Molecular mechanisms of photosensitization induced by drugs XIV: Two different behaviours in the photochemistry and photosensitization of antibacterials containing a fluoroquinolone like chromophore by G. De Guidi, S. Giuffrida, S. Monti, P. S. Pisu, S. Sortino, L. L. Costanzo

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Molecular and biological characterization of infectious full-length cDNA clones of two viruses in Paris yunnanensis, including a novel potyvirus by Pingxiu Lan, Peng He, Aiqiu Mu, Mengji Cao, Yun Wang, Guohua Zhou, Xiaojiao Chen, Hong Cai, Fan Li

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Molecular phylogenetic studies on the lichenicolous Xanthoriicola physciae reveal Antarctic rock-inhabiting fungi and Piedraia species among closest relatives in the Teratosphaeriaceae by C. Ruibal, A.M. Millanes, D.L. Hawksworth

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Molecular Analysis of a Genetic Variants Panel Related to Nutrients and Metabolism: Association with Susceptibility to Gestational Diabetes and Cardiometabolic Risk in Affected Women by Marica Franzago, Federica Fraticelli, Antonio Nicolucci, Claudio Celentano, Marco Liberati, Liborio Stuppia, Ester Vitacolonna

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Achieving a Near-Infrared Absorption by A−DA’D−A Type Isoindigo-Based Small Molecular Acceptors for Organic Photovoltaics by Hui Liu, Yu Wu, Dong-Nai Ye, Na Chen, Xu-Min Huang, Shi-Yong Liu

“…Both URAs, despite the absence of non-covalent conformation locking between CPDT and IID, demonstrated favorable molecular planarity, broad absorption ranges, low band gaps, and high molar absorption coefficients. …”
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Engineering and design of a COF-coated probe for the detection and removal of flumequine and enrofloxacin antibiotics in foodstuffs: a molecular dynamics simulation approach by Alireza Nakhaei, Heidar Raissi, Maryam Alaei, Farzaneh Farzad

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Concurrent B Cell Acute Lymphoblastic Lymphoma/Leukemia and Monoclonal B Cell Lymphocytosis: A Case Report with Extensive Molecular Analysis by Maryam Mehdipour Dalivand, Parastou Tizro, Julie Partain, Anita Aggarwal, Jack Lichy, Francisco Mot Ara, Victor E. Nava

“…Here, we present two different B cell clones, MBL and B-ALL, cocirculating in a 78-year-old African American male. Detailed molecular characterization revealed an unusual MPL (T487I) point mutation and unmutated VH4-39. …”
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Mechanism of Radix Bupleuri and Hedysarum Multijugum Maxim drug pairs on liver fibrosis based on network pharmacology, bioinformatics and molecular dynamics simulation. by Lefei Yu, Pan Yu, Yongchang Cao, Weiya Cao

“…A number of studies demonstrate the therapeutic effectiveness of Radix Bupleuri (RB) and Hedysarum Multijugum Maxim (HMM) in treating liver fibrosis, but the exact molecular mechanisms remain unclear. This study aims to explore the mechanism of RB-HMM drug pairs in treating liver fibrosis by using network pharmacology, bioinformatics, molecular docking, molecular dynamics simulation technology and in vitro experiments. …”
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Molecular dynamics simulations reveal efficient heavy metal ion removal by two-dimensional Cu-THQ metal-organic framework membrane by Jinjun Chen, Zonglin Gu, Jose Manuel Perez-Aguilar, Yanbo Luo, Kuifeng Tian, Yuqi Luo

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RETRACTED ARTICLE: A prospective diagnostic model for breast cancer utilizing machine learning to examine the molecular immune infiltrate in HSPB6 by Lizhe Wang, Yu Wang, Yueyang Li, Li Zhou, Sihan Liu, Yongyi Cao, Yuzhi Li, Shenting Liu, Jiahui Du, Jin Wang, Ting Zhu

“…Conclusion Our findings have identified compelling molecular targets and distinctive diagnostic markers for the clinical management of breast cancer. …”
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How cells align to structured collagen fibrils: a hybrid cellular Potts and molecular dynamics model with dynamic mechanosensitive focal adhesions by Koen A. E. Keijzer, Erika Tsingos, Erika Tsingos, Roeland M. H. Merks, Roeland M. H. Merks

