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Biochemical Research Methods
Weijian Wang, Yong Feng, Xiaoyang Li
Summary: In this study, the mechanical properties of recycled concrete (RC) were improved through two different modification methods. The results showed that the compressive and shear strength of RC modified by Silane Coupling Agent (KH560)/Ethylene vinyl acetate copolymer (EVA) was higher than that of RC modified by EVA alone. The effects of separate and co-modification on RC were analyzed through multi-scale methods, and the results provided insights into the macro-mechanical properties, microstructure, chemical composition, and molecular mechanism of the modified RC.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biology
Omair Ali, Muhammad Saif-ur-Rehman, Tobias Glasmachers, Ioannis Iossifidis, Christian Klaes
Summary: This study introduces a novel hybrid model called ConTraNet, which combines the strengths of CNN and Transformer neural networks, and achieves significant improvement in classification performance with limited training data.
COMPUTERS IN BIOLOGY AND MEDICINE
(2024)
Article
Biochemical Research Methods
Hira Zubair, Muhamed Salim Akhter, Muhammad Waqas, Mariam Ishtiaq, Ijaz Ahmed Bhatti, Javed Iqbal, Ahmed M. Skawky, Rasheed Ahmad Khera
Summary: Improving open-circuit voltage is crucial for enhancing the overall efficiency of organic solar cells. This study successfully improved the open-circuit voltage by modulating the molecular structure and proposed a promising design concept for acceptor molecules that may contribute to the development of advanced organic solar cells.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Mathematical & Computational Biology
Zhihui Ma, Shenghua Li, Shuyan Han
Summary: In this paper, a nonlinear infectious disease model is proposed to consider the impact of information on vaccination behavior and contact patterns. The existence of equilibria and stability properties of the model are analyzed using a geometric approach. The double Hopf bifurcation around the endemic equilibrium is shown through mathematical derivation and numerical simulation. The optimal control problem is established and solved using Pontryagin's maximum principle, and the effectiveness of the proposed control strategies is demonstrated through numerical experiments.
INTERNATIONAL JOURNAL OF BIOMATHEMATICS
(2024)
Article
Biochemical Research Methods
Xue-Fen Zhang, Ning Wang, Xu-Dong Li, Xiang Li, Chen-Xiang Wang
Summary: In this study, the protection behaviors of superhydrophobic dodecyltrimethoxysilane for mild steel were explored using molecular dynamics simulation. The results showed that the absorption orientations of the silane and the wetting behaviors of water clusters played important roles in the protection mechanism. The superhydrophobic silane film exhibited a repulsive effect on water droplets, confining corrosive species to specific regions and reducing their diffusion coefficient, thereby improving the corrosion protection of the underlying metal substrate.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biochemical Research Methods
Nassima Bachir, Samir Kenouche, Jorge I. Martinez-Araya
Summary: This study investigates the local chemical reactivity of FOX-7 and explores the interaction between the compound and different metals. The findings suggest that the stability and charge transfers of the compound are influenced by the metal involved, and the interaction between Metallocene Methyl Cations and the compound shows potential for neutralization.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biochemical Research Methods
Biyu Xu, Luguang Liang, Yirong Jiang, Zuguo Zhao
Summary: This study investigates the underlying mechanisms of resistance to ibrutinib caused by the BTK L528W mutation using bioinformatics analysis and molecular dynamics simulations. The results demonstrate that the L528W mutation reduces BTK stability, decreases binding affinity, and leads to drug resistance and potential disease recurrence.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biology
Jun Cao, Lichao Yang, Ptolemaios Georgios Sarrigiannis, Daniel Blackburn, Yifan Zhao
Summary: Alzheimer's disease and Parkinson's disease are common neurodegenerative diseases. Effective brain connectivity has the potential for disease diagnosis. This study proposes a novel directed structure learning GNN model that combines brain connectivity estimations and graph neural network techniques for dementia diagnosis, achieving promising results.
COMPUTERS IN BIOLOGY AND MEDICINE
(2024)
Article
Biology
Alireza Rafiei, Milad Ghiasi Rad, Andrea Sikora, Rishikesan Kamaleswaran
Summary: This study aimed to improve machine learning model prediction of fluid overload by integrating synthetic data, which could be translated to other clinical outcomes.
COMPUTERS IN BIOLOGY AND MEDICINE
(2024)
Article
Biology
Siwei Tao, Zonghan Tian, Ling Bai, Yueshu Xu, Cuifang Kuang, Xu Liu
Summary: This study proposes a transfer learning-based method to address the phase retrieval problem in grating-based X-ray phase contrast imaging. By generating a training dataset and using deep learning techniques, this method improves image quality and can be applied to X-ray 2D and 3D imaging.
COMPUTERS IN BIOLOGY AND MEDICINE
(2024)
Article
Biology
Akshata K. Naik, Venkatanareshbabu Kuppili
Summary: Gene selection is crucial for classifying high-dimensional microarray gene expression data. This paper proposes a neural network-based embedded feature selection method called Weighted GCNN (WGCNN), which can capture non-linear interactions and solve multi-class problems. The WGCNN incorporates feature weighting and statistical guided dropout to avoid overfitting. Experimental validation demonstrates that the WGCNN performs well in terms of F1 score and number of features selected.
