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Predicting Stress, Anxiety, and Depression in Adult Men Based on Nutritional and Lifestyle Variables: A Comparative Analysis of Machine Learning Methods 基于营养和生活方式变量预测成年男性的压力、焦虑和抑郁:机器学习方法的比较分析
IF 3.2 2区 农林科学
Journal of Food Science Pub Date : 2025-06-16 DOI: 10.1111/1750-3841.70342
Tayeb Mohammadi, Sara Orouei, Karim Parastouei, Hadi Raeisi Shahraki, Akram Parandeh, Hossein Amini, Mehdi Raei
{"title":"Predicting Stress, Anxiety, and Depression in Adult Men Based on Nutritional and Lifestyle Variables: A Comparative Analysis of Machine Learning Methods","authors":"Tayeb Mohammadi,&nbsp;Sara Orouei,&nbsp;Karim Parastouei,&nbsp;Hadi Raeisi Shahraki,&nbsp;Akram Parandeh,&nbsp;Hossein Amini,&nbsp;Mehdi Raei","doi":"10.1111/1750-3841.70342","DOIUrl":"https://doi.org/10.1111/1750-3841.70342","url":null,"abstract":"<div>\u0000 \u0000 <section>\u0000 \u0000 \u0000 <p>Mental health disorders like depression, anxiety, and stress (DAS) are rising globally. Understanding how diet and lifestyle influence these conditions is vital for targeted interventions. This study explores the potential of machine learning (ML) to identify key risk factors and improve mental health predictions in adult males. This cross-sectional study gathered dietary data from 400 adult males using the Food Frequency Questionnaire (FFQ). The dataset contained 59 predictor variables, and DAS was classified as either normal or indicative of some degree of disorder. The predictive performance of five ML models [bagging, boosting, Naive Bayes (NB), support vector machine (SVM), and random forest (RF)] was assessed using cross-validation. Metrics such as sensitivity, specificity, precision (positive predictive value, PPV), negative predictive value (NPV), accuracy, and the area under the curve (AUC) were used to evaluate performance. DAS were present in 103 (25.47%) of participants. Bagging, boosting, and RF models outperformed others, achieving over 70% in all metrics. Key prognostic factors for predicting DAS include fried fast food, physical activity (PA), body mass index (BMI), magnesium, sodium, and other dietary elements like butter/margarine, fructose, and vitamin K. Chromium and caffeine were significant predictors of depression and anxiety, while cholesterol and olive oil were strongly associated with stress. The study shows that the RF, boosting, and bagging algorithms outperformed other models in predicting DAS across all evaluation criteria. Key dietary and lifestyle factors, such as magnesium, sodium, BMI, caffeine, and cholesterol, were identified as significant predictors, highlighting the potential of ML for advancing targeted mental health interventions.</p>\u0000 \u0000 <p><b>Practical Application</b>: This study highlights the effectiveness of machine learning algorithms in predicting mental health issues such as stress, anxiety, and depression by analyzing dietary patterns, lifestyle choices, and clinical parameters. The results provide valuable insights for healthcare professionals and policymakers in creating targeted dietary and lifestyle interventions to improve mental health outcomes. In addition, these findings have important implications for the food and nutrition industry, potentially guiding the development of specialized nutritional products aimed at enhancing mental well-being.</p>\u0000 </section>\u0000 </div>","PeriodicalId":193,"journal":{"name":"Journal of Food Science","volume":"90 6","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144292705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Role of MS4A7 in Regulating Microglial Polarization and Neuroinflammation in Spinal Cord Injury via the cGAS-STING-NLRP3 Axis MS4A7通过cGAS-STING-NLRP3轴调控脊髓损伤小胶质细胞极化和神经炎症的作用
IF 4.8 1区 医学
CNS Neuroscience & Therapeutics Pub Date : 2025-06-16 DOI: 10.1111/cns.70390
Xiangrui Li, Junpeng Liu, Youliang Deng, Fang Xing, Xihua Lu, Zhen Zhang, Changsheng Li
