Persistence of transition state structure in chemical reactions driven by fields oscillating in time [PDF]
, 2014 Chemical reactions subjected to time-varying external forces cannot generally be described through a fixed bottleneck near the transition state barrier or dividing surface.
Bartsch, Thomas +2 more
core +2 more sources
Optimizing Chemical Reactions with Deep Reinforcement Learning
ACS Central Science, 2017 Deep reinforcement learning was employed to optimize chemical reactions. Our model iteratively records the results of a chemical reaction and chooses new experimental conditions to improve the reaction outcome.
Zhenpeng Zhou, Xiaocheng Li, R. Zare
semanticscholar +1 more source
The Caenorhabditis elegans DPF‐3 and human DPP4 have tripeptidyl peptidase activity
FEBS Letters, EarlyView.The dipeptidyl peptidase IV (DPPIV) family comprises serine proteases classically defined by their ability to remove dipeptides from the N‐termini of substrates, a feature that gave the family its name. Here, we report the discovery of a previously unrecognized tripeptidyl peptidase activity in DPPIV family members from two different species.
Aditya Trivedi, Rajani Kanth Gudipati
wiley +1 more source
Crystal structure of 2,6-diiodo-8-(3-iodophenyl)-phenyl-BODIPY, C19H16BF2I3N2
Zeitschrift für Kristallographie - New Crystal Structures, 2013 C19H16BF2I3N2, triclinic, P1̄ (no. 2), a = 10.163(1) Å, b = 10.682(1) Å, c = 11.592(1) Å, α = 63.658(1)°, β = 79.529(3)°, γ = 72.106(2)°, V = 1071.6 Å3, Z = 2, Rgt(F) = 0.0306, wRref(F2) = 0.0721, T = 296 K.
Li Xiaochuan +4 more
doaj +1 more source
The importance of reaction energy in predicting chemical reaction barriers with machine learning models [PDF]
, 2023 Nithin Lalith +2 more
openalex +1 more source
Molecular bases of circadian magnesium rhythms across eukaryotes
FEBS Letters, EarlyView.Circadian rhythms in intracellular [Mg2+] exist across eukaryotic kingdoms. Central roles for Mg2+ in metabolism suggest that Mg2+ rhythms could regulate daily cellular energy and metabolism. In this Perspective paper, we propose that ancestral prokaryotic transport proteins could be responsible for mediating Mg2+ rhythms and posit a feedback model ...
Helen K. Feord, Gerben van Ooijen
wiley +1 more source
Green Energy & Environment, 2020 Supercapacitors with unique performance have been widely utilized in many fields. Herein, we report a nitrogen and sulfur co-doped graphene aerogel (N/S-GA-2) prepared using a low toxic precursor for high-performance supercapacitors.
Zhiwei Lu +5 more
doaj +1 more source
Controlling hot electron flux and catalytic selectivity with nanoscale metal-oxide interfaces
Nature Communications, 2021 Chemical interaction between metal and oxide supports is an important molecular-level factor that influences the catalytic selectivity of a desirable reaction.
Si Woo Lee +7 more
doaj +1 more source
Predicting rare events in chemical reactions: application to skin cell proliferation
, 2010 In a well-stirred system undergoing chemical reactions, fluctuations in the reaction propensities are approximately captured by the corresponding chemical Langevin equation.
A. Altland +4 more
core +1 more source
Peptide‐based ligand antagonists block a Vibrio cholerae adhesin
FEBS Letters, EarlyView.The structure of a peptide‐binding domain of the Vibrio cholerae adhesin FrhA was solved by X‐ray crystallography, revealing how the inhibitory peptide AGYTD binds tightly at its Ca2+‐coordinated pocket. Structure‐guided design incorporating D‐amino acids enhanced binding affinity, providing a foundation for developing anti‐adhesion therapeutics ...
Mingyu Wang +9 more
wiley +1 more source