Results 51 to 60 of about 1,067,797 (298)
J, 2022 Principal component analysis (PCA) is used to reduce the dimensionalities of high-dimensional datasets in a variety of research areas. For example, biological macromolecules, such as proteins, exhibit many degrees of freedom, allowing them to adopt ...
Akio Kitao
doaj +1 more source
Changes in the structure of tethered chain molecules as predicted by density functional approach [PDF]
, 2011 We use a version of the density functional theory to study the changes in the height of the tethered layer of chains built of jointed spherical segments with the change of the length and surface density of chains.
Borówko, M. +3 more
core +4 more sources
Beilstein Journal of Organic Chemistry, 2012 By using ionic liquids as solvents, the chlorination or bromination of unprotected anilines at the para-position can be achieved in high yields with copper halides under mild conditions, without the need for potentially hazardous operations such as ...
Han Wang +8 more
doaj +1 more source
Pediatric Blood &Cancer, EarlyView.ABSTRACT Background and Aims Wilms tumour (WT) has excellent event‐free and overall survival (OS). However, small differences exist between countries participating in the same international study. This led us to examine variation in adherence to protocol recommendations as a potential contributing factor.
Suzanne Tugnait +23 more
wiley +1 more source
Pediatric Blood &Cancer, EarlyView.ABSTRACT Arteriovenous malformations (AVMs) are rare, high‐flow, vascular anomalies that can occur either sporadically or as part of a genetic syndrome. AVMs can progress with serious morbidity and even mortality if left unchecked. Sirolimus is an mTOR inhibitor that is effective in low‐flow vascular malformations; however, its role in AVMs is unclear.
Will Swansson +3 more
wiley +1 more source
Origin of the Captodative Effect: The Lone‐Pair Shielded Radical
ChemistryEurope, 2023 We have quantum chemically analyzed the origin of the captodative effect in the dimerization of para‐substituted phenyl dicyanomethyl radicals RPh(CN)2C⋅ in the gas phase and in solution.
Eva Blokker +4 more
doaj +1 more source
Molecular dynamics study of solvation effects on acid dissociation in aprotic media
, 1996 Acid ionization in aprotic media is studied using Molecular Dynamics techniques. In particular, models for HCl ionization in acetonitrile and dimethylsulfoxide are investigated.
Daniel Laria +6 more
core +1 more source
Pediatric Blood &Cancer, EarlyView.ABSTRACT Objective To evaluate the diagnostic yield and utility of universal paired tumor–normal multigene panel sequencing in newly diagnosed pediatric solid and central nervous system (CNS) tumor patients and to compare the detection of germline pathogenic/likely pathogenic variants (PV/LPVs) against established clinical referral criteria for cancer ...
Natalie Waligorski +9 more
wiley +1 more source
MoleculesCatalysts with anionic metal centers have recently been proposed to enhance the performance of various chemical processes. Here, we focus on the reactivity of Co(CO)4− for the polymerization of aziridine and carbon monoxide to form polypeptoids ...
Andrei Evdokimov, Evangelos Miliordos
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A Method of Calculating the Kamlet–Abboud–Taft Solvatochromic Parameters Using COSMO-RS
Molecules, 2019 There is demand for safer and bio-based solvents, brought on by legislation and sustainability objectives. The prediction of physical properties is highly desirable to help design new molecules.
James Sherwood +3 more
doaj +1 more source