Direct photocatalyzed hydrogen atom transfer (HAT) for aliphatic C–H bonds elaboration

L Capaldo, D Ravelli, M Fagnoni - Chemical Reviews, 2021 - ACS Publications
Direct photocatalyzed hydrogen atom transfer (d-HAT) can be considered a method of
choice for the elaboration of aliphatic C–H bonds. In this manifold, a photocatalyst (PCHAT) …

Tuning of the thermochemical and kinetic properties of ascorbate by its local environment: solution chemistry and biochemical implications

JJ Warren, JM Mayer - Journal of the American Chemical Society, 2010 - ACS Publications
Ascorbate (vitamin C) is a ubiquitous biological cofactor. While its aqueous solution
chemistry has long been studied, many in vivo reactions of ascorbate occur in enzyme active …

Modeling the kinetics and mechanisms of petroleum and natural gas generation: a first principles approach

Y Xiao - Reviews in Mineralogy and Geochemistry, 2001 - pubs.geoscienceworld.org
The last twenty years have seen great advances in the understanding of petroleum and
natural gas resulting from the application of new technologies, in particular highresolution …

Laminar flame speeds, counterflow ignition, and kinetic modeling of the butene isomers

P Zhao, W Yuan, H Sun, Y Li, AP Kelley… - Proceedings of the …, 2015 - Elsevier
Laminar flame speeds and ignition temperatures of nonpremixed counterflow were
measured experimentally for the butene isomers at normal and elevated pressures. Results …

On the formation and isomer specific detection of propenal (C2H3CHO) and cyclopropanone (c-C3H4O) in interstellar model ices—a combined FTIR and reflectron …

MJ Abplanalp, A Borsuk, BM Jones… - The Astrophysical …, 2015 - iopscience.iop.org
The formation routes of two structural isomers—propenal (C 2 H 3 CHO) and
cyclopropanone (cC 3 H 4 O)—were investigated experimentally by exposing ices of …

Kinetic Analysis for HO2 Addition to Ethylene, Propene, and Isobutene, and Thermochemical Parameters of Alkyl Hydroperoxides and Hydroperoxide Alkyl Radicals

CJ Chen, JW Bozzelli - The Journal of Physical Chemistry A, 2000 - ACS Publications
Thermochemical kinetic analysis for the reactions of HO2 radical addition to the primary,
secondary, and tertiary carbon− carbon double bonds of ethylene, propene, and isobutene …

Experimental and Computational Thermochemical Study of Sulfur-Containing Amino Acids: l-Cysteine, l-Cystine, and l-Cysteine-Derived Radicals. S−S, S−H, and C …

MV Roux, C Foces-Foces, R Notario… - The Journal of …, 2010 - ACS Publications
This paper reports an experimental and theoretical study of the standard (p°= 0.1 MPa)
molar enthalpies of formation at T= 298.15 K of the sulfur-containing amino acids l-cysteine …

Purinyl N-directed aroylation of 6-arylpurine ribo-and 2′-deoxyribonucleosides, and mechanistic insights

MK Lakshman, CT Malinchak, N Shank… - Organic & …, 2024 - pubs.rsc.org
The purinyl ring contains four embedded nitrogen atoms of varying basicities. Selective
utilization of these ring nitrogen atoms can lead to relatively facile remote functionalization …

Thermodynamic and conformational study of proline stereoisomers

AFLOM Santos, R Notario… - The Journal of Physical …, 2014 - ACS Publications
Amino acids play fundamental roles both as building blocks of proteins and as intermediates
in metabolism. Proline, one of the 20 natural amino acids, has a primordial function in …

Theoretical studies on the unimolecular decomposition of ethylene glycol

L Ye, L Zhao, L Zhang, F Qi - The Journal of Physical Chemistry A, 2012 - ACS Publications
The unimolecular decomposition processes of ethylene glycol have been investigated with
the QCISD (T) method with geometries optimized at the B3LYP/6-311++ G (d, p) level …