{"title":"Role of MS4A7 in Regulating Microglial Polarization and Neuroinflammation in Spinal Cord Injury via the cGAS-STING-NLRP3 Axis","authors":"Xiangrui Li,&nbsp;Junpeng Liu,&nbsp;Youliang Deng,&nbsp;Fang Xing,&nbsp;Xihua Lu,&nbsp;Zhen Zhang,&nbsp;Changsheng Li","doi":"10.1111/cns.70390","DOIUrl":"https://doi.org/10.1111/cns.70390","url":null,"abstract":"&lt;div&gt;\u0000 \u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Background and Objectives&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;Spinal cord injury (SCI) leads to debilitating neurological deficits primarily due to the inflammatory response triggered by secondary injury mechanisms. Microglial activation and polarization significantly influence this response, with pro-inflammatory (M1) polarization exacerbating damage and anti-inflammatory (M2) polarization promoting repair. MS4A7, a membrane-bound protein involved in immune regulation, has been implicated in inflammation, but its role in SCI remains unexplored. This study investigates the function of MS4A7 in modulating microglial polarization and its downstream effects on the inflammatory response in SCI, focusing on the cGAS-STING-NLRP3 axis.&lt;/p&gt;\u0000 &lt;/section&gt;\u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Methods&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;A combination of in vivo and in vitro approaches, including mouse SCI models and BV2 microglial cells, was employed. Differential gene expression analysis was conducted using the GSE93561 dataset. MS4A7 expression was modulated using shRNA and overexpression plasmids. Microglial polarization was assessed via immunofluorescence, RT-qPCR, and ELISA for M1 (iNOS, IL-1β, TNF-α) and M2 (Arg1, IL-10, CD206) markers. Pyroptosis and inflammasome activation were examined using PI staining, LDH release, and NLRP3/GSDMD assays. The role of the cGAS-STING pathway was evaluated using activators (diABZI) and inhibitors (C-176), and NLRP3 inflammasome activity was pharmacologically inhibited with MCC950.&lt;/p&gt;\u0000 &lt;/section&gt;\u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Results&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;MS4A7 was significantly upregulated in SCI tissues (&lt;i&gt;p&lt;/i&gt; &lt; 0.01). Knockdown of MS4A7 reduced M1 markers (iNOS, IL-1β, and TNF-α) and increased M2 markers (Arg1, IL-10, and CD206), promoting anti-inflammatory polarization (&lt;i&gt;p&lt;/i&gt; &lt; 0.05). Conversely, MS4A7 overexpression enhanced M1 polarization and pyroptosis through the NLRP3 inflammasome. In vivo, MS4A7 knockdown improved locomotor recovery (BMS score, &lt;i&gt;p&lt;/i&gt; &lt; 0.05) and alleviated pain-related behaviors (PWL and PWT, &lt;i&gt;p&lt;/i&gt; &lt; 0.01). The cGAS-STING pathway mediated NLRP3 activation, with pharmacological inhibition mitigating pro-inflammatory effects and favoring tissue repair.&lt;/p&gt;\u0000 &lt;/section&gt;\u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Conclusions&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;In this study, we found that MS4A7 exacerbates inflammation and promotes M1 polarization via the cGAS-STING-NLRP3 axis in SCI. Targeting MS4A7 and its associated pathways offers potential therapeutic strategies to mitigate neuroinflammation and enhance recovery. These findings provide new insights into the molecular mechanisms underlying SCI pathophysiology an","PeriodicalId":154,"journal":{"name":"CNS Neuroscience & Therapeutics","volume":"31 6","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1111/cns.70390","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144292255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhancing the Electrochemical Properties of Metal Deposits in Autocatalytic Copper Deposition Baths Containing Polyols 提高多元醇自催化镀铜液中金属镀层的电化学性能
IF 1.9 4区 化学
ChemistrySelect Pub Date : 2025-06-16 DOI: 10.1002/slct.202501307
