Results 81 to 90 of about 238,043 (424)
Equilibrium Bond Lengths from Orbital-Free Density Functional Theory
Molecules, 2020 This work presents an investigation to model chemical bonding in various dimers based on the atomic fragment approach. The atomic fragment approach is an ab-initio, parameter-free implementation of orbital-free density functional theory which is based on
Kati Finzel
doaj +1 more source
Terzyme: a tool for identification and analysis of the plant terpenome. [PDF]
, 2018 BACKGROUND: Terpenoid hydrocarbons represent the largest and most ancient group of phytochemicals, such that the entire chemical library of a plant is often referred to as its 'terpenome'.
core +3 more sources
CoP Nanoframes as Bifunctional Electrocatalysts for Efficient Overall Water Splitting
, 2020 Transition-metal phosphides have been shown to be promising electrocatalysts in water for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER).
Lvlv Ji +4 more
semanticscholar +1 more source
Making Photoresponsive Metal–Organic Frameworks an Effective Class of Heterogeneous Photocatalyst
Advanced Functional Materials, EarlyView.This review summarizes photoresponsive MOFs for photocatalytic applications, focusing on their capacity to enhance light harvesting, charge transfer, and surface reactions. While existing studies provide foundational insights, emerging characterization techniques enable a deeper understanding of photoresponsive MOFs.
Rui Liu +3 more
wiley +1 more source
Nanowrinkled Carbon Aerogels Embedded with FeN x Sites as Effective Oxygen Electrodes for Rechargeable Zinc-Air Battery. [PDF]
, 2019 Rational design of single-metal atom sites in carbon substrates by a flexible strategy is highly desired for the preparation of high-performance catalysts for metal-air batteries.
Chen, Alan P +15 more
core +1 more source
Bifunctional transfer-messenger RNA [PDF]
Biochimie, 2011 Transfer-messenger RNA (tmRNA) is a bifunctional RNA that has properties of a tRNA and an mRNA. tmRNA uses these two functions to release ribosomes stalled during translation and target the nascent polypeptides for degradation. This concerted reaction, known as trans-translation, contributes to translational quality control and regulation of gene ...
Kenneth C. Keiler, Nitya S. Ramadoss
openaire +3 more sources
Bioorthogonal Engineering of Cellular Microenvironments Using Isonitrile Ligations
Advanced Functional Materials, EarlyView.Highly selective chemistries are required for fabrication and post‐cross–linking modification of cell‐encapsulating hydrogels used in tissue engineering applications. Isonitrile ligation reactions represent a promising class of bioorthogonal chemistries for engineering hydrogel‐based cellular microenvironments. Isonitrile‐based hydrogels are stable and
Ping Zhou +2 more
wiley +1 more source
Randomized dose-finding study of batefenterol via dry powder inhaler in patients with COPD
International Journal of COPD, 2019 Courtney Crim,1 Michael L Watkins,1 Eric D Bateman,2 Gregory J Feldman,3 Isabelle Schenkenberger,4 Edward M Kerwin,5 Catriona Crawford,6 Krishna Pudi,7 Shuyen Ho,8 Charlotte Baidoo,9 Ramiro Castro-Santamaria10 1GSK, Research and Development, Research ...
Crim C +10 more
doaj
ChemosensorsIn this research we have synthesized and evaluated five calix[4]arene-based receptors functionalized with thiosemicarbazone or thiourea groups, incorporating pyridinyl naphthalene or triazolopyridine chromophores in 1,3-alternate, pinched cone and cone ...
Andrés Ochoa +4 more
doaj +1 more source
Towards a Compositional Framework for Convex Analysis (with Applications to Probability Theory) [PDF]
arXiv, 2023 We introduce a compositional framework for convex analysis based on the notion of convex bifunction of Rockafellar. This framework is well-suited to graphical reasoning, and exhibits rich dualities such as the Legendre-Fenchel transform, while generalizing formalisms like graphical linear algebra, convex relations and convex programming. We connect our
arxiv