Results 61 to 70 of about 10,839,747 (385)
New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation [PDF]
, 2016 Reliable quantum chemical methods for the description of molecules with dense-lying frontier orbitals are needed in the context of many chemical compounds and reactions.
Hedegård, Erik Donovan +7 more
core +3 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
Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions
FEBS Letters, EarlyView.We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva +10 more
wiley +1 more source
Zeitschrift für Kristallographie - New Crystal Structures, 2013 C13H14N2O4, orthorhombic, Pna21 (no. 33), a = 15.85(2) Å, b = 4.318(5) Å, c = 17.42(2) Å, V = 1191.9 Å3, Z = 4, Rgt(F) = 0.0823, wRref(F2) = 0.2340, T = 296 K.
Li Xiaochuan +3 more
doaj +1 more source
A development of an electrical analogue for thermal processing : a thesis presented in partial fulfillment of the requirements for the degree Master of Technology in Biochemistry at Massey University [PDF]
, 1973 A. THERMAL PROCESSING IN GENERAL Thermal processing implies application of thermal energy at suitable thermal potential, namely temperature to a reacting system.
Navankasattusas, Surapong
core
The Effect of an Inert Solid Reservoir on Molecular Abundances in Dense Interstellar Clouds
, 2012 The question, what is the role of freeze-out of chemical species in determining the molecular abundances in the interstellar gas is a matter of debate.
Kalvans, Juris, Shmeld, Ivar
core +1 more source
FEBS Letters, EarlyView.The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li +2 more
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
Cell wall target fragment discovery using a low‐cost, minimal fragment library
FEBS Letters, EarlyView.LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan +5 more
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