Computational and In silico study of novel fungicides against combating root rot, gray mold, fusarium wilt, and cereal rust. by Mollah Naimuzzaman, Md Mahabub Hasan, Ajoy Kumer, Abu Yousuf Hossin, Mohammad Harun-Ur-Rashid, Swapan Kumar Roy, Abu Noman Faruq Ahmmed, Jamal Uddin

“…However, MD was performed to check the validation and calculation the docking procedure and stability of the protein ligand docked complex accounting of RMSD, RMSF, SASA, Radius of gyration (Rg), Protein secondary structure elements (SSE), Ramachandran plot which confirm that the stability of docked complex is so high, and number of calculating the hydrogen bonds is more than good enough, as a result it is concluded the docking procedure is valid. …”
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Microbial Community, Fatty Acid Composition, and Health Potential of Horse Oil Fermented with Barley Nuruk by Jeong-Ha Lee, Sung-Eun Bae, Ho-Min Kang, Yu-Jin Ha, Chang-Gu Hyun

“…Molecular docking demonstrated that the amide structures play a key role in α-glucosidase inhibition through essential hydrogen bonding interactions. Next-generation sequencing (NGS) analysis showed a notable reduction in pathogenic bacteria, such as <i>Salmonella enterica</i>, and a dominance of <i>Lactobacillus acidophilus</i> (95.2%) by day 10. …”
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System Pharmacological Approach to Investigate and Validate Multitargeted and Therapeutic Effect of Furocoumarins of Apium graveolens L. for Treatment of Kidney Disease by null Yasheshwar, null Gaurav, Rustam Ekkbal, Prem Gupta, Rajendra Gyawali

“…These components exhibited greater conventional hydrogen bonding with CASP-3 and SOD than other furocoumarins. …”
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Effect of Electric Fields on the Mechanical Mechanism of Regorafenib–VEGFR2 Interaction to Enhance Inhibition of Hepatocellular Carcinoma by Yichen Tian, Fenghui Liao, Heng Sun, Yongrong Lei, Yuna Fu, Feng Xia, Jianhua Wang

“…In single molecule pair interactions, there are changes in specific and nonspecific forces. Hydrogen bonds, hydrophobic interactions, and van der Waals forces are the main influencing factors. …”
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Antioxidant activity of Micractinium sp. (Chlorophyta) extracts against H2O2 induced oxidative stress in human breast adenocarcinoma cells by Onur Bulut, Işkın Engin Köse, Çağla Sönmez, Hüseyin Avni Öktem

“…Moreover, extracts from Micractinium sp. exhibited remarkable cytoprotective activity by effectively inhibiting hydrogen peroxide-induced oxidative stress and cell death in human breast adenocarcinoma (MCF-7) cells. …”
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Structural, Electronic, Elastic, Mechanical, and Opto-Electronic Properties for ZnAg2SnS4 and ZnAg2Sn0.93Fe0.07S4 Photocatalyst Effort on Wastewater Treatment through the First Pri... by Mohammad Jahidul Islam, Md. Sabbir Hasan Sohag, Unesco Chakma, Ajoy Kumer, Md. Monsur Alam, Mohammed Nazrul Islam Khan

“…The PDOS demonstrates that the production of hydrogen for photocatalytic influence on wastewater treatment is dependent on the Fe atom's ability to induce and boost the electron density in both the conduction band and the valence band. …”
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Water-mediated ion transport in an anion exchange membrane by Zhongyang Wang, Ge Sun, Nicholas H. C. Lewis, Mrinmay Mandal, Abhishek Sharma, Mincheol Kim, Joan M. Montes de Oca, Kai Wang, Aaron Taggart, Alex B. Martinson, Paul A. Kohl, Andrei Tokmakoff, Shrayesh N. Patel, Paul F. Nealey, Juan J. de Pablo

“…We find that the transition to the faster transport mechanism occurs when the reorientation of water molecules in the second solvation shell is fast, allowing a robust hydrogen bond network to form. Our findings provide molecular-level insights into AEMs with inherent transport of halide ions, and help pave the way towards a comprehensive understanding of hydroxide ion transport in AEMs.…”
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Placental ischemia during pregnancy induces hypertension, cerebral inflammation, and oxidative stress in dams postpartum by Savanna Smith, Jonna Smith, Kylie Jones, Angie Castillo, Natalia Wiemann, Ahfiya Howard, Mark Cunningham

“…At 6 weeks PP (~3 human years), BP was measured via carotid catheterization, and cerebral oxidative stress and inflammation were assessed via ELISAs, biochemical assays, and Western blots.Results BP, cerebral pro-inflammatory cytokines (TNF-α and IL-6), and GFAP (a marker of astrocyte activity) were increased in PP RUPP dams. Cerebral hydrogen peroxide (H2O2) was also increased in PP RUPP dams, and had a strong correlation with PP RUPP BP, proinflammatory cytokines (TNF- α and IL-6), and GFAP astrocyte activation.Conclusion PP RUPP dams have increased BP, cerebral oxidative stress, and cerebral inflammation at 6 weeks postpartum. …”
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Organophosphate esters inhibit enzymatic proteolysis through non-covalent interactions by Zeming Wang, Wei Zhang, Xiaojie Hu, Yanzheng Gao

“…Further spectroscopic experiments and molecular docking simulations showed that OPEs could entered the pocket structure of GB1 and induced secondary structural changes and protein folding through non-covalent interactions dominated by hydrogen bonding and van der Waals forces. In addition, organophosphate diesters (di-OPEs) and long-chain OPEs had stronger affinity to GB1, due to the more negative and denser electrostatic surface potential distributions. …”
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Online Monitoring Oxidative Products and Metabolites of Nicotine by Free Radicals Generation with Fenton Reaction in Tandem Mass Spectrometry by Shih-Shin Liang, Yow-Ling Shiue, Chao-Jen Kuo, Su-Er Guo, Wei-Ting Liao, Eing-Mei Tsai