Suseela Jayalakshmi, Raja Venkatesan, Palanivelu Balaramesh, Simon Deepa, Maher M. Alrashed, Seong-Cheol Kim
{"title":"Enhancing the Electrochemical Properties of Metal Deposits in Autocatalytic Copper Deposition Baths Containing Polyols","authors":"Suseela Jayalakshmi,&nbsp;Raja Venkatesan,&nbsp;Palanivelu Balaramesh,&nbsp;Simon Deepa,&nbsp;Maher M. Alrashed,&nbsp;Seong-Cheol Kim","doi":"10.1002/slct.202501307","DOIUrl":"https://doi.org/10.1002/slct.202501307","url":null,"abstract":"<p>This paper reveals the impact of pH and the number of hydroxide groups in an environmentally friendly copper deposition bath using polyhydroxylic chelators using dimethylamine borane (DMAB) as a reductant and potassium hydroxide as a pH adjuster at room temperature (28 ± 2 °C). Glycerol, erythritol, xylitol, and sorbitol are examples of monosaccharide polyols having tri, tetra, penta, and hexa hydroxylic groups in their structures were used as an environmentally benign complexing agent in the methane sulphonic acid (MSA) solvated deposition bath. The study demonstrated that, in addition to the hydroxide groups in the polyols, the pH of the electroless bath is a critical factor in copper deposition. The impact of temperature and pH on the rate of deposition of the bath was examined. Atomic absorption spectroscopy and X-ray diffraction studies was used to examine the surface and structural properties of the deposits and Tafel, electrochemical impedance, and cyclic voltammetry (CV) were used to examine the electrochemical properties of the polyol chelated deposition bath.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 23","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/slct.202501307","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144292259","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Inside Cover Picture 内页图片
IF 5.5 1区 化学
Chinese Journal of Chemistry Pub Date : 2025-06-16 DOI: 10.1002/cjoc.70162
{"title":"Inside Cover Picture","authors":"","doi":"10.1002/cjoc.70162","DOIUrl":"https://doi.org/10.1002/cjoc.70162","url":null,"abstract":"<p>With the idea of simple units integration to introduce new reactivities, a novel reaction between γ-hydroxyl enals and 1,3-dicarbonyl compounds has been discovered and developed, yielding polyfunctionalized 5-alkenyl-3-carbonylfurans. In this process, the γ-hydroxyl group is demonstrated to exert a critical neighboring group effect, facilitating the ring-opening isomerization of the initially generated 2<i>H</i>-pyran intermediate to the target furanones. More details are discussed in the article by Ma <i>et al</i>. on pages 1643—1650.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"43 14","pages":""},"PeriodicalIF":5.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjoc.70162","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144292261","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Questionnaire survey of patient families and dental school students regarding non-syndromic cleft lip and/or palate in the Federal Democratic Republic of Ethiopia 对埃塞俄比亚联邦民主共和国非综合征性唇裂和/或腭裂患者家属和牙科学校学生进行问卷调查
IF 1.3 4区 医学
Congenital Anomalies Pub Date : 2025-06-16 DOI: 10.1111/cga.70012
Anar-Erdene Gantugs, Hiroo Furukawa, Ichinnorov Chimedtseren, Le Kha Anh, Maya Yoshida, Kayo Hayami, Nagana Natsume, Fuko Yamauchi, Toshiro Kibe, Naoki Takahashi, Hideto Imura, Teruyuki Niimi, Nagato Natsume
