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Predicting Carbonic Anhydrase Binding Affinity: Insights from QM Cluster Models.
J Phys Chem B
January 2025
School of Chemistry, The University of New South Wales, Sydney, NSW 2052, Australia.
A systematic series of QM cluster models has been developed to predict the trend in the carbonic anhydrase binding affinity of a structurally diverse dataset of ligands. Reference DLPNO-CCSD(T)/CBS binding energies were generated for a cluster model and used to evaluate the performance of contemporary density functional theory methods, including Grimme's "3c" DFT composite methods (rSCAN-3c and ωB97X-3c). It is demonstrated that when validated QM methods are used, the predictive power of the cluster models improves systematically with the size of the cluster models.
View Article and Find Full Text PDFExploring the progress and trends of immunotherapy for type 1 diabetes: A comprehensive bibliometric analysis spanning nearly two decades.
Obes Rev
January 2025
Department of Endocrinology and Metabolism, The Second Affiliated Hospital, Jiangxi Medical College, Nanchang University, Nanchang, China.
Introduction: Immunotherapy is a crucial treatment for type 1 diabetes (T1D), yet analyses focusing on research priorities and trends in this field are limited. Therefore, this study employs bibliometric methods to systematically explore the current research status of immunotherapy for T1D.
Methods: Based on the Web of Science Core Collection Database, 1573 articles and review articles related to immunotherapy for T1D published from 2004 to 2023 were screened for bibliometric analysis.
Bibliometric Analysis of the Highest Cited Cosmetic Upper Facial Plastic Surgery Articles Over 50 Years.
Aesthet Surg J Open Forum
December 2024
In this bibliometric analysis, the authors analyze the top 100 (T100) most cited articles on cosmetic upper facial plastic surgery. Throughout this study, the objective of the authors is to delineate the trends in cosmetic upper facial surgeries to identify prevailing techniques, emerging trends, and potential areas of future investigation. The articles were indexed from the Web of Science database and were extracted in a double-blinded manner by 2 independent graders.
View Article and Find Full Text PDFThe First Multiomics Association Study of Trace Element and Mineral Concentration and RNA Sequencing Profiles in Human Cancers.
Biochemistry (Mosc)
December 2024
Digital Biodesign and Personalized Healthcare Research Center, Sechenov University, Moscow, 119991, Russia.
Integration of various types of omics data is an important trend in contemporary molecular oncology. In this regard, high-throughput analysis of trace and essential elements in cancer biosamples is an emerging field that has not yet been sufficiently addressed. For the first time, we simultaneously obtained gene expression profiles (RNA sequencing) and essential and trace element profiles (inductively coupled plasma mass spectrometry) for a set of human cancer samples.
View Article and Find Full Text PDFNew Trends and Future Perspectives in the Diagnosis of Urothelial Carcinoma: A Comprehensive Review of the Literature.
Medicina (Kaunas)
January 2025
Urology Department, Metropolitan Hospital, Neo Faliro, 18547 Piraeus, Greece.
Despite the high incidence of bladder cancer (it represents the 7th most common cancer in males), EAU guidelines do not recommend any technique for screening and prevention, whereas the main diagnostic tools remain computed tomography urography (CTU), cytology, and cystoscopy. Unfortunately, these gold-standard modalities are mainly characterized by low sensitivity and accuracy. To minimize the limitations and increase the detection rates of urothelial cancer, several technologies have been developed.
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