Results 101 to 110 of about 14,001,607 (382)

Synthesis with Perfect Atom Economy: Generation of Furan Derivatives by 1,3-Dipolar Cycloaddition of Acetylenedicarboxylates at Cyclooctynes

Molecules, 2014
Cyclooctyne and cycloocten-5-yne undergo, at room temperature, a 1,3-dipolar cycloaddition with dialkyl acetylenedicarboxylates 1a,b to generate furan-derived short-lived intermediates 2, which can be trapped by two additional equivalents of 1a,b or ...
Klaus Banert, Sandra Bochmann, Andreas Ihle, Oliver Plefka, Florian Taubert, Tina Walther, Marcus Korb, Tobias Rüffer, Heinrich Lang   +8 more
doaj   +1 more source

Reaction Mechanisms for Long-Life Rechargeable Zn/MnO 2 Batteries [PDF]

, 2019
Rechargeable aqueous Zn-ion batteries (ZIBs) are very promising for large-scale grid energy storage applications owing to their low cost, environmentally benign constituents, excellent safety, and relatively high energy density.
Li, Y, Liu, B, Liu, J, Salvador, JR, Wang, S, Wu, J, Yang, J, Yang, J, Yang, W, Zhang, W   +9 more
core   +1 more source

Reaction Pathways Based on the Gradient of the Mean First-Passage Time

, 2002
Finding representative reaction pathways is necessary for understanding mechanisms of molecular processes, but is considered to be extremely challenging. We propose a new method to construct reaction paths based on mean first-passage times. This approach
Deyu Lu, Klaus Schulten, Melih K. Sener, Sanghyun Park, von Smoluchowski M.   +4 more
core   +1 more source

Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites

Nucleic Acids Res., 2017
M-CSA (Mechanism and Catalytic Site Atlas) is a database of enzyme active sites and reaction mechanisms that can be accessed at www.ebi.ac.uk/thornton-srv/m-csa.
António J. M. Ribeiro, Gemma L. Holliday, Nicholas Furnham, Jonathan D. Tyzack, Katherine Ferris, J. Thornton   +5 more
semanticscholar   +1 more source

The carboxylate “gripper” of the substrate is critical for C‐4 stereo‐inversion by UDP‐glucuronic acid 4‐epimerase

FEBS Letters, EarlyView.
UDP‐glucuronic acid 4‐epimerase (UGAepi) catalyzes NAD+‐dependent interconversion of UDP‐glucuronic acid (UDP‐GlcA) and UDP‐galacturonic acid (UDP‐GalA) via C4‐oxidation, 4‐keto‐intermediate rotation, and C4‐reduction. Here, Borg et al. examined the role of the substrate's carboxylate group in the enzymic mechanism by analyzing NADH‐dependent reduction
Annika J. E. Borg, Laura De Cnop, Bernd Nidetzky   +2 more
wiley   +1 more source

Compare and contrast the reaction coordinate diagrams for chemical reactions and cytoskeletal force generators. [PDF]

, 2013
Reaction coordinate diagrams are used to relate the free energy changes that occur during the progress of chemical processes to the rate and equilibrium constants of the process.
Scholey, Jonathan M
core   +2 more sources

A paramedic treatment for modeling explicitly solvated chemical reaction mechanisms

Chemical Science, 2018
A static QM procedure for modeling solvated reaction mechanisms is calibrated using the Morita–Baylis–Hillman reaction.
Yasemin Basdogan, J. Keith
semanticscholar   +1 more source

The thioredoxin‐like and one glutaredoxin domain are required to rescue the iron‐starvation phenotype of HeLa GLRX3 knock out cells

FEBS Letters, EarlyView.
Glutaredoxin (Grx) 3 proteins contain a thioredoxin domain and one to three class II Grx domains. These proteins play a crucial role in iron homeostasis in eukaryotic cells. In human Grx3, at least one of the two Grx domains, together with the thioredoxin domain, is essential for its function in iron metabolism.
Laura Magdalena Jordt, Manuela Gellert, Finja Zelms, Sander Bekeschus, Christopher Horst Lillig   +4 more
wiley   +1 more source

Elastic and inelastic scattering of 18O ions by 6Li at 114 MeV and isotopic differences of 6, 7Li + 18O and 6Li + 16, 18O nuclei interactions [PDF]

Ядерна фізика та енергетика, 2012
Angular distributions of the 6Li + 18O elastic and inelastic scattering as well as the 6Li(18O, Х) reactions with production of 16,17,19O + 8,7,5Li, 14,15,16,17N + 10,9,8,7Be and 12,13,14C + 12,11,10B nuclei were measured at Elab(18O) = = 114 MeV.
A. T. Rudchik, R. M. Zelinskyi, A. A. Rudchik, Val. M. Pirnak, S. Kliczewski, E. I. Koshchy, K. Rusek, V. A. Plujko, O. A. Ponkratenko, S. Yu. Mezhevych, A. P. Ilyin, V. V. Uleschenko, R. Siudak, J. Choiński, B. Czech, A. Szczurek   +15 more
doaj  

Theoretical Investigations on the Reactivity of Methylidyne Radical toward 2,3,7,8-Tetrachlorodibenzo-p-Dioxin: A DFT and Molecular Dynamics Study

Molecules, 2018
To explore the potential reactivity of the methylidyne radical (CH) toward 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), the reaction mechanism between them has been systematically investigated employing the density functional theory (DFT) and ab initio ...
Weihua Wang, Wenling Feng, Wenliang Wang, Ping Li   +3 more
doaj   +1 more source