{"title":"Questionnaire survey of patient families and dental school students regarding non-syndromic cleft lip and/or palate in the Federal Democratic Republic of Ethiopia","authors":"Anar-Erdene Gantugs,&nbsp;Hiroo Furukawa,&nbsp;Ichinnorov Chimedtseren,&nbsp;Le Kha Anh,&nbsp;Maya Yoshida,&nbsp;Kayo Hayami,&nbsp;Nagana Natsume,&nbsp;Fuko Yamauchi,&nbsp;Toshiro Kibe,&nbsp;Naoki Takahashi,&nbsp;Hideto Imura,&nbsp;Teruyuki Niimi,&nbsp;Nagato Natsume","doi":"10.1111/cga.70012","DOIUrl":"https://doi.org/10.1111/cga.70012","url":null,"abstract":"<p>Non-syndromic cleft lip and/or palate (NCL/P) is a congenital craniofacial anomaly with significant psychosocial and economic impacts. In Ethiopia, the prevalence of NCL/P and access to specialized care are not well documented. This study aimed to evaluate the knowledge and awareness of NCL/P among families of affected children and dental school students in Ethiopia and explore their perceptions and attitudes toward NCL/P. From 2009 to 2018, we conducted questionnaire surveys involving 86 patients with NCL/P and their families in the towns of Addis Ababa and Butajira, including 161 students from the School of Dentistry, Addis Ababa University. The surveys assessed the knowledge, perceptions, and attitudes toward NCL/P and their social implications. The majority of patients with NCL/P were born at home and in low-income families. Concerns about the future social life of patients were prominent, with stigma and discrimination reported by 32% of the patients' families. Among the dental school students, 66% had some knowledge of NCL/P, primarily from media sources. Students perceived higher levels of societal blame towards mothers of patients with NCL/P than reported by the patients' families. This study revealed significant gaps in the knowledge and awareness regarding NCL/P among dental school students. It also revealed the substantial social stigma that the patients affected by NCL/P and their families faced in Ethiopia. Enhancing public education and providing comprehensive multidisciplinary care is crucial for improving the quality of life of patients with NCL/P in Ethiopia.</p>","PeriodicalId":10626,"journal":{"name":"Congenital Anomalies","volume":"65 1","pages":""},"PeriodicalIF":1.3,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144292563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Extrusion Process to Improve the Availability of Fermentable Sugars in Sorghum Wort 挤压工艺提高高粱麦汁可发酵糖利用率的研究
IF 3.2 2区 农林科学
Journal of Food Science Pub Date : 2025-06-16 DOI: 10.1111/1750-3841.70352
Laura Cecilia Gómez Pamies, María del Rosario Acquisgrana, María Agostina Bianchi, María Mercedes Lataza Rovaletti, Elisa Inés Benítez
{"title":"Extrusion Process to Improve the Availability of Fermentable Sugars in Sorghum Wort","authors":"Laura Cecilia Gómez Pamies,&nbsp;María del Rosario Acquisgrana,&nbsp;María Agostina Bianchi,&nbsp;María Mercedes Lataza Rovaletti,&nbsp;Elisa Inés Benítez","doi":"10.1111/1750-3841.70352","DOIUrl":"https://doi.org/10.1111/1750-3841.70352","url":null,"abstract":"<div>\u0000 \u0000 <section>\u0000 \u0000 <h3> ABSTRACT</h3>\u0000 \u0000 <p>A common challenge in producing gluten-free beer from sorghum is the inefficient conversion of sorghum starch into fermentable sugars. This issue can be attributed to the high proportion of resistant starch and natural inhibitors that hinder starch digestibility in sorghum grains. To address this, an extrusion process was proposed to improve gelatinization and hydrolysis of sorghum starch. Two experimental designs were conducted, one with extrusion and one without, to assess the impact of utilizing two exogenous enzymes during mashing: papain and α-amylase. The results showed that the extrusion process significantly improved sorghum starch gelatinization and increased the concentration of fermentable sugars by an average of four times compared to trials without extrusion. By incorporating the extrusion process and utilizing 3% α-amylase and 0.1% papain, a high-quality wort with the desired concentration of fermentable sugars for yeast fermentation was obtained. This improvement was supported through the analysis of scanning electron microscopy (SEM) images and energy dispersive x-ray spectroscopy (EDS) by revealing changes in the structure and composition of gelatinized and hydrolyzed sorghum grains with and without extrusion.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Practical Application</h3>\u0000 \u0000 <p>Suitable for the development of a gluten-free beer-like fermented drink from an available, underutilized grain with a strong nutritional profile.</p>\u0000 </section>\u0000 </div>","PeriodicalId":193,"journal":{"name":"Journal of Food Science","volume":"90 6","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144292748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Optimising Multiplayer VR Game Experience Based on Intelligent Computing 基于智能计算的多人VR游戏体验优化