“…Fenton reaction generates free radicals via ferrous ion (Fe2+) and hydrogen peroxide (H2O2) to oxidize DNA and to degrade proteins in cells. …”
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Expression of H2S in Gestational Diabetes Mellitus and Correlation Analysis with Inflammatory Markers IL-6 and TNF-α by Yucui Teng, Shuxia Xuan, Ming Jiang, Li Tian, Jinjing Tian, Qian Chang

“…The pathogenesis of GDM remains unclear, although much research has found that the levels of hydrogen sulfide (H2S) play an important role in complications of pregnancy. …”
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Reaction Kinetics of Sodium Bentonite with Different Acid Systems: An Experimental Study by Yang Li, Xiaoming Ni, Zheng Zhao, Cixiang Yang, Zhongcheng Li

“…Discovering the characteristics of the reaction kinetics of acid systems (hydrogen fluoride (HF), hydrochloric acid (HCl), and CH3COOH) at different concentrations with sodium bentonite can provide experimental support for optimising formulations used in removing plugs through acidification. …”
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Magmatic volatiles control the sub-plinian basaltic eruptions at Ambae volcano, Vanuatu by Philipson Bani, Alessandro Aiuppa, Diego Coppola, Simon Carn, Dominique Cluzel, Estelle Rose-Koga, Etienne Medard, François Nauret, Yves Moussallam, Dan Tari, Iuma Bani

“…Our results indicate that the volcano released 3.3 teragrams of sulfur dioxide, 7.7 of carbon dioxide, 134 of water vapour, 0.2 of hydrogen sulfide, and 0,001 of dihydrogen, ranking Ambae among the world’s top volcanic gas emitters. …”
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Molecular Modeling Studies of Substituted 2,4,5-Trisubstituted Triazolinones Aryl and Nonaryl Derivatives as Angiotensin II AT1 Receptor Antagonists by Mukesh C. Sharma, D. V. Kohli, Smita Sharma

“…Pharmacophore hypotheses were generated by the mol sign module and found to contain common features like hydrogen bond donor acceptor, donor, positive, negative ionizable, and hydrophobic features. …”
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Modeling the impact of extreme weather events and future climate on the radiologically contaminated sites of Enewetak Atoll by Lakshitha Premathilake, Saikat Ghosh, Rajiv Prasad, Sourav Taraphdar, Taiping Wang, Tarang Khangaonkar, Bruce Napier, Tracy Ikenberry, Lai-yung Leung

“…Abstract Enewetak Atoll underwent 43 historical nuclear tests from 1948 to 1958, including the first hydrogen bomb test, resulting in a substantial nuclear material fallout contaminating the Atoll and the lagoon waters. …”
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Study of Transition Region of p-Type SiOx:H as Window Layer in a-Si:H/a-Si1-yGey:H Multijunction Solar Cells by Pei-Ling Chen, Po-Wei Chen, Chuang-Chuang Tsai

“…We have studied the p-type hydrogenated silicon oxide (SiOx:H) films prepared in the amorphous-to-microcrystalline transition region as a window layer in a-Si:H/a-Si1-yGey:H multijunction solar cells. …”
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Mechanism analysis of the enhanced corrosion resistance of the Mg–2Y alloy after Mn addition by Jinhang Dong, Yuxiu Zhang, Jun Liang, Zonghui He, Xiangbin Li, Fei Long

“…In this work, the corrosion behaviors of Mg–2Y-xMn (x = 0, 0.5, 1 wt%) alloys in 3.5 wt% NaCl solution were investigated. The hydrogen volume and weight loss after immersion for the same time significantly decreased with increasing Mn content. …”
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Evaluation of Bioactive Compounds and Chemical Elements in Herbs: Effectiveness of Choline Chloride-Based Deep Eutectic Solvents in Ultrasound-Assisted Extraction by Aleksandra Szydłowska-Czerniak, Agnieszka Kowaluk, Michał Strzelec, Tomasz Sawicki, Małgorzata Tańska

“…In this study, the effectiveness of three choline chloride (ChCl)-based deep eutectic solvents (DESs) formed using malonic acid (MalA), glycerol (Gly), and glucose (Glu) as hydrogen bond donors and two conventional solvents (50% methanol and 50% ethanol) for ultrasonic-assisted extraction (UAE) of antioxidant compounds from four herbs (chamomile, lemon balm, nettle, and spearmint) were estimated. …”
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An Overview of the Intrinsic Role of Citrullination in Autoimmune Disorders by Mohammed Alghamdi, Doaa Alasmari, Amjad Assiri, Ehab Mattar, Abdullah A. Aljaddawi, Sana G. Alattas, Elrashdy M. Redwan

“…This modification leads to a charge shift, which affects the protein structure, protein-protein interactions, and hydrogen bond formation, and it may cause protein denaturation. …”
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Research on the Flotation Mechanism of Microemulsion Collector Enhanced Removal of Dyeing Impurities from Phosphogypsum by Xiaosheng Yu, Lijun Deng, Changpan Shen, Huiyong Li, Jingchao Li, Yijun Cao, Guoli Zhou, Guosheng Li

“…Additionally, the nano-oil droplets effectively adsorbed onto the surface of dyeing impurities through hydrogen bonding, enhancing their hydrophobicity. Therefore, the microemulsion collector holds great potential for application in flotation whitening processes involving phosphogypsum.…”
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