COMPUTERS IN BIOLOGY AND MEDICINE
(2024)
Article
Biology
Hongliang Guo, Hanbo Liu, Ahong Zhu, Mingyang Li, Helong Yu, Yun Zhu, Xiaoxiao Chen, Yujia Xu, Lianxing Gao, Qiongying Zhang, Yangping Shentu
Summary: In this paper, a BDSMA-based image segmentation method is proposed, which improves the limitations of the original algorithm by combining SMA with DE and introducing a cooperative mixing model. The experimental results demonstrate the superiority of this method in terms of convergence speed and precision compared to other methods, and its successful application to brain tumor medical images.
COMPUTERS IN BIOLOGY AND MEDICINE
(2024)
Article
Biology
Abir U. Igamberdiev
Summary: Biological systems strive to maximize self-maintenance and adaptability by establishing stable non-equilibrium states that organize the fluxes of matter and energy and control metabolic processes. These states are realized in autopoietic structures that operate based on biological codes. The principle of thermodynamic buffering optimizes metabolic fluxes, and in developing systems, the principle transforms into increasing external work. Bauer's concept of the stable non-equilibrium state places thermodynamics within the framework of internal biological causality, providing a relational theory of biological thermodynamics.
Article
Biochemical Research Methods
V. Nagarajan, M. Vaishnavi, R. Bhuvaneswari, R. Chandiramouli
Summary: Amino acids are essential for protein synthesis and their deficiency can affect sleep and mood. This study investigates the adsorption properties of alanine and asparagine amino acids on one-dimensional chair graphene nanotubes. The results show that alanine and asparagine are physically adsorbed on the nanotubes, which act as electron donors. Additionally, changes in the band gap and electron density of the graphene nanotubes are observed.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biology
Hansle Gwon, Imjin Ahn, Yunha Kim, Hee Jun Kang, Hyeram Seo, Heejung Choi, Ha Na Cho, Minkyoung Kim, Jiye Han, Gaeun Kee, Seohyun Park, Kye Hwa Lee, Tae Joon Jun, Young-Hak Kim
Summary: Electronic medical records have potential in advancing healthcare technologies, but privacy issues hinder their full utilization. Deep learning-based generative models can mitigate this problem by creating synthetic data similar to real patient data. However, the risk of data leakage due to malicious attacks poses a challenge to traditional generative models. To address this, we propose a method that employs local differential privacy (LDP) to protect the model from attacks and preserve the privacy of training data, while generating medical data with reasonable performance.
COMPUTERS IN BIOLOGY AND MEDICINE
(2024)
Article
Biology
Shuai Liu, Shuo Chen, Lanlan Xiao, Kaixuan Zhang, Yuan Qi, Hao Li, Yuan Cheng, Zixin Hu, Chensen Lin
Summary: This paper presents a mesoscopic cell-level numerical model based on dissipative particle dynamics to capture the complex interaction between deformable cells and flow within the DLD device. The model's credibility is established through numerical simulations and validation with experimental data. The study also extends the existing theory for predicting the zigzag mode in solid spherical particles to encompass the behavior of red blood cells, introducing a new concept of effective diameter that provides highly accurate predictions.
COMPUTERS IN BIOLOGY AND MEDICINE
(2024)
Article
Biology
Wei-luo Cai, Mo Cheng, Yi Wang, Pei-hang Xu, Xi Yang, Zheng-wang Sun, Wang-jun Yan
Summary: Cancer metastasis is a major cause of cancer progression and treatment difficulty. This study identified genes associated with different tissue metastases and proposed a CNN-based model, MDCNN, for predicting metastasis occurrence. The model achieved satisfactory prediction accuracy and outperformed other methods. Further analysis revealed pathways and immune infiltration associated with bone metastasis.
COMPUTERS IN BIOLOGY AND MEDICINE
(2024)
Article
Biochemical Research Methods
Crisciele Fontana, Joao Luiz de Meirelles, Hugo Verli
Summary: By using the GROMOS force field and molecular simulations, this study assessed the dynamics of STA-analogs in aqueous solution and their interaction with water, expanding the knowledge of the conformational space of these ligands and providing potential implications for understanding conformational selection during complexation.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biochemical Research Methods
Yufan Lu, Xingmin Guo, Shuya Liu
Summary: This paper investigates how to control the nontrivial topological structures of DNA nanocages by adjusting the number of ssDNA strands. A new algorithm and program are developed to calculate the component number of polyhedral links, filling the gap in computer programs on this aspect. The study provides a complete list of topological structures with different component numbers for DNA octahedrons assembled from one or more ssDNA strands.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biology
Hossein Sharifi, Lik Chuan Lee, Kenneth S. Campbell, Jonathan F. Wenk
Summary: In this study, a new multiscale model of the cardiovascular system named MyoFE is presented. The model integrates a mechanistic model of contraction at the myosin level into a finite element-based model of the left ventricle pumping blood through the systemic circulation. The model is coupled with a closed-loop feedback control of arterial pressure inspired by a baroreflex algorithm, showing the ability to maintain arterial pressure in different conditions.
COMPUTERS IN BIOLOGY AND MEDICINE
(2024)
