Results 71 to 80 of about 48,553 (267)

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

Advanced 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, Barbaro Zulueta, Hannah Zucco, Ramakrishna Suresh, Jason E. Shoemaker, Michael Call, Daylan Sheppard, Glenn Cormack, John A. Keith, Götz Veser   +9 more
wiley   +1 more source

Diisocyanates influence models of atopic dermatitis through direct activation of TRPA1.

PLoS ONE, 2023
We recently used EPA databases to identify that isocyanates, most notably toluene diisocyanate (TDI), were the pollutant class with the strongest spatiotemporal and epidemiologic association with atopic dermatitis (AD).
Manoj Yadav, Prem Prashant Chaudhary, Brandon N D'Souza, Grace Ratley, Jacquelyn Spathies, Sundar Ganesan, Jordan Zeldin, Ian A Myles   +7 more
doaj   +1 more source

Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C–C Activation/Cycloaddition between Isatins and Isocyanates

ACS Catalysis, 2015
The first decarbonylative cycloaddition of less-strained cyclic ketones (isatins) with isocyanates is reported. Initiated by C–C activation, this distinct [5−2+2] transformation provides a rapid entry to access various benzimidazolidinone derivatives ...
Rong Zeng, Peng-hao Chen, G. Dong
semanticscholar   +1 more source

The reaction of isocyanates and isocyanates with bisulphite salts

, 1976
Organic isocyanates and isothiocyanates readily add bisulphite to form N-substituted aminooxomethanesulphonic acid salts (2), and the thioxo analogues respectively.
A Kirkpatrick, JA Maclaren, JR Dalton
core   +1 more source

Isocyanates - assessment of human exposure

, 1996
Isocyanates are used mainly for manufacturing of polyurethane (PUR) foams, lacquers, elastomers and glues. The production of PUR exceeds 2 million tonnes per year and is increasing.
Tinnerberg, Håkan,, Lund University.
core   +1 more source

Preparation of amphiphilic sucrose carbamates by reaction with alkyl isocyanates in water-alcohol mixtures.

, 2004
The reactivity of sucrose with isocyanates in aqueous media has been studied. Mixtures of water and alcohols allow good conversion of the isocyanates to sucrose carbamates.
Christian, Delphine, Queneau, Yves, Bouchu, Alain, Fitremann, Juliette   +3 more
core   +1 more source

Palladium-Catalyzed Amide Formation via Masked Isocyanates [PDF]

, 2020
Amides are one of the most common functional groups in biological systems and in bioactive molecules. Arguably the most direct way to form amides is via the condensation of an amine onto a carboxylic acid. This reaction is notoriously difficult and has
Brzezinski, David
core   +1 more source

Occupational Risk Exposure in Automotive Coatings Small and Medium Enterprises: Environmental Controls in the EU and USA Context

Trends in Ecological and Indoor Environmental Engineering
Background: Occupational exposure in automotive coatings manufacturing remains a major industrial health concern due to volatile organic compounds (VOCs), isocyanates, and mixed solvent aerosols generated during spraying, mixing, curing, and cleaning ...
Sergij Vambol, Oleksandr Nesterenko
doaj   +1 more source

Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P–” anion sources

Chemical Science, 2015
Na(OCP) initiates the catalytic cyclo-trimerization of isocyanates involving the mutual formation of P-heterocycles and spiro phosphoranides (shown on the right) as reactive intermediates.
Dominikus Heift, Z. Benkő, H. Grützmacher, A. Jupp, J. Goicoechea   +4 more
semanticscholar   +1 more source

Two routes to [11C-carbonyl]organo-isocyanates utilizing [11C]phosgene ([11C]organo-isocyanates from [11C]phosgene)

, 2001
Two generic radiosynthetic routes for the preparation of [11C-carbonyl]isocyanates have been developed. Reaction of N-organo-sulfinylamines; RNSO, (R = Me, Et, allyl, cyclohexyl and phenyl) with [11C]phosgene gave the corresponding [11C-carbonyl ...
Brown, G. D., Frank Brady, David Henderson, Patricia M. Price, Henderson, D., Luthra, S., Price, P. M., Steel, C., Gavin D. Brown, Brady, F., Colin Steel, Sajinder Luthra   +11 more
core   +1 more source