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Beyond the Dailey-Townes Model: Chemical Information from the Electric Field Gradient.
J Phys Chem A
January 2025
Laboratoire de Chimie et Physique Quantique, UMR 5626 CNRS - Université Toulouse III-Paul Sabatier, 118 Route de Narbonne, F-31062 Toulouse, France.
In this work, we reexamine the Dailey-Townes model by systematically investigating the electric field gradient (EFG) in various chlorine compounds, dihalogens, and the uranyl ion (). Through the use of relativistic molecular calculations and projection analysis, we decompose the EFG expectation value in terms of atomic reference orbitals. We show how the Dailey-Townes model can be seen as an approximation to our projection analysis.
View Article and Find Full Text PDFTransforming Medicine: Cutting-Edge Applications of Nanoscale Materials in Drug Delivery.
ACS Nano
January 2025
CAS, a division of the American Chemical Society, Columbus, Ohio 43210, United States.
Since their inception in the early 1960s, the development and use of nanoscale materials have progressed tremendously, and their roles in diverse fields ranging from human health to energy and electronics are undeniable. The application of nanotechnology inventions has revolutionized many aspects of everyday life including various medical applications and specifically drug delivery systems, maximizing the therapeutic efficacy of the contained drugs by means of bioavailability enhancement or minimization of adverse effects. In this review, we utilize the CAS Content Collection, a vast repository of scientific information extracted from journal and patent publications, to analyze trends in nanoscience research relevant to drug delivery in an effort to provide a comprehensive and detailed picture of the use of nanotechnology in this field.
View Article and Find Full Text PDFCarcinosarcoma of the breast: Facing the challenge of a rare nosologic entity.
World J Clin Cases
January 2025
Department of Surgery, National and Kapodistrian University of Athens, Athens 11527, Greece.
Carcinosarcoma (CS), also known as metaplastic breast carcinoma with mesenchymal differentiation, is one of the five distinct subtypes of metaplastic breast cancer. It is considered as a mixed, biphasic neoplasm consisting of a carcinomatous component combined with a malignant nonepithelial element of mesenchymal origin without an intermediate transition zone. Although cellular origin of this neoplasm remains controversial, most researchers declare that neoplastic cells derive from a cellular structure with potential biphasic differentiation.
View Article and Find Full Text PDFIntravenous versus intramuscular route of administration of natural adrenocorticotropic hormone in infantile epileptic spasm syndrome.
Transl Pediatr
December 2024
Department of Pediatrics, West China Second University Hospital, Sichuan University, Chengdu, China.
Background: Infantile epileptic spasm syndrome (ISS) is an age-dependent epileptic condition typically emerging within the first year of life, and adrenocorticotropic hormone (ACTH) has been established as a first-line therapeutic drug for the ISS since 1958. However, there is a notable variation in ACTH dosage practices worldwide, with intramuscular injection being common in some countries and intravenous drip preferred in others, including China. This study aimed to identify a preferable administration modality for ACTH-based utilization in treating ISS.
View Article and Find Full Text PDFMetal oxides are promising catalysts for small molecule hydrogen chemistries, mediated by interfacial proton-coupled electron transfer (PCET) processes. Engineering the mechanism of PCET has been shown to control the selectivity of reduced products, providing an additional route for improving reductive catalysis with metal oxides. In this work, we present kinetic resolution of the rate determining proton-transfer step of PCET to a titanium-doped POV, TiVO(OCH) with 9,10-dihydrophenazine by monitoring the loss of the cationic radical intermediate using stopped-flow analysis.
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