways, providing important structural details on target analytes. The integrated approach developed during this study might pave the way for a deeper understanding of the BSE bioactive properties. Moreover, it can be considered an example of a more general strategy for the analysis of complex mixtures of natural compounds including also isomeric species.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11510512/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142504652","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nitrogen-Doped Graphene Uniformly Loaded with Large Interlayer Spacing MoS₂ Nanoflowers for Enhanced Lithium-Sulfur Battery Performance. 氮掺杂石墨烯均匀负载大层间距 MoS2 纳米流体以增强锂硫电池性能。

IF 4.2 2区化学

Molecules Pub Date : 2024-10-21 DOI: 10.3390/molecules29204968

Zhen Wu, Wenfeng He, Renjie Xie, Xuan Xiong, Zihan Wang, Lei Zhou, Fen Qiao, Junfeng Wang, Yan Zhou, Xinlei Wang, Jiajia Yuan, Tian Tang, Chenyao Hu, Wei Tong, Lubin Ni, Xin Wang, Yongsheng Fu

{"title":"Nitrogen-Doped Graphene Uniformly Loaded with Large Interlayer Spacing MoS2 Nanoflowers for Enhanced Lithium-Sulfur Battery Performance.","authors":"Zhen Wu, Wenfeng He, Renjie Xie, Xuan Xiong, Zihan Wang, Lei Zhou, Fen Qiao, Junfeng Wang, Yan Zhou, Xinlei Wang, Jiajia Yuan, Tian Tang, Chenyao Hu, Wei Tong, Lubin Ni, Xin Wang, Yongsheng Fu","doi":"10.3390/molecules29204968","DOIUrl":"https://doi.org/10.3390/molecules29204968","url":null,"abstract":"Lithium-sulfur (Li-S) batteries offer a high theoretical energy density but suffer from poor cycling stability and polysulfide shuttling, which limits their practical application. To address these challenges, we developed a PANI-modified MoS2-NG composite, where MoS2 nanoflowers were uniformly grown on graphene oxide (GO) through PANI modification, resulting in an increased interlayer spacing of MoS2. This expanded spacing exposed more active sites, enhancing polysulfide adsorption and catalytic conversion. The composite was used to prepare MoS2-NG/PP separators for Li-S batteries, which achieved a high specific capacity of 714 mAh g-1 at a 3 C rate and maintained a low capacity decay rate of 0.085% per cycle after 500 cycles at 0.5 C. The larger MoS2 interlayer spacing was key to improving redox reaction kinetics and suppressing the shuttle effect, making the MoS2-NG composite a promising material for enhancing the performance and stability of Li-S batteries.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11509959/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142504700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Advances in Virus Detection Techniques Based on Recombinant Polymerase Amplification. 基于重组聚合酶扩增的病毒检测技术的进展。

IF 4.2 2区化学

Molecules Pub Date : 2024-10-21 DOI: 10.3390/molecules29204972

Shiwen Wu, Wenhan Yu, Xianshu Fu, Xiaoping Yu, Zihong Ye, Mingzhou Zhang, Yulou Qiu, Biao Ma

引用次数: 0

Selective Sorption of Noble Metals on Polymer Gel Modified with Ionic Liquid. 离子液体修饰的聚合物凝胶对贵金属的选择性吸附。

IF 4.2 2区化学

Molecules Pub Date : 2024-10-21 DOI: 10.3390/molecules29204970

Ivanka Dakova, Olga Veleva, Irina Karadjova

{"title":"Selective Sorption of Noble Metals on Polymer Gel Modified with Ionic Liquid.","authors":"Ivanka Dakova, Olga Veleva, Irina Karadjova","doi":"10.3390/molecules29204970","DOIUrl":"https://doi.org/10.3390/molecules29204970","url":null,"abstract":"The solid phase extraction of Au, Ir, Pd, Pt, and Rh on a polymer gel modified with ionic liquid containing methylimidazolium groups (MIA-PG) has been investigated. The positively charged surface of the sorbent is highly suitable for the sorption of stable chlorido complexes of the studied analytes, while the retention of base metals Cu, Fe, Ni, Zn, and Mn is negligible. Optimization experiments performed showed that, at 0.05 M HCl, the degree of sorption of Au, Ir, Pd, and Pt is above 95%, and only for Rh, the maximum degree is 65%; complete elution is achieved in the mixture of thiourea in HCl. The results obtained from the equilibrium adsorption studies are fitted in various adsorption models, such as Langmuir and Freundlich, and the model parameters have been evaluated. The kinetics analysis indicated that the adsorption of Au, Ir, Pd, Pt, and Rh onto the sorbent follows the pseudo-second-order model. Intraparticle diffusion and ion exchange reactions were the rate-limiting steps. Analytical procedures were developed for Pd, Pt, and Rh determination in road dust and soil and for Au determination in copper ore and copper concentrate. The procedures are validated by the analysis of certified reference materials. Analytical figures of merit confirmed their applicability in routine laboratory practice.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11510461/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142504730","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effectiveness Evaluation of Silicone Oil Emulsion In Situ Polymerization for Dehydration of Waterlogged Wooden Artifacts. 硅油乳液原位聚合法用于渍水木质文物脱水的效果评估。

