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  1. Impact of do** with organic dopants and mixed do** with alkali metals and organic dopants on the absorption, electronic, optoelectronic, thermodynamic and nonlinear optical properties of dibenzo[b,def]chrysene in gaseous media: DFT and TD-DFT studies

    Context

    In this study, we evaluate the geometrical, absorption, optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of...

    C. D. Ribouem A. Bessong, M. T. Ottou Abe, ... J. M. B. Ndjaka in Journal of Molecular Modeling
    Article 02 July 2024
  2. Ab initio investigation on the mechanism of SO2 activation by P/B intermolecular frustrated Lewis pairs

    Context

    In silico study investigates the activation of sulfur dioxide by newly designed frustrated Lewis pairs, i.e., [P( t Bu) 3 …B(C 2 NBSHF 2 ) 3 ], where...

    Swapan Sinha, Santanab Giri in Journal of Molecular Modeling
    Article 02 July 2024
  3. Identification of common genetic factors and immune-related pathways associating more than two autoimmune disorders: implications on risk, diagnosis, and treatment

    Autoimmune disorders (ADs) are chronic conditions resulting from failure or breakdown of immunological tolerance, resulting in the host immune system...

    Aruna Rajalingam, Anjali Ganjiwale in Genomics & Informatics
    Article Open access 02 July 2024
  4. Filter bank temporally local multivariate synchronization index for SSVEP-based BCI

    Background

    Multivariate synchronization index (MSI) has been successfully applied for frequency detection in steady state visual evoked potential...

    Tingting Xu, Zhuojie Ji, ... Lei Wang in BMC Bioinformatics
    Article Open access 02 July 2024
  5. Performance Enhancement of Aquivion-based Ionic Polymer Metal Composites for Cylindrical Actuators

    As a kind of ionic artificial muscle material, Ionic Polymer–Metal Composites (IPMCs) have the advantages of a low drive current, light weight, and...

    **aojie Tong, Min Yu, ... Gengying Wang in Journal of Bionic Engineering
    Article 02 July 2024
  6. Unraveling Brain Synchronisation Dynamics by Explainable Neural Networks using EEG Signals: Application to Dyslexia Diagnosis

    Abstract

    The electrical activity of the neural processes involved in cognitive functions is captured in EEG signals, allowing the exploration of the...

    Nicolás J. Gallego-Molina, Andrés Ortiz, ... Wai Lok Woo in Interdisciplinary Sciences: Computational Life Sciences
    Article Open access 02 July 2024
  7. Discrete Marine Predators Algorithm for Symmetric Travelling Salesman Problem

    This paper addresses the well-known NP-hard problem, the Symmetric Travelling Salesman Problem (STSP), which has numerous applications in logistics...

    Manish Kumar, Karuna Panwar, Kusum Deep in Evolutionary Intelligence
    Article 02 July 2024
  8. The cuproptosis-related signature predicts the prognosis and immune microenvironments of primary diffuse gliomas: a comprehensive analysis

    Background

    Evidence has revealed a connection between cuproptosis and the inhibition of tumor angiogenesis. While the efficacy of a model based on...

    Tao Chang, Yihan Wu, ... Yuan Yang in Human Genomics
    Article Open access 02 July 2024
  9. Unveiling the molecular landscape of cognitive aging: insights from polygenic risk scores, DNA methylation, and gene expression

    Background

    Aging represents a significant risk factor for the occurrence of cerebral small vessel disease, associated with white matter (WM) lesions,...

    Sonya Neto, Andreia Reis, ... Gabriela R. Moura in Human Genomics
    Article Open access 02 July 2024
  10. Tracking-seq reveals the heterogeneity of off-target effects in CRISPR–Cas9-mediated genome editing

    The continued development of novel genome editors calls for a universal method to analyze their off-target effects. Here we describe a versatile...

    Ming Zhu, Runda Xu, ... Xun Lan in Nature Biotechnology
    Article 02 July 2024
  11. Impact of SOFC anode carbon deposition and hydrogen adsorption on the cell performance by molecular simulation

    Context

    This study primarily investigates the changes in carbon adsorption capacity and hydrogen adsorption capacity on the anode catalyst surface...

    Hsin-Yi Lai, Ding-Yi Cheng, Yen-Hsin Chan in Journal of Molecular Modeling
    Article 02 July 2024
  12. A novel variant in GAS2 is associated with autosomal dominant nonsyndromic hearing impairment in a Chinese family

    Knockout of GAS2 (growth arrest-specific protein 2), causes disorganization and destabilization of microtubule bundles in supporting cells of the...

    Lu** Zhang, Danya Zheng, ... Nana ** in Human Genomics
    Article Open access 02 July 2024
  13. Detecting haplotype-specific transcript variation in long reads with FLAIR2

    Background

    RNA-seq has brought forth significant discoveries regarding aberrations in RNA processing, implicating these RNA variants in a variety of...

    Alison D. Tang, Colette Felton, ... Angela N. Brooks in Genome Biology
    Article Open access 02 July 2024
  14. Unsupervised modeling of mutational landscapes of adeno-associated viruses viability

    Adeno-associated viruses 2 (AAV2) are minute viruses renowned for their capacity to infect human cells and akin organisms. They have recently emerged...

    Matteo De Leonardis, Jorge Fernandez-de-Cossio-Diaz, ... Andrea Pagnani in BMC Bioinformatics
    Article Open access 02 July 2024
  15. Hitac: a hierarchical taxonomic classifier for fungal ITS sequences compatible with QIIME2

    Background

    Fungi play a key role in several important ecological functions, ranging from organic matter decomposition to symbiotic associations with...

    Fábio M. Miranda, Vasco C. Azevedo, ... Vitor C. Piro in BMC Bioinformatics
    Article Open access 02 July 2024
  16. Quantifying functional redundancy in polysaccharide-degrading prokaryotic communities

    Background

    Functional redundancy (FR) is widely present, but there is no consensus on its formation process and influencing factors. Taxonomically...

    Dan-dan Li, Jianing Wang, ... Zheng Zhang in Microbiome
    Article Open access 02 July 2024
  17. SGCP: a spectral self-learning method for clustering genes in co-expression networks

    Background

    A widely used approach for extracting information from gene expression data employs the construction of a gene co-expression network and...

    Niloofar Aghaieabiane, Ioannis Koutis in BMC Bioinformatics
    Article Open access 02 July 2024
  18. Exploring Bacillus species xylanases for industrial applications: screening via thermostability and reaction modelling

    Context

    Xylanases derived from Bacillus species hold significant importance in various large-scale production sectors, with increasing demand driven...

    Sree Agash S.G, R. Rajasekaran in Journal of Molecular Modeling
    Article 02 July 2024
  19. A Novel Detection Method for High-Order SNP Epistatic Interactions Based on Explicit-Encoding-Based Multitasking Harmony Search

    To elucidate the genetic basis of complex diseases, it is crucial to discover the single-nucleotide polymorphisms (SNPs) contributing to disease...

    Article 02 July 2024
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