Results 11 to 20 of about 1,577,920 (354)
Peptide Radical Cations: Gender Determines Dissociation Chemistry [PDF]
Mass Spectrometry, 2013 Peptide radicals play a significant role in biology as well as mass spectrometry. They can be differentiated into two groups: conventional hydrogen-deficient radicals, e.g. M(+•) as in electron ionization, and much more rare hydrogen-abundant radicals, e.g. [M+2H](+•), as in electron capture/transfer dissociation.
Roman A. Zubarev
semanticscholar +8 more sources
Electron Attachment to 5-Fluorouracil: The Role of Hydrogen Fluoride in Dissociation Chemistry [PDF]
International Journal of Molecular Sciences, 2022 We investigate dissociative electron attachment to 5-fluorouracil (5-FU) employing a crossed electron-molecular beam experiment and quantum chemical calculations. Upon the formation of the 5-FU− anion, 12 different fragmentation products are observed, the most probable dissociation channel being H loss.
Eugene Arthur‐Baidoo +5 more
europepmc +4 more sources
Dissociation Chemistry of Hydrogen-Deficient Radical Peptide Anions [PDF]
Journal of the American Society for Mass Spectrometry, 2011 The fragmentation chemistry of anionic deprotonated hydrogen-deficient radical peptides is investigated. Homolytic photodissociation of carbon-iodine bonds with 266 nm light is used to generate the radical species, which are subsequently subjected to collisional activation to induce further dissociation.
Benjamin Moore +6 more
semanticscholar +6 more sources
Chemistry in Quantum Cavities: Exact Results, the Impact of Thermal Velocities, and Modified Dissociation [PDF]
The Journal of Physical Chemistry Letters, 2020 In recent years tremendous progress in the field of light-matter interactions has unveiled that strong coupling to the modes of an optical cavity can alter chemistry even at room temperature. Despite these impressive advances, many fundamental questions of chemistry in cavities remain unanswered.
Dominik Sidler +3 more
semanticscholar +10 more sources
Computational chemistry considerations in catalysis: Regioselectivity and metal-ligand dissociation
Catalysis Today, 2020 Abstract The utility of a range of computational chemistry approaches for the prediction of the regioselectivity for hydroformylation processes and metal-ligand dissociation in a model organometallic system is considered to provide insight about computational strategies for use in catalysis.
Prajay Patel, Angela K. Wilson
openalex +4 more sources
Protonated α-N-Acetyl Galactose Glycopeptide Dissociation Chemistry
Journal of the American Society for Mass Spectrometry, 2022 We recently provided mass spectrometric, H/D labeling, and computational evidence of pyranose to furanose N-acetylated ion isomerization reactions that occurred prior to glycosidic bond cleavage in both O- and N-linked glycosylated amino acid model ...
Jordan M. Rabus +5 more
openalex +3 more sources
Frontiers in Marine Science, 2022 We investigated the pore fluid and methane-derived authigenic carbonate (MDAC) chemistry from the ARAON Mounds in the Chukchi Sea to reveal how methane (CH4) seepage impacts their compositional and isotopic properties.
Ji-Hoon Kim +15 more
doaj +1 more source
On basis set optimisation in quantum chemistry [PDF]
ESAIM: Proceedings and Surveys, 2023 In this article, we propose general criteria to construct optimal atomic centered basis sets in quantum chemistry. We focus in particular on two criteria, one based on the ground-state one-body density matrix of the system and the other based on the ...
Cancès Eric +3 more
doaj +1 more source
Migration of Salt Ions in Frozen Hydrate-Saturated Sediments: Temperature and Chemistry Constraints
Geosciences, 2022 Migration of dissolved salts from natural (cryopeg brines, seawater, etc.), or artificial sources can destabilize intrapermafrost gas hydrates. Salt transport patterns vary as a function of gas pressure, temperature, salinity, etc. The sensitivity of the
Evgeny Chuvilin +5 more
doaj +1 more source