“…We present a hybrid computational model coupling three mathematical approaches: first, the cellular Potts model (CPM) describes an individual contractile cell; second, molecular dynamics (MD) represent the ECM as a network of cross-linked, deformable fibers; third, a set of ordinary differential equations (ODEs) describes the dynamics of the cell’s FAs, in terms of a balance between assembly and a mechanoresponsive disassembly. …”
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Proteogenomic analysis reveals Arp 2/3 complex as a common molecular mechanism in high risk pancreatic cysts and pancreatic cancer by A. K. M. Firoj Mahmud, Dina Gamaleldin Mansour Aly, Yelin Zhao, Mikael Benson, Martin Smelik, Oleg Sysoev, Hui Wang, Xinxiu Li

“…Further analysis with identified GWAS genes highlighted the Actin Related Protein (Arp) 2/3 complex as a potentially important molecular mechanism connecting benign cysts and PC. …”
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Understanding the Molecular Mechanisms of Incomptine A in Treating Non-Hodgkin Lymphoma Associated with U-937 Cells: Bioinformatics Approaches, Part I by Fernando Calzada, Normand García-Hernández, Elihú Bautista, José Manuel Sánchez-López, Miguel Valdes, Claudia Velázquez, Elizabeth Barbosa

“…<b>Methods</b>: Five approaches, including Tandem Mass Tag (TMT), Gene ontology (GO), Reactome, KEGG pathway analysis, and molecular docking, were used. <b>Results</b>: TMT showed that 74 proteins were differentially expressed, out of which 12 presented overexpression (FC ≥ 1.5) and 62 were under expressed (FC ≤ 0.67). …”
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Effect of Molecular Structure on the B3LYP-Computed HOMO–LUMO Gap: A Structure −Property Relationship Using Atomic Signatures by Ahmed Mohamed, Donald P. Visco, Karl Breimaier, David M. Bastidas

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Molecular genetic detection and differentiation of <i>Xanthomonas oryzae</i> pv. <i>oryzicola</i>, bacterial leaf streak agents of rice by M. L. Koroleva, S. A. Blinova, A. A. Shvartsev, V. E. Kurochkin, Ya. I. Alekseev

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Epidemiological and molecular characteristics of extraintestinal pathogenic escherichia coli isolated from diseased cattle and sheep in Xinjiang, China from 2015 to 2019 by Xiaoxiao Gu, Qin Wu, Yingjin Chai, Xin Huang, Xia Zhou, Mengli Han, Tongzhong Wu, Xingxing Zhang, Fagang Zhong

“…This study aims to explore the current status and molecular characteristics of Escherichia coli infection in cattle and sheep in Xinjiang, as part of the disease prevention and control strategy. …”
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Molecular Identification and Traceability of Illegal Trading in Lignobrycon myersi (Teleostei: Characiformes), a Threatened Brazilian Fish Species, Using DNA Barcode by Alexandre dos Santos Rodrigues, José Henrique Souza Galdino Brandão, Jamille de Araújo Bitencourt, Ricardo Jucá-Chagas, Iracilda Sampaio, Horácio Schneider, Paulo Roberto Antunes de Mello Affonso

“…Phylogenetically related species (Triportheus spp.) and other fish species (Astyanax fasciatus) commonly mixed with L. myersi in street markets were also included to test the efficiency of molecular identification. In spite of the differences in conservation processes and advanced deterioration of some commercial samples, high-quality COI sequences were obtained and effective in discriminating L. myersi specimens. …”
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In vitro and molecular docking evaluation of black sesame seeds' anti-prostate cancer and antioxidant activity processed by nine steaming nine drying by Glennielyn D. Magdamit, Cheng-Yang Hsieh, Mon-Juan Lee, Kathlia A. De Castro-Cruz, Samantha Franchette B. Austria, Beatrice D. Sipat, Steven Kuan-Hua Huang, Po-Wei Tsai

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Repurposing antiviral drugs targeting the PARP-1 and HER2 pathways with multifaceted impacts through integrated network analysis and molecular mechanics by Uma Maheshwari Mugundan, Praveen Sekar, Rajanandh Muhasaparur Ganesan

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Cheminformatics Exploration of Structural Physicochemical Properties, Molecular Fingerprinting, and Diversity of the Chemical Space of Compounds from Betel Nut (Areca catechu L.) by Yubing Li, Xinyue Wang, Haixuan Sun, Hongxin Wang, Chaoyang Ma

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