Results 301 to 310 of about 670,234 (354)
Applications of QSPR and Machine Learning in Molecular Photonics
Quantitative structureproperty relationships (QSPR) and machine learning (ML) are transforming photochemistry by enabling pre‐synthetic screening of photoactive molecules. This review outlines advances in data‐driven discovery of optical materials and functional dyes, identifies effective descriptors and models for photophysical processes, and provides
Andrey A. Buglak +2 more
wiley +1 more source
Characterization of the aromatic profile of Ruché wine from Piedmont (Italy) with gas chromatography-mass spectrometry and unsupervised machine learning techniques. [PDF]
Orecchio C +6 more
europepmc +1 more source
In this article, pulsed laser diffusion enhancement in liquids as an analytically validated laser extraction in liquids method of coffee suspensions in a defined low fluence window is presented. The results confirm the generation of a unique aroma profile and reduced acidity, which is neither attributed to changes in the specific surface area nor ...
Tina Friedenauer +15 more
wiley +1 more source
Gas Chromatography/Mass Spectrometry Chemical Profiling of Volatile Compounds from Cranberry Plant Byproducts as Potential Antibacterials, Antifungals, and Antioxidants. [PDF]
Aborah M, Scarano F, Neto C.
europepmc +1 more source
In the presence of a Pd0 catalyst, large π‐extended arynes trimerize in an unusual manner to forge extremely compact and strained chiral benzenoids. This new trimerization reaction involves a 1,7‐Pd isomerization, a rare and poorly understood process that is elucidated.
Albert Artigas +6 more
wiley +1 more source
Rapid and Simple Dispersive Liquid-Liquid Microextraction (DLLME) Sample Preparation for Propofol Analysis in Hair, Blood, and Urine by Gas Chromatography-Mass Spectrometry. [PDF]
Odoardi S +4 more
europepmc +1 more source
A dual photocatalytic system of o‐PQ and Sn(OTf)2 enables visible light‐induced Mannich‐type addition of ethers to nitrones via Csp³–H activation. This oxidant‐free method offers broad scope and good yields. Mechanistic studies suggest that a photoexcited o‐PQ–Sn(II) complex mediates hydrogen atom transfer to form α‐oxy radicals for nitrone addition. A
Pradip Ramdas Thorve +2 more
wiley +1 more source
A nickel catalyzed electrochemical cross‐electrophile coupling approach for the base‐free synthesis of (un)symmetric (hetero)aryl and alkyl sulfides from organic halides and disulfides is described. The reaction is broadly applicable and tolerates water and air atmosphere. A formal cross‐electrophile coupling approach enables the base‐free synthesis of
Jona Queder, Gerhard Hilt
wiley +1 more source