IF 1.5 4区 计算机科学
IET Communications Pub Date : 2025-06-16 DOI: 10.1049/cmu2.70056
Ling Yang, Daibo Xiao
{"title":"Optimising Multiplayer VR Game Experience Based on Intelligent Computing","authors":"Ling Yang,&nbsp;Daibo Xiao","doi":"10.1049/cmu2.70056","DOIUrl":"https://doi.org/10.1049/cmu2.70056","url":null,"abstract":"<p>Multiplayer virtual reality (VR) games represent the increasing future direction of VR game development. However, currently it still falls short in terms of the fluidity of social interaction, response speed, and sense of immersion, which affects players' engagement and satisfaction. This paper proposes an optimisation design for multiplayer VR game systems that integrates BP neural networks based on an intelligent computing framework. By applying the fast convergence of traditional BP algorithms and enhancing it with genetic algorithms to improve global search capabilities and avoid local optima, ensuring more accurate and efficient neural network training for enhanced VR gaming experiences. This paper compares the performance of traditional neural networks and evolutionary neural networks through extensive simulation and testifies to the engagement experience of players through quantitative analysis. The results show that evolutionary neural networks outperform traditional neural networks in system performance, such as severe latency and technical lagging. The paper also finds that technological preparedness significantly affects behaviour engagement through embodied social presence, emotional and cognitive engagement. Based on these findings, this paper suggests strategies to optimise the user experience of multiplayer VR games by improving game technology quality, enriching content, maintaining continuous communication with players, and establishing reasonable incentive mechanisms.</p>","PeriodicalId":55001,"journal":{"name":"IET Communications","volume":"19 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1049/cmu2.70056","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144292846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Rational Design of an Epoxide Hydrolase From Spatholobus Suberectus: Enhancing Catalytic Activity and Thermostability for Efficient (R)-Styrene Oxide Production 鸡血藤环氧化物水解酶的合理设计:提高催化活性和热稳定性,高效生产(R)-苯乙烯氧化物
IF 3.2 3区 生物学
Biotechnology Journal Pub Date : 2025-06-16 DOI: 10.1002/biot.70061
Xiafeng Lu, Yan Wu, Ning Li, Wen Zheng, Kai Liu, Feng Du, Zhibo Luo
{"title":"Rational Design of an Epoxide Hydrolase From Spatholobus Suberectus: Enhancing Catalytic Activity and Thermostability for Efficient (R)-Styrene Oxide Production","authors":"Xiafeng Lu,&nbsp;Yan Wu,&nbsp;Ning Li,&nbsp;Wen Zheng,&nbsp;Kai Liu,&nbsp;Feng Du,&nbsp;Zhibo Luo","doi":"10.1002/biot.70061","DOIUrl":"https://doi.org/10.1002/biot.70061","url":null,"abstract":"<div>\u0000 \u0000 <p>(<i>R</i>)-Styrene oxide is a high-value chiral intermediate in pharmaceutical and chemical industries, yet its enantioselective synthesis remains challenging. Here, we engineered an epoxide hydrolase from <i>Spatholobus suberectus</i> (<i>Ss</i>EH) to address its limitations in catalytic activity and thermostability. Through a computational strategy integrating homology modeling, molecular dynamics (MD) simulations, and machine learning, we rationally designed a mutagenesis library and identified the quintuple variant <i>Ss</i>EH-His41Arg-Thr71Val-Lys117Leu-Leu187Phe-Ser244Ala (<i>Ss</i>EH-M5). This variant exhibited a 17.0-fold increase in catalytic activity and a 2.1-fold improvement in thermostability (half-life at 35°C) compared to wild-type <i>Ss</i>EH. Structural analysis revealed that enhanced activity stemmed from optimized substrate binding and nucleophilic attack efficiency, while additional hydrogen bonds (Arg41-Tyr216-Asp212-His38) stabilized the enzyme's architecture. In a 3500 L bioreactor, <i>Ss</i>EH-M5 catalyzed the enantioconvergent hydrolysis of 60 g/L racemic styrene oxide using 2.5 g/L (DCW, dry cell weight) whole-cell biocatalyst, yielding (<i>R</i>)-styrene oxide with &gt;99.5% enantiomeric excess (<i>ee</i>) and (<i>R</i>)-1-phenyl-1,2-ethanediol (&gt;96.0% <i>ee</i>). This work highlights the synergy of computational design and experimental validation in developing robust biocatalysts for industrial-scale chiral synthesis.</p>\u0000 </div>","PeriodicalId":134,"journal":{"name":"Biotechnology Journal","volume":"20 6","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144292907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
New Mn(II) Mefenamates Appended by Substituted Bipyridine Linkers: Structural, Thermal, Magnetic, and Biological Investigations 取代联吡啶连接的新型Mn(II)甲醚酸酯:结构、热、磁和生物学研究
IF 1.9 4区 化学
ChemistrySelect Pub Date : 2025-06-16 DOI: 10.1002/slct.202502302
Beena Kanta Vernekar, Luann Romayne D'souza, Kedar Umakant Narvekar, Sanket Krishnanath Gaonkar, Pradip Kumar Bhowmik
{"title":"New Mn(II) Mefenamates Appended by Substituted Bipyridine Linkers: Structural, Thermal, Magnetic, and Biological Investigations","authors":"Beena Kanta Vernekar,&nbsp;Luann Romayne D'souza,&nbsp;Kedar Umakant Narvekar,&nbsp;Sanket Krishnanath Gaonkar,&nbsp;Pradip Kumar Bhowmik","doi":"10.1002/slct.202502302","DOIUrl":"https://doi.org/10.1002/slct.202502302","url":null,"abstract":"<p>Two new manganese complexes of <i>NSAID</i> mefenamic acid (Hmef) with heterocyclic diimines, 4,4′-diethoxy 2,2′-bipyridine (<b>DEB</b>) and 4,4′-dimethyl 2,2′-bipyridine (<b>DMB</b>) were synthesized. <b>DEB</b> crystallised in triclinic <i>P</i>ī space group, exhibiting a 2-D network. <b>MM1</b> crystallised in triclinic <i>P</i>1 space group, with mef<sup>2-</sup> adopting monodentate and bidentate chelate modes to Mn, owing to its flexibility and <b>DEB</b> with bidentate chelation. The interplay of O─H···O, N─H···O, and C─H···O interactions stabilised the overall lattice of <b>MM1</b>. <b>MM2</b> crystallized in triclinic <i>P</i>ī space group with mef<sup>2-</sup> and <b>DMB</b> adopting diverse coordination modes to Mn and the π–π stacking and hydrogen bonding interactions gave rise to a parallel alignment of Mn units when extended along <i>b</i> axis. The thermalprofiles of <b>MM1</b> and <b>MM2</b> corroborated with the crystal structure, evidencing the loss of solvent between RT- 127 °C, followed by ligand decomposition. XPS analysis of <b>MM1</b> and <b>MM2</b> validated the presence of Mn in + 2 oxidationstate, thereby confirming ligand composition. The magnetic susceptibility values for <b>MM1</b> and <b>MM2</b> increased with decreasing temperature, suggesting paramagnetic nature of Mn(II) in both the compounds. Interestingly, <b>MM1</b> and <b>MM2</b> exhibited 15.67 ± 0.21 % and 19.17 ± 0.10 % cell viability, respectively, of HepG2 cancerous cells at 100 µg/mL and possessed DNA cleavage activity, indicating their role in  biomedical applications.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 23","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144292912","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
AI-Based Virtual Network Function Embedding for Internet of Things Using Parallel Deep Reinforcement Learning 基于并行深度强化学习的物联网虚拟网络功能嵌入
IF 0.7 4区 工程技术
Electronics Letters Pub Date : 2025-06-15 DOI: 10.1049/ell2.70320
Mohammad Javad Rabipour, Ghasem Mirjalily
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