Results 251 to 260 of about 1,839,261 (340)

Predicting both thermodynamic and kinetic properties of crystallizing molecules via transformer‐based language model

open access: yesAIChE Journal, EarlyView.
Abstract Crystallization is pivotal in the chemical and pharmaceutical industry, affecting particle stability, and drug release. Crystal size distribution (CSD), a critical attribute of the final dosage form, is determined by the molecular structure of the crystallizing entity.
Silabrata Pahari   +3 more
wiley   +1 more source

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

open access: yesAdvanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Advancements in Graphdiyne‐Based Multiscale Catalysts for Green Hydrogen Energy Conversion

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review systematically explores the fundamental characteristics of graphdiyne (GDY), cutting‐edge field of GDY‐based multiscale catalysts within sustainable energy conversion systems.Special emphasis is placed on the structure‒property relationships in different reactions.
Qian Xiao, Lu Qi, Siao Chen, Yurui Xue
wiley   +1 more source

Isotope labeling of Neurospora DNA

open access: yesFungal Genetics Reports, 1965
W. McWhorter   +2 more
openaire   +2 more sources

Piano‐Stool Rhodium(V) and Rhodium(IV) Intermediates in C─H Functionalization and B─H Functionalization: Mechanistic Insights and Emerging Reactivity

open access: yesAsian Journal of Organic Chemistry, EarlyView.
High‐valent Rh(IV) and Rh(V) species have been invoked to rationalize enhanced catalytic reactivity. This review examines evidence for both, emphasizing reactions proceeding through the Rh(III)/Rh(IV)/Rh(II) cycle. While Rh(V) intermediates are computationally supported, experimental evidence is limited; Rh(IV) species are supported by both theory and ...
Yujie Cao, Arnav Kacker, Kevin G. M. Kou
wiley   +1 more source

Production of stable isotope-labeled acyl-coenzyme A thioesters by yeast stable isotope labeling by essential nutrients in cell culture.

open access: yesAnalytical Biochemistry, 2015
N. Snyder   +9 more
semanticscholar   +1 more source

The FindMNDBiomarker Program: Protein Changes in Motor Neuron Disease/Amyotrophic Lateral Sclerosis Postmortem Tissue and Biofluids

open access: yesAnnals of Neurology, EarlyView.
Objective Biomarkers of disease pathogenesis are critically needed for amyotrophic lateral sclerosis (ALS) to facilitate diagnosis and patient stratification into appropriate therapeutic trials. Proteomic studies offer significant potential to advance this, but reproducibility across laboratories is a key component toward identifying protein changes ...
Gabrielle L. Adler   +2 more
wiley   +1 more source

Advances on Albumin‐Based Carriers for Anticancer Drug Delivery

open access: yesAdvanced NanoBiomed Research, EarlyView.
This study systematically classifies the drug delivery modes of albumin by examining the characteristics of its surface‐active groups and internal binding sites. It provides an in‐depth analysis of various drug delivery strategies and their corresponding targeting mechanisms.
Ruoli Zhou   +4 more
wiley   +1 more source

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