The Basis Set Exchange (BSE) has been a prominent fixture in the quantum chemistry community. First publicly available in 2007, it is recognized by both users and basis set creators as the de facto source for information related to basis sets. This popular resource has been rewritten, utilizing modern software design and best practices. The basis set data has been separated into a stand-alone library with an accessible API, and the Web site has been updated to use the current generation of web development libraries. The general layout and workflow of the Web site is preserved, while helpful features requested by the user community have been added. Overall, this design should increase adaptability and lend itself well into the future as a dependable resource for the computational chemistry community. This article will discuss the decision to rewrite the BSE, the new architecture and design, and the new features that have been added.
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http://dx.doi.org/10.1021/acs.jcim.9b00725 | DOI Listing |
Langenbecks Arch Surg
January 2025
Department of Urology, Second Affiliated Hospital of Dalian Medical University, Dalian, Liaoning, China.
Background: There are multiple surgical approaches for treating symptomatic simple renal cysts (SSRCs). The natural orifice transluminal endoscopic surgery (NOTES) approach has gradually been applied as an emerging minimally invasive approach for the treatment of SSRCs. However, there are no clear indicators for selecting the NOTES approach for patients with SSRCs.
View Article and Find Full Text PDFJ Med Internet Res
December 2024
Laboratoire d'Informatique Médicale et d'Ingénierie des Connaissances en e-Santé - LIMICS, Inserm, Université Sorbonne Paris-Nord, Sorbonne Université, Paris, France.
Background: Artificial intelligence (AI) applied to real-world data (RWD; eg, electronic health care records) has been identified as a potentially promising technical paradigm for the pharmacovigilance field. There are several instances of AI approaches applied to RWD; however, most studies focus on unstructured RWD (conducting natural language processing on various data sources, eg, clinical notes, social media, and blogs). Hence, it is essential to investigate how AI is currently applied to structured RWD in pharmacovigilance and how new approaches could enrich the existing methodology.
View Article and Find Full Text PDFJ Environ Manage
January 2025
College of Management of Sichuan Agricultural University, Chengdu, 611130, China; Sichuan Key Laboratory of Philosophy and Social Science, National Key Laboratory of Food Security and Tianfu Granary, Sichuan Agricultural University, Chengdu, 611130, China. Electronic address:
Changing land use is one of the main factors influencing global climate change and the imbalance in the carbon cycle. Consequently, the focus of international organizations and the academic community is on strategies to mitigate carbon emissions or improve carbon sequestration by optimizing land use structure and function. Since 2019, China's Zhejiang Province has implemented a township-level pilot policy, exploring a comprehensive land consolidation (CLC for short) pilot policy that includes all elements of "mountains, rivers, forests, farmlands, lakes, and grasslands.
View Article and Find Full Text PDFProstaglandins Leukot Essent Fatty Acids
December 2024
Department of Medicine III, Division of Endocrinology and Metabolism, Medical University of Vienna, Austria; Department of Medicine III and Karl Landsteiner Institute for Metabolic Diseases and Nephrology, Clinic Hietzing, Vienna, Austria. Electronic address:
Background And Aims: Obesity is associated with a higher risk of severe diseases such as atherosclerotic cardiovascular disease, type 2 diabetes mellitus (T2DM), and metabolic dysfunction-associated steatotic liver disease (MASLD). Polyunsaturated fatty acids, of the omega-3 family (n-3 PUFA), have been shown to reduce adipose tissue inflammation in obesity, as well as to have lipid-lowering effects and improve insulin sensitivity. However, direct effects on liver transcriptome in humans have not been described.
View Article and Find Full Text PDFJ Forensic Odontostomatol
December 2024
Faculdade de Medicina Dentária da Universidade do Porto.
The activity of a dentist reveals itself in numerous aspects, and its regulation is determined by the Deontological Code of the Dental Association, which contains a set of rules that dentists are obliged to follow in the exercise of their profession. The regulation of this activity goes beyond following these precepts because, in the legal relationship that is established whenever an agreement is made with a patient to carry out the treatment deemed appropriate, a series of duties and obligations begin for each party, translated into a reciprocal contract, in which the non-compliance of one of them may result in a legal claim. The objective of this study was to research most court decisions delivered in this century, in Portugal, regarding the activity of dentists when faced with patient claims and to outline a framework that better allows us to understand the regulation of this activity within the scope of the contracts established with them.
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