Repurposing of compound libraries yields new inhibitors of NDM-1 metallo-β-lactamase with diverse zinc-binding moieties by Vid Kavaš, Philip Hinchliffe, Maša Zorman, Alen Krajnc, Matic Proj, Majda Golob, Martina Hrast Rambaher, James Spencer, Stanislav Gobec

“…This resulted in a compound (14a) with an IC50 of 20 μM, which crystallography shows binds to NDM-1 in two different poses. Using this structure as a starting point for in silico design, we developed a series of larger thiol-based compounds designed to occupy more space in the active site and to utilize other novel zinc-binding groups. …”
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Presenting the model of social entrepreneurship in the development of rural tourism in the target villages of Gilan province by Fatemeh Doozandeh Ziabari, hamed fallah tafti, Mir Mohammad Asadi, Mahdi Basouli

“…The results of the qualitative questionnaire and open interview with the sample members, after taking notes and transferring to the system, were analyzed using coding and the data-based method and Maxqda software, and the output and the final model were reported. …”
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Element Nucleosynthetic Origins from Abundance Spatial Distributions beyond the Milky Way by Zefeng Li, Mark R. Krumholz, Anna F. McLeod, A. Mark Swinbank, Emily Wisnioski, J. Trevor Mendel, Francesco Belfiore, Giovanni Cresci, Giacomo Venturi, Jia-Lai Kang

“…These findings both open a new avenue to test nucleosynthetic models and make predictions for the structure of stellar chemical abundance distributions.…”
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Hadron Identification Prospects with Granular Calorimeters by Andrea De Vita, Abhishek, Max Aehle, Muhammad Awais, Alessandro Breccia, Riccardo Carroccio, Long Chen, Tommaso Dorigo, Nicolas R. Gauger, Ralf Keidel, Jan Kieseler, Enrico Lupi, Federico Nardi, Xuan Tung Nguyen, Fredrik Sandin, Kylian Schmidt, Pietro Vischia, Joseph Willmore

“…The XGBoost model demonstrated computational efficiency and interpretability advantages over deep learning for tabular data structures, while achieving similar classification performance. …”
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Genomic insights into Neolithic founding paternal lineages around the Qinghai-Xizang Plateau using integrated YanHuang resource by Mengge Wang, Yunhui Liu, Lintao Luo, Yuhang Feng, Zhiyong Wang, Ting Yang, Huijun Yuan, Chao Liu, Guanglin He

“…Our findings align paternal genetic structures with East Asian geography and linguistic groups, underscoring the utility of Y chromosome analyses in unraveling complex paternal histories.…”
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A 14-bp motif in the KIT active promoter region is critical for melanin accumulation in yaks, mice, and humans by Xinfeng Liu, Tongcheng Wang, Zeyu Zheng, Congcong Dong, Wenyu Liu, Zhimin Niu, Yingbo Yang, Xiaoyun Wu, Qiang Qiu, Yongzhi Yang, Kexin Li, Johannes A. Lenstra, Ping Yan, Minghui Kang, Bowen Li, Lingzhao Fang, Jianquan Liu

“…Results Using whole-genome sequencing data from 387 yaks, we analyzed the population genetic structure of all-white yaks and discovered that they clustered into two distinct genetic groups. …”
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Functional divergence of the two Elongator subcomplexes during neurodevelopment by Monika Gaik, Marija Kojic, Megan R Stegeman, Tülay Öncü‐Öner, Anna Kościelniak, Alun Jones, Ahmed Mohamed, Pak Yan Stefanie Chau, Sazia Sharmin, Andrzej Chramiec‐Głąbik, Paulina Indyka, Michał Rawski, Anna Biela, Dominika Dobosz, Amanda Millar, Vann Chau, Aycan Ünalp, Michael Piper, Mark C Bellingham, Evan E Eichler, Deborah A Nickerson, Handan Güleryüz, Nour El Hana Abbassi, Konrad Jazgar, Melissa J Davis, Saadet Mercimek‐Andrews, Sultan Cingöz, Brandon J Wainwright, Sebastian Glatt

“…Here, we identify ELP4 and ELP6 variants in patients with developmental delay, epilepsy, intellectual disability, and motor dysfunction. We determine the structures of human and murine Elp456 subcomplexes and locate the mutated residues. …”
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The Analysis and Prioritization of Social Sustainability of Rural Environments (Case Study: Ghal’eh Biaban District Darab Sub-Province) by Saeid Reza Akbarian Ronizi, Rana Shaykh-Baygloo

“…B) Demographic, including components such as population density, change of population structure, migration patterns among village and city and cultural issues. …”
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Growth Toxic Effects of Metal Nanoparticles on Bacillus subtilis and Vibrio parahaemolyticus by Shiyu CHEN, Bin XIA, Lin ZHU, Shuang LI, Qiufen LI, Xuemei SUN, Wei DAI

“…The instrument was set to collect data every 1 minute, and the experiment lasted for 12 h. …”
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How to Implement Digital Clinical Consultations in UK Maternity Care: the ARM@DA Realist Review by Catrin Evans, Georgia Clancy, Kerry Evans, Andrew Booth, Benash Nazmeen, Candice Sunney, Mark Clowes, Nia Wyn Jones, Stephen Timmons, Helen Spiby

