Results 111 to 120 of about 1,051,029 (290)
, 2013 International audienceIn this paper, we introduce new local descriptors in the framework of Conceptual Density Functional Theory. They can be considered as an extension of the dual descriptor [Morell et al., J. Phys. Chem. A, 2005, 109, 205].
Ayers, Paul W. +4 more
core +1 more source
DNA ligase LigE increases bacterial transformation with damaged extracellular DNA
FEBS Letters, EarlyView.The DNA ligase LigE from the naturally competent Gram‐negative bacterium Neisseria gonorrhoaea increases transformation with cut extracellular DNA. This process is ATP‐dependent and relies on the catalytic activity of LigE; it also requires that LigE contains an intact periplasmic localisation sequence, indicating that ligE functions in the periplasm ...
Jolyn Pan +4 more
wiley +1 more source
A low-field NMR framework for monitoring solid-liquid separation of digestate
Chemical Engineering Journal AdvancesMechanical dewatering of anaerobic digestate is commonly limited by variable feed composition, empirical flocculant dosing, and the lack of rapid indicators linking flocculated-feed structure to downstream cake formation.
Emanuel G. Bertizzolo +5 more
doaj +1 more source
Journal of Chemistry, 2018 This study evaluated a fixed long-range corrected range-separated hybrid (RSH) density functional associated with the Def2TZVP basis set alongside the SMD solvation model for the computation of the structure, molecular properties, and chemical reactivity
Juan Frau, Daniel Glossman-Mitnik
doaj +1 more source
Heliyon, 2019 A methodology based on the concepts that arise from Density Functional Theory (CDFT) was chosen for the calculation of the global and local reactivity descriptors of the Phallotoxin family of fungal peptides. The determination of the active sites for the
Norma Flores-Holguín +2 more
doaj +1 more source
Robust controllability for linear uncertain descriptor systems
, 2006 In this paper, under assumptions that the linear nominal descriptor system is regular and controllable, some sufficient conditions are proposed to preserve the assumed properties when both structured (elemental) and unstructured (norm-bounded) parameter ...
Chou, Jyh-Horng +2 more
core +1 more source
Unlocking the potential of cell‐permeable nanobodies for intracellular applications
FEBS Letters, EarlyView.This review outlines current strategies for delivery of nanobodies into cells and highlights recent examples of functional applications. By addressing and manipulating intracellular targets, these molecules hold great potential for treating cancer, respiratory diseases and neurological disorders, making this a vibrant area of research in the biomedical
Mariona Gené‐Verdés +2 more
wiley +1 more source
Values of the Fukui functions and Dual descriptor of selected potential target compounds (V-XI) using wb97xd/6-311++g(d,p) level of theory.
Hadia Almahli (8099222) +9 more
core +1 more source
Comparing the paths of Hedgehog release in artificial and natural settings
FEBS Letters, EarlyView.Hh morphogens require solubilization factors to overcome their tight association with the plasma membrane and signal to distant cells, but the precise functions of these factors are controversial. Here, we use published in vivo observations as the most relevant evidence to test their suggested functions and discuss contradictions and gaps between in ...
Janna Puschmann, Kay Grobe
wiley +1 more source
Journal of MateriomicsOrganic solvent additives are widely employed in aqueous zinc-ion batteries (AZIBs) to achieve high coulombic efficiency (CE), regulate oriented zinc deposition, and stabilize interfacial chemistry.
Zixuan Ju +5 more
doaj +1 more source