IF 4.2 2区化学

Molecules Pub Date : 2024-10-21 DOI: 10.3390/molecules29204971

Mengruo Wu, Xiangna Han, Zhiguo Zhang, Jiajun Wang

{"title":"Effectiveness Evaluation of Silicone Oil Emulsion In Situ Polymerization for Dehydration of Waterlogged Wooden Artifacts.","authors":"Mengruo Wu, Xiangna Han, Zhiguo Zhang, Jiajun Wang","doi":"10.3390/molecules29204971","DOIUrl":"https://doi.org/10.3390/molecules29204971","url":null,"abstract":"Organosilicon materials have shown potential as dehydration agents for waterlogged wooden artifacts. These materials can polymerize under normal conditions to form polymers with favorable mechanical strength, antibacterial properties, and aging resistance. However, the insolubility of most organosilicon hindered their penetration into waterlogged wood, which may lead to an unwanted cracking. This study aimed to evaluate the effectiveness of polydimethylsiloxane (PDMS) and hydroxy-terminated polydimethylsiloxane (PDMS-OH) with low viscosity and moderate reactivity for dehydrating waterlogged wooden artifacts from the Nanhai No.1 shipwreck. Four surfactants ((3-aminopropyl) triethoxysilane (APTES), alkyl polyoxyethylene ether (APEO), tri-methylstearylammonium chloride (STAC), and fatty alcohol polyoxyethylene ether (AEO)) and cosurfactant were employed to transform the two kinds of water-repellent silicone oils into eight groups of highly permeable oil-in-water (O/W) emulsions. Under the catalysis of a neutral catalyst, in situ polymerization occurred within the wood cells. Group P2-2 formulated with PDMS-OH and APEO showed the best efficiency in maintaining the dimensions of the wood during dehydration. The dehydrated wood exhibited a natural color and texture with a minimal volume shrinkage rate of 1.89%. The resulting polymer adhered uniformly to the cell walls, effectively reinforcing the wood cell structure. The weight percent gain of the wood was only 218%, and the pores of the cell lumen were well maintained for future retreatment. This method effectively controlled the sol-gel reaction process of the organosilicon and prevented damage to the wooden artifact during the dehydration process. Moreover, the dehydrated wood samples only experienced a low weight gain of 17% at 95% relative humidity (RH), indicating their great environmental stability.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11509974/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142504637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Insights into Catechin-Copper Complex Structure and Biologic Activity Modulation. 对儿茶素-铜复合物结构和生物活性调节的见解。

IF 4.2 2区化学

Molecules Pub Date : 2024-10-21 DOI: 10.3390/molecules29204969

Ionut I Lungu, Oana Cioanca, Cornelia Mircea, Cristina Tuchilus, Alina Stefanache, Riana Huzum, Monica Hancianu

{"title":"Insights into Catechin-Copper Complex Structure and Biologic Activity Modulation.","authors":"Ionut I Lungu, Oana Cioanca, Cornelia Mircea, Cristina Tuchilus, Alina Stefanache, Riana Huzum, Monica Hancianu","doi":"10.3390/molecules29204969","DOIUrl":"https://doi.org/10.3390/molecules29204969","url":null,"abstract":"Compounds of natural origin found in varying quantities in plant-based products constitute a highly significant category, possessing structural significance as well as the capacity to regulate oxidative processes. The activity of these compounds may be modulated by the composition of the biological environment in which they operate, the pH of the environment, or the presence of metal cations in plants or plant extracts. A successful complexation reaction was mainly confirmed by FT-IR, observing the shift from the original transmittance of catechin bonds, especially O-H ones. This work shows the synthetic methodology and the optimization process that took place to synthesize a catechin-copper complex, which demonstrated antioxidant activity. It was tested for iron chelation ability, hydroxyl radicals, and the inhibition of lipoxygenase (15-LOX). An antidiabetic assay was performed by determining the inhibition of alpha-amylase and alpha-glucosidase, finding that the synthesized complex had similar inhibitory potential as pure catechin. The antibacterial tests showed results against Staphylococcus aureus and the antifungal properties of the complex against Candida albicans.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11510184/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142504651","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Influence of Lactation Stage on Content of Neurotrophic Factors, Leptin, and Insulin in Human Milk. 哺乳期对母乳中神经营养因子、瘦素和胰岛素含量的影响

IF 4.2 2区化学

Molecules Pub Date : 2024-10-21 DOI: 10.3390/molecules29204973

Elena Sinkiewicz-Darol, Katarzyna Łubiech, Iwona Adamczyk

引用次数: 0

Protein A-like Peptide Design Based on Diffusion and ESM2 Models. 基于扩散和 ESM2 模型的类 A 蛋白肽设计

IF 4.2 2区化学

Molecules Pub Date : 2024-10-21 DOI: 10.3390/molecules29204965

Long Zhao, Qiang He, Huijia Song, Tianqian Zhou, An Luo, Zhenguo Wen, Teng Wang, Xiaozhu Lin

{"title":"Protein A-like Peptide Design Based on Diffusion and ESM2 Models.","authors":"Long Zhao, Qiang He, Huijia Song, Tianqian Zhou, An Luo, Zhenguo Wen, Teng Wang, Xiaozhu Lin","doi":"10.3390/molecules29204965","DOIUrl":"https://doi.org/10.3390/molecules29204965","url":null,"abstract":"Proteins are the foundation of life, and designing functional proteins remains a key challenge in biotechnology. Before the development of AlphaFold2, the focus of design was primarily on structure-centric approaches such as using the well-known open-source software Rosetta3. Following the development of AlphaFold2, deep-learning techniques for protein design gained prominence. This study proposes a new method to generate functional proteins using the diffusion model and ESM2 protein language model. Diffusion models, which are widely used in image and natural language generation, are used here for protein design, facilitating the controlled generation of new sequences. The ESM2 model, trained on the basis of large-scale protein sequence data, provides a deep understanding of the context of the sequence, thus improving the model's ability to generate biologically relevant proteins. In this study, we used the Protein A-like peptide as a model study object, combined the diffusion model and the ESM2 model to generate new peptide sequences from minimal input data, and verified their biological activities through experiments such as the BLI affinity test. In conclusion, we developed a new method for protein design that provides a novel strategy to meet the challenges of generic protein generation.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11510650/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142504718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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