“…From the findings, four principles emerged for developing and using digital maternity consultations: Create an appropriate environment, structure and support for staff. For women, consultations need to be responsive and personalised to different needs and preferences. …”
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The effect of Plant Growth Promoting Rhizohacteria on activities of antioxidative enzymes, physiological characteristics and root growth of four chickpea (Cicer arietinum L.) culti... by Rahim Naseri, Abbas Soleymani Fard, Amir Mirzaei, Fereshteh Darabi, Amin Fathi

“…Studied traits were included of chlorophyll a and b, RWC, MAD, SOD, POD, CAT, root volum, dray root weight and main root length. The data were analyzed statistically by SAS program and the data means were compared by Duncan's multiple range test (DMRT).   …”
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Prevalence of anxiety symptoms in a Ugandan population sample and psychometric properties of the Generalized Anxiety Disorder-7 scale (GAD-7) in Luganda and Runyoro by Leo Ziegel, Cristina Espinosa da Silva, Robert Bulamba, Alex Daama, Grace Kigozi, Amanda P. Miller, Godfrey Kigozi, Emmanuel Kyasanku, Stephen Mugamba, Anders Hammarberg, Anna Mia Ekström, Fred Nalugoda, Anna-Clara Hollander

“…The Runyoro-translated GAD-7 retained its one-factor structure (RMSEA = 0.097, CFI = 0.977, TLI = 0.966), had good internal consistency (omega total = 0.85), and correlated moderately with the PHQ-9 (r = 0.67, p < 0.01). …”
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Impact and elastic modulus of coal mining on terrestrial ecosystems by Jihong Dong, Wenting Dai, Jiren Xu, Hui Zhang, Yunpeng Li, Fei Xie

“…Abstract The energy consumption structure is gradually evolving into a "diversified energy structure" against the backdrop of the global implementation of energy-saving and low-carbon policies. …”
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Sealing and zero leakage characteristics of a high-pressure large-sized main drive based on active pressure compensation by Lifang ZHENG, Chao FANG, Fei MA, Tengfei CAI, Man YAO

“…Under a higher confining pressure, the new main drive seal structure exhibited better sealing ability, and under the pre-compensation mode, the sealing pressure reached 1.95 MPa at a compensation pressure of 7 MPa. …”
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The MESSy DWARF (based on MESSy v2.55.2) by A. Kerkweg, A. Kerkweg, T. Kirfel, T. Kirfel, D. H. Do, S. Griessbach, S. Griessbach, P. Jöckel, D. Taraborrelli, D. Taraborrelli

“…It is an integrated framework providing data structures and methods to build comprehensive ESMs from individual components. …”
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Characterization of phage HZY2308 against Acinetobacter baumannii and identification of phage-resistant bacteria by Ruilin Wang, Xiaojuan You, Xinwei Liu, Bing Fei, Yifan Li, Dan Wang, Rui Zhu, Yongwei Li

“…Besides, phage HZY2308 effectively inhibited AB biofilm formation and disrupted established biofilm structures. Furthermore, a synergistic antibacterial effect was noted when phage HZY2308 was combined with tigecycline. …”
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Analysis of the dependence of survival in patients with gastric cancer on the location and characteristics of the tumor by O. M. Levyk, K. V. Barannikov

“…In addition to location of the tumor in the stomach data on such characteristics of malignant tumors as the degree of differentiation and histological structure of the tumor have been analyzed. …”
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Molecular characterization and expression profiles of cytochrome P450 reductase gene in Sogatella furcifera (Hemiptera: Delphacidae) by YU Hang, LIU Su, ZHU Qingzi, ZHOU Wenwu, LIANG Qingmei, SHI Xiaoxiao, ZHU Zijie, ZHU Zengrong

“…The theoretical isoelectric point (pI) and calculated molecular mass of SfCPR protein are 5.48 and 76.762 ku, respectively. The secondary structure of SfCPR protein showed the marked features of typical CPRs, such as N-terminal transmembrane region, FMN-, FAD- and NADPH-binding domains and conserved catalytic residues. …”
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Exploring novel of 1,2,4-triazolo[4,3-a]quinoxaline sulfonamide regioisomers as anti-diabetic and anti-Alzheimer agents with in-silico molecular docking simulation by Moustafa S. Abusaif, Ahmed M. Sh El-Sharief, Yehia A. Mohamed, Yousry A. Ammar, Mostafa A. Ismail, Wael M. Aboulthana, Mohamed S. A. El-Gaby, Ahmed Ragab

“…Abstract In this study, a novel series of 1,2,4-triazolo[4,3-a]quinoxalines containing a sulfonamide moiety was designed and synthesized through regioselective synthesis from 2 and/ 3-hydrazino-6-(pyrrolidin-1-ylsulfonyl)quinoxaline derivatives 5 and 7. The structures of two isomers were confirmed and characterized by IR,1H NMR,13C NMR, and elemental analysis data. …”
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Real time counting method for coal mine drill pipes based on deep learning by Fukai ZHANG, Yiran SUN, Xufeng WU, Aijun LI, Peiyang LI, Dengke WANG, Guan YUAN, Shan ZHAO, Haiyan ZHANG

“…The Slim-Neck network structure is improved to balance the accuracy and complexity of the model, and the DDA Head module is designed to replace the detection head structure to enhance the attention of the model head to the multi-dimensional information of drilling rig targets; Finally, a pipe count inference method called Pipe Count is designed based on the principle of calculating the effective number of movements at the tail of the drilling rig using a two-level polygon judgment area. …”
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