Results 121 to 130 of about 13,758 (245)

Propriedades relacionadas à acidez e basicidade a partir da abordagem em química computacional

Química Nova, 2014
Analytical Chemistry books lack a clear link between thermodynamic and equilibrium approaches involving acids and bases. In this work, theoretical calculations were performed to search for these relations.
Sérgio R. B. Silva, Caio L. Firme, Kássio M. G. Lima   +2 more
doaj   +1 more source

Tracing Ultrafast Photo-Dissociation Pathways in Phenol: Transient X-ray Absorption Signatures

The photo-induced dissociation dynamics of phenol have attracted long interest of researchers, as this is fundamental for understanding the non-radiative decay mechanisms of bio-molecules with more complex substitutions at the aromatic ring.
Sheng-Yu, Wang, Guoyan, Ge, Weijie, Hua
core   +1 more source

Structural Insights of Four Thermal Dissolution Products of a Lignite by Using In-Source Collision-Activated Dissociation Mass Spectrometry

, 2018
Structural Insights of Four Thermal Dissolution Products of a Lignite by using In-Source Collision-Activated Dissociation Mass Spectrometry
Xueming, Dong, Xiao-Yun, Zhang, Aisha, Nulahong, Yun-Peng, Zhao, Xing, Fan, Jun-Jie, Liao, Xian-Yong, Wei, Feng-Yun, Ma   +7 more
core   +1 more source

Mass spectrometry based identification of AMP‐O‐Tris generated by Thermococcus onnurineus Cas10

FEBS Open Bio, EarlyView.
Isolated Thermococcus onnurineus Cas10 generates the noncanonical ATP‐derived product AMP‐O‐Tris while in Tris‐containing buffer as identified via mass spectrometry, revealing relaxed nucleophile selectivity under isolated conditions. These findings suggest that multiprotein Csm complex assembly restricts Cas10 reactivity toward canonical cyclic ...
Su‐Jin Lee, Ga Seul Lee, JinHan Kim, Kwang‐Hyun Park, Seong‐Ryung Go, Jeong Hee Moon, Eui‐Jeon Woo   +6 more
wiley   +1 more source

Low-energy proton impact dynamics on hydrocarbons: Dependence on kinetic energy and incident site [PDF]

AIP Advances
The dynamics of low-energy proton collisions with hydrocarbon molecules are investigated using real-time time-dependent density functional theory.
Misa Viveiros, Roy Lau, Samuel S. Taylor, Patrick Barron, Attila Czirják, Cody Covington, Kálmán Varga   +6 more
doaj   +1 more source

Polarized local excitons assist charge dissociation in Y6-based nonfullerene organic solar cells: a nonadiabatic molecular dynamics study

Y6-based nonfullerene organic solar cells (OSCs) have achieved an outstanding power conversion efficiency (PCE) of over 19% due to the low energy loss and high exciton dissociation efficiency with a small energy offset.
Bin, Liu, Junzhi, Liu, Philip, Chow, Ding, Pan   +3 more
core   +1 more source

A study of the dissociative recombination of CaO⁺ with electrons: Implications for Ca chemistry in the upper atmosphere

Geophysical Research Letters, 2016
AbstractThe dissociative recombination of CaO+ ions with electrons has been studied in a flowing afterglow reactor. CaO+ was generated by the pulsed laser ablation of a Ca target, followed by entrainment in an Ar+ ion/electron plasma. A kinetic model describing the gas‐phase chemistry and diffusion to the reactor walls was fitted to the experimental ...
Bones, DL, Gerding, M, Höffner, J, Gomez Martin, JC, Plane, JMC   +4 more
openaire   +3 more sources

Long‐term hippocampal alterations and cognitive impairment in a murine model of surgical sepsis

FEBS Open Bio, EarlyView.
Using a mouse model of surgical sepsis, we tested long‐term memory and analyzed the transcriptome of single cells isolated from the hippocampus. Survivor mice showed worse memory, loss of certain brain cell subpopulations, and abnormal immune cell activity—suggesting that post‐sepsis brain alterations may be linked to cognitive deficits.
Dong Seong Cho, Rebecca Schmitt, Aneesha Dasgupta, Alexandra Ducharme, Jason Doles   +4 more
wiley   +1 more source

Internal Fragments Generated by Electron Ionization Dissociation Enhances Protein Top-down Mass Spectrometry

, 2020
Top-down proteomics by mass spectrometry (MS) involves the mass measurement of an intact protein followed by subsequent activation of the protein to generate product ions.
Muhammad, Zenaidee, Rachel, R. Ogorzalek Loo, Carter, Lantz, Taylor, Perkins, Wonhyuek, Jung, Janine, Fu, Joseph A., Loo   +6 more
core   +1 more source

Detection of interstellar SO(+) - A diagnostic of dissociative shock chemistry

The Astrophysical Journal, 1992
SO + , predicted to form efficiently by dissociative shocks (Neufeld & Dalgarno, 1989, ApJ, 340), has been detected in the shocked molecular clump IC 443G, by means of four transitions at 3 and 1.3 mm wavelength. Its large line width establishes its formation by shocks, and the physical conditions derived from statistical equilibrium calculations match
openaire   +1 more source