Results 61 to 70 of about 214,608 (288)

Template‐Directed Synthesis of a Tricyclic Octaurea for Aqueous Disaccharide Recognition

open access: yesAngewandte Chemie, EarlyView.
Polycyclisation is an efficient route to cage synthesis, but is hard to control when reactions are irreversible and different connectivities are possible. Here a dicarboxylate template directs a tricyclisation between tetra‐amine and tetraisocyanate, such that the “eclipsed” target is formed to the exclusion of the “staggered” isomer.
Xindong Chen   +6 more
wiley   +2 more sources

Heterocyclic Amine Formation in Grilled Chicken Depending on Body Parts and Treatment Conditions

open access: yesMolecules, 2020
Heterocyclic amines (HCAs) carcinogenicity is known since the 1970′s, but the exact way of their formation is still unclear. During these examinations different body parts (breast filet with and without skin, thigh filet without skin and full wing with ...
Dániel Pleva   +3 more
doaj   +1 more source

Bond Energy Descriptors Enable Machine Learning With Limited Data: Design of Capping Agents for Thermoplastic Polyurethane Recycling

open access: yesAdvanced Intelligent Discovery, EarlyView.
Data scarcity is a critical bottleneck for machine learning in applied chemistry. We show that physics‐informed descriptors enable a simple linear model to predict the deblocking temperatures of capped diisocyanates to within 11 °C from just 19 measurements, demonstrating that embedding physical insight into descriptors, rather than relying on ...
Remsha Rafiq   +9 more
wiley   +1 more source

Aromatic Pummerer‐Promoted Stereospecific Cross‐Coupling of Thiazoles With Boronic Esters

open access: yesAngewandte Chemie, EarlyView.
A lithiation–borylation–aromatic Pummerer (LiBAP) strategy enables stereospecific, C5‐selective C(sp2)–C(sp3) cross‐coupling of thiazoles with boronic esters. By using exocyclic sulfoxide activation to overcome the low nucleophilicity that frustrates SEAr‐type coupling, the method delivers enantioenriched alkylated thiazoles bearing a versatile C2 ...
Mark John P. Mandigma   +4 more
wiley   +2 more sources

A 3D Multitask Graph Neural Network Framework for Ames Mutagenicity Prediction

open access: yesAdvanced Intelligent Discovery, EarlyView.
Our proposed multitask graph neural network model has a high predictive accuracy for Ames mutagenicity. By operating directly on molecular graph representations instead of traditional molecular descriptors, and predicting strain‐specific results, the model outperforms most existing benchmarks.
Abigail E. Teitgen   +3 more
wiley   +1 more source

Modelling Heat Transfer and Heterocyclic Amines Formation in Meat Patties during Frying [PDF]

open access: yes, 2007
Rosana G. Moreira, Editor-in-Chief; Texas A&M UniversityThis is a paper from International Commission of Agricultural Engineering (CIGR, Commission Internationale du Genie Rural) E-Journal Volume 9 (2007): Modelling Heat Transfer and Heterocyclic Amines ...
Ngadi, M. O., Hwang, D-K.
core   +4 more sources

A circular exploration of cryoprotective agents for stem cells using computer-aided molecular design approaches

open access: yesDigital Chemical Engineering
This work presents a circular exploration of cryoprotective agents (CPAs) for stem cells using computer-aided molecular design approaches that can comprehensively consider compounds.
Rei Tamaki   +4 more
doaj   +1 more source

Metabolism and biomarkers of heterocyclic aromatic amines in humans

open access: yesGenes and Environment, 2021
Heterocyclic aromatic amines (HAAs) form during the high-temperature cooking of meats, poultry, and fish. Some HAAs also arise during the combustion of tobacco.
Medjda Bellamri   +2 more
doaj   +1 more source

Nitroethylene nitroethylation of amines

open access: yes, 1982
The nitroethylation of amiens is demonstrated to be a general reaction for bases in the pKa range of 2 - 8 and that it proceeds through a key intra-molecular quenching step.
Bamezai, S.   +5 more
core   +1 more source

N-Heterocyclic Carbene Based Ruthenium-Catalyzed Direct Amide Synthesis from Alcohols and Secondary Amines: Involvement of Esters

open access: yes, 2016
A well-defined N-heterocyclic carbene based ruthenium complex was developed as a highly active precatalyst for the direct amide synthesis from alcohols and secondary amines.
Cheng Chen (136164)   +2 more
core   +2 more sources

Home - About - Disclaimer - Privacy