Results 61 to 70 of about 6,707 (205)

Nanostructured Deep Eutectic Systems in Healthcare: From Bioactive Solvents to Intelligent Biointerfaces, Wearables, and AI‐Driven Design

Advanced NanoBiomed Research, Volume 6, Issue 10, October 2026.
Beyond the green solvent paradigm, this review redefines Deep Eutectic Systems (DES) as programmable supramolecular nanoassemblies. We survey their biomedical convergence: stabilizing thermolabile mRNA to enable cold chain‐free logistics, reshaping transdermal microneedle delivery, enabling long‐term wearables via eutectogels, and utilizing Generative ...
Jeesu Moon, Min Seo Kim, Jae‐Seung Lee
wiley   +1 more source

Harary-Albertson index of graphs [PDF]

Contributions to Mathematics, 2021
Zhen Lin
doaj   +1 more source

Optical Basicity of Glasses: Review and Application in Nuclear Glass Formulation

International Journal of Applied Glass Science, Volume 17, Issue 4, October 2026.
A self‐consistent set of optical basicity (OB) values was compiled and evaluated for 95 binary oxides using electronegativity, ionic–covalent, and optical‐property approaches, providing a robust basis for estimating the basicity of complex compounds and glasses.
John McCloy, John Bussey, Wyatt Kiff
wiley   +1 more source

Estudo da correlação quantitativa entre estrutura e propriedade (QSPR) usando descritores topológicos para compostos carbonílicos alifáticos [PDF]

, 2001
Tese (doutorado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas. Curso de Pós-Graduação em QuímicaNeste trabalho foi aplicada a relação quantitativa entre estrutura e atividade, empregando-se diferentes descritores ...
Amboni, Renata Dias de Mello Castanho
core  

Quantitative structure-property relationship (QSPR) study for the degradation of dye wastewater by Mo-Zn-Al-O catalyst

, 2016
Quantitative structure-property relationships (QSPR) between the structure of dyes and the discoloration rate of dyes were established to predict the discoloration rate of dyes in catalytic wet air oxidation (CWAO) process. The DFT-based quantum chemical
Zhu, Run-liang, Chen, Xiao-ying, Ge, Fei, Xu, Yin, Li, Yang   +4 more
core   +1 more source

Machine Learning Enabled Prediction and Interpretation of the Initial Dissolution Rates of Nuclear Waste Glasses

International Journal of Applied Glass Science, Volume 17, Issue 4, October 2026.
ABSTRACT Accurate prediction of chemical durability, such as dissolution rate, is crucial for glass materials used in diverse applications, including pharmaceutical packaging and nuclear waste disposal. In this work, machine learning‐based prediction models were developed using structural descriptors derived from molecular dynamics (MD) simulations and
Wenqing Xie, Jayani Kalahe, Kenneth Sanders, Manzila Islam Tuheen, Benjamin Parruzot, Joelle T. Reiser, Stéphane Gin, James J. Neeway, Nicholas A. Lumetta, John D. Vienna, Jincheng Du, Xiaonan Lu   +11 more
wiley   +1 more source

A QSPR analysis of physical properties of antituberculosis drugs using neighbourhood degree-based topological indices and support vector regression

Heliyon
Topological indices are molecular descriptors used in QSPR modelling to predict the physicochemical properties of molecules. Topological indices are used in numerous applications in drug design.
Muhammad Shafii Abubakar, Kazeem Olalekan Aremu, Maggie Aphane, Lateef Babatunde Amusa   +3 more
doaj   +1 more source

WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS

Indonesian Journal of Chemistry, 2010
The weighted holistic invariant molecular-three dimensional-quantitative structure property relationship (WHIM-3D-QSPR) approach has been applied to the study of the aqueous solubility (- log Sw) of chlorinated hydrocarbon compounds (CHC's). The obtained
Oman Zuas
doaj   +1 more source

AI‐Accelerated Design and Modeling of Organic Electrochemical Energy Materials: From Redox‐Active Molecules to Polymer Electrolytes

Macromolecular Materials and Engineering, Volume 311, Issue 9, September 2026.
AI is reshaping the design and modeling of organic electrochemical energy materials, from redox‐active molecules to polymer electrolytes. Progress across data‐driven prediction, machine‐learning interatomic potentials, generative models, and agentic workflows is assessed, while persistent challenges in data quality, polymer representation, validation ...
Zhan‐Yun Zhang, Giannis Savvas, Jichen Li, Yue Zhou, Thanh Trung Le, Daniel Brandell, Rocío Mercado, Chao Zhang   +7 more
wiley   +1 more source

Voltammetric and theoretical studies of electrochemical behavior of cephalosporins at the mercury electrode [PDF]

Journal of the Serbian Chemical Society, 2015
Study of the adsorption and electroreduction behavior of cefpodoxime proxetil, cefotaxime, desacetylcefotaxime, cefetamet, ceftriaxone, ceftazidime, and cefuroxime axetile at the mercury electrode surface has been performed using Cyclic (CV ...
Nikolić Katarina, Aleksić Mara M., Kapetanović Vera, Agbaba Danica   +3 more
doaj   +1 more source