Invited for this month's cover is the group of Miriam Unterlass at the Technische Universität Wien and the CeMM Research Center for Molecular Medicine of the Austrian Academy of Sciences. The image illustrates the synthesis of quinoxalines in "hot water" and the large-scale computational comparison of all existing syntheses of these quinoxalines. The Full Paper itself is available at 10.1002/cssc.202100433.
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http://dx.doi.org/10.1002/cssc.202100607 | DOI Listing |
BMC Genomics
January 2025
Key Laboratory of Qinghai-Tibetan Plateau Animal Genetic Resource Reservation and Utilization, Sichuan Province and Ministry of Education, Southwest Minzu University, Chengdu, 610225, China.
Background: Microsatellites are highly polymorphic repeat sequences ubiquitously interspersed throughout almost all genomes which are widely used as powerful molecular markers in diverse fields. Microsatellite expansions play pivotal roles in gene expression regulation and are implicated in various neurological diseases and cancers. Although much effort has been devoted to developing efficient tools for microsatellite identification, there is still a lack of a powerful tool for large-scale microsatellite analysis.
View Article and Find Full Text PDFBMC Public Health
January 2025
Statistics, Brigham Young University, Provo, 84602, Utah, USA.
Background: Bullying, encompassing physical, psychological, social, or educational harm, affects approximately 1 in 20 United States teens aged 12-18. The prevalence and impact of bullying, including online bullying, necessitate a deeper understanding of risk and protective factors to enhance prevention efforts. This study investigated the key risk and protective factors most highly associated with adolescent bullying victimization.
View Article and Find Full Text PDFSci Rep
January 2025
School of Mechanics and Engineering, Liaoning Technical University, Fuxin, 123000, China.
Uniaxial compression experiments were conducted on coal rock utilizing a computed tomography (CT) scanning system for real-time monitoring to explain the issue of gas volume significantly exceeding reservoir capacity during coal and gas outbursts. A percolation factor a which can make a significant contribution to the research on premonitory information of gas outbursts is introduced to determine whether percolation occurs in coal rock, and supports the outburst percolation theory. It was found that percolation probability and correlation length increase with greater porosity, and that the number of pore clusters decreases as porosity increases.
View Article and Find Full Text PDFJ Chromatogr A
January 2025
Division of Pharmacognosy, School of Pharmaceutical Sciences, State Key Laboratory of Natural and Biomimetic Drugs, Peking University, 38 Xueyuan Road, Beijing 100191, China; Medical College, Tibet University, Lhasa 850002, China. Electronic address:
Identification of constitutive herbs in an herbal product is critical for ensuring its quality and efficacy. However, current identification methods often lack universality, entail long durations, and involve complex procedures. Therefore, there is an urgent need to develop innovative methods for identifying constitutive herbs.
View Article and Find Full Text PDFJ Chem Inf Model
January 2025
Department of Chemical Engineering, National Taiwan University, No. 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan.
Accurately predicting activation energies is crucial for understanding chemical reactions and modeling complex reaction systems. However, the high computational cost of quantum chemistry methods often limits the feasibility of large-scale studies, leading to a scarcity of high-quality activation energy data. In this work, we explore and compare three innovative approaches (transfer learning, delta learning, and feature engineering) to enhance the accuracy of activation energy predictions using graph neural networks, specifically focusing on methods that incorporate low-cost, low-level computational data.
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