Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/cr100436k | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Transformation of polycyclic aromatic hydrocarbons during frying stinky tofu.
Food Chem
January 2025
Department of Food Science and Technology, School of Agriculture and Biology, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China. Electronic address:
Reductions in polycyclic aromatic hydrocarbon (PAH) concentrations have been observed during frying. However, transformation mechanisms of PAHs remain unclear. We hypothesize that PAHs may be oxidized into oxygenated polycyclic aromatic hydrocarbons (OPAHs) and other derivatives during frying.
View Article and Find Full Text PDFTrophic transfer of carbon-14 from algae to zebrafish leads to its blending in biomolecules and the dysregulation of metabolism via isotope effect.
Natl Sci Rev
January 2025
State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Chemistry and Biomedicine Innovation Center, Nanjing University, Nanjing 210023, China.
Carbon-14 (C-14) has been a major contributor to the human radioactive exposure dose, as it is released into the environment from the nuclear industry in larger quantities compared to other radionuclides. This most abundant nuclide enters the biosphere as organically bound C-14 (OBC-14), posing a potential threat to public health. Yet, it remains unknown how this relatively low radiotoxic nuclide induces health risks via chemical effects, such as isotope effect.
View Article and Find Full Text PDFDeciphering the Role of Second Metal in M-Ni (M = Fe, Ni, and Mn) Heterobimetallic Electrocatalysts in Controlling the HAT versus Hydride Transfer Mechanism for the Dehydrogenation of Alcohols.
Small
January 2025
Department of Chemistry, IIT Gandhinagar, Palaj, Gujarat, 382355, India.
The second 3d-transition metal incorporation in Ni-(oxy)hydroxide has a drastic effect on alkaline OER and alcohol dehydrogenation reactivity. While Mn incorporation suppresses the alkaline OER, it greatly improves the alcohol dehydrogenation reactivity. A complete reversal of reactivity is obtained when Fe is incorporated, which shows better performance for alkaline OER with poor alcohol dehydrogenation reactivity.
View Article and Find Full Text PDFMuon spectroscopy of a 12-phosphatetraphene with extremely efficient radical trapping properties.
Sci Rep
January 2025
Centre for Molecular and Materials Science, TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3, Canada.
This paper describes muon spin spectroscopy studies of 12-phosphatetraphene stabilized by a peri-trifluoromethyl group and a meso-aryl substituent. Even though the prepared solution in tetrahydrofuran (THF) was quite dilute (0.060 M) for transverse-field muon spin rotation (TF-µSR) measurements, the π-extended heavier congener of tetraphene presented a pair of signals due to a muoniated radical from which the muon hyperfine coupling constant (hfc) was determined.
View Article and Find Full Text PDFConstrained Nuclear-Electronic Orbital Transition State Theory Using Energy Surfaces with Nuclear Quantum Effects.
J Chem Theory Comput
January 2025
Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States.
Hydrogen-atom transfer is crucial in a myriad of chemical and biological processes, yet the accurate and efficient description of hydrogen-atom transfer reactions and kinetic isotope effects remains challenging due to significant quantum effects on hydrogenic motion, especially tunneling and zero-point energy. In this paper, we combine transition state theory (TST) with the recently developed constrained nuclear-electronic orbital (CNEO) theory to propose a new transition state theory denoted CNEO-TST. We use CNEO-TST with CNEO density functional theory (CNEO-DFT) to predict reaction rate constants for two prototypical gas-phase hydrogen-atom transfer reactions and their deuterated isotopologic reactions.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!