Results 271 to 280 of about 406,468 (397)

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

Advanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod, Ajay Vikram Singh, Preeti Bhardwaj, Tulika Rai, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Peter Laux, Andreas Luch, Christopher J. Osgood, Michael W. Stacey   +10 more
wiley   +1 more source

Insights into the Controlled Formation of Zr‐Based Metal–Organic Gels: Linking Macroscopic Properties with Molecular Information from Solution State NMR

Angewandte Chemie, EarlyView.
Real time STD/SDTD NMR unveils water structuring during UiO‐66 gelation under mild, acid‐free conditions compatible with biomolecule encapsulation. This approach bridges molecular‐scale solvent ordering with macroscopic gel properties, unlocking mechanistic insight for the rational design of MOF gels.
Juan C. Muñoz‐García, Francisco G. Moscoso, Elena M. Sánchez‐Fernández, Jenifer Santos, Jesús Angulo, Carolina Carrillo‐Carrión   +5 more
wiley   +2 more sources

Analysis of curing effect of bulk curing barns with different types of biomass combustion equipment. [PDF]

Sci Rep
Wu S, Xu Q, Gou J, Shen C, Zhao C, Jiang S, Lou Y, Song C, Jing X, Wang J, Mo J, Cao G.   +11 more
europepmc   +1 more source

Bayesian Optimization Guiding the Experimental Mapping of the Pareto Front of Mechanical and Flame‐Retardant Properties in Polyamide Nanocomposites

Advanced Intelligent Discovery, EarlyView.
Bayesian optimization enabled the design of PA56 system with just 8 wt% additives, achieving limiting oxygen index 30.5%, tensile strength 80.9 MPa, and UL‐94 V‐0 rating. Without prior knowledge, the algorithm uncovered synergistic effects between aluminum diethyl‐phosphinate and nanoclay.
Burcu Ozdemir, Miguel Hernández‐del‐Valle, Christina Schenk, De‐Yi Wang, Maciej Haranczyk   +4 more
wiley   +1 more source

Evaluation of complete diesel replacement using propanol and biodiesel blends with carbon nanotube additives. [PDF]

Sci Rep
Çelebi Y.
europepmc   +1 more source

HEAT OF COMBUSTION OF ACTIVATED ERGOSTEROL

Journal of Biological Chemistry, 1931
Charles E. Bills, Francis G. McDonald, LaMar N. BeMiller, Godfrey E. Steel, Mildred Nussmeier   +4 more
openaire   +1 more source

Machine Motion Equations at the Internal Combustion Heat Engines [PDF]

, 2015
Florian Ion Tiberiu Petrescu
openalex  

Convective and Radiative Heat Transfer Analysis in a Three‐Step Exothermic Chemical Reaction: Case Study—Methane Combustion [PDF]

Ramoshweu Solomon Lebelo, Tranos Zuva
openalex   +1 more source

ChatCFD: A Large Language Model‐Driven Agent for End‐to‐End Computational Fluid Dynamics Automation with Structured Knowledge and Reasoning

Advanced Intelligent Discovery, EarlyView.
Chat computational fluid dynamics (CFD) introduces an large language model (LLM)‐driven agent that automates OpenFOAM simulations end‐to‐end, attaining 82.1% execution success and 68.12% physical fidelity across 315 benchmarks—far surpassing prior systems.
E Fan, Kang Hu, Zhuowen Wu, Jiangyang Ge, Jiawei Miao, Yuzhi Zhang, He Sun, Weizong Wang, Tianhan Zhang   +8 more
wiley   +1 more source

M–O–C Catalysts: Copper Single Atoms Supported on Oxocarbon Covalent Networks as Electrocatalysts for Glycerol Oxidation to Formic Acid

Angewandte Chemie, EarlyView.
We introduce a new class of single‐atom electrocatalysts based on oxygen‐coordinated metal sites embedded in oxocarbon networks (M–O–C), alternative to traditional M–N–C materials. A Cu–O–C catalyst derived from oxocarbon precursors exhibits highly dispersed Cu single atoms and delivers faster glycerol oxidation kinetics and higher formate selectivity ...
Xinyue Zheng, Teodor Jianu, Yizhou Dai, Anastaios Orestis Grammennos, Nadezda V. Tarakina, Fernando Igoa Saldaña, Jiatu Liu, Zhihong Tian, Markus Antonietti, Mateusz Odziomek   +9 more
wiley   +2 more sources