Results 221 to 230 of about 129,978 (318)

Modeling Extreme Rapid Thermal Processing in Chemical Vapor Deposition Reactors for Catalytic Growth of Carbon Nanotubes. [PDF]

Ind Eng Chem Res
Aurenzi J, Abdulhafez M, Najaf Tomaraei G, Sammak S, Bedewy M.   +4 more
europepmc   +1 more source

Molecular mobility with respect to accessible volume in Monte Carlo lattice model for polymers

, 2016
Julie Diani, Pierre Gilormini
openalex   +2 more sources

Nonlinear Active Site Dynamic Behavior Over In Situ Generated Working Zeolites

Chemie Ingenieur Technik, EarlyView.
The methoxymethyl mechanism over α, β, and γ site ensembles and the dynamic site‐interconversion mechanism reduce the induction period of propylene formation. The methoxymethyl mechanism acts on site ensemble α generating surface methoxy species (SMS), which, through the dynamic site‐interconversion mechanism, lead to SMS on site ensembles β and γ that
Toyin Omojola
wiley   +1 more source

Intelligent prediction of heat capacity of polyethylene glycol polymer. [PDF]

Sci Rep
Al-Nabulsi JI, Alsalami ZA, Deepak J, Mgm J, Routray A, Karthikeyan A, Gill HS, Bisht YS, Abumalek A.   +8 more
europepmc   +1 more source

Learning hydrocracking reaction dynamics via neural ODEs: A data‐driven, gradient‐interpretable lumped modelling framework

The Canadian Journal of Chemical Engineering, EarlyView.
This work demonstrates the application of neural ordinary differential equations (neural ODEs) for learning hydrocracking reaction kinetics directly from data, achieving robust predictions under noise and sparsity while preserving mechanistic interpretability through gradient‐based analysis of temperature‐ and concentration‐dependent reaction rates ...
Souvik Ta, Lakshminarayanan Samavedham, Ajay K. Ray   +2 more
wiley   +1 more source

Early‐Life Clinical Factors Shape Cerebellar Structure in Preterm‐Born Children

Annals of the Child Neurology Society, EarlyView.
ABSTRACT Objective Preterm birth alters typical brain development due to complex exposures related to neonatal illness, pain management, and brain injury. Despite an increased understanding of neonatal brain injury on developmental outcomes, the association of cerebellar maturation with school‐age motor and cognitive function remains incompletely ...
Victoria Rapos, Steven Ufkes, Cecil Chau, Jessie van Dyk, Ting Guo, Ruth E. Grunau, Steven P. Miller   +6 more
wiley   +1 more source

Molecular Simulations of Energy Materials. [PDF]

Molecules
Chihaia V, Sutmann G.
europepmc   +1 more source

When Dihedral Angles Mask Denticity in Molecular Conductance

ChemPhysChem, EarlyView.
This study tests whether higher molecule–electrode denticity increases conductance in single‐molecule junctions. Using nonequilibrium Green's function technique in conjunction with density functional theory simulations and mechanically controlled break‐junction experiments on a tetradentate N‐heterohexacene, it is found that conductance depends mainly ...
Kevin Batzinger, Dylan Dyer, M. D. Hashan C. Peiris, Tarek H. El‐Assaad, Rashmi Yohani Amarakoon Arachchige, Sam LaMotte, Dominic V. McGrath, Oliver L.A. Monti, Manuel Smeu   +8 more
wiley   +1 more source

Hybrid sampling chemometric strategy for accurate and sustainable quantification of co-administered β-lactam antibiotics. [PDF]

BMC Chem
Soliman SS, Rahman MAA.
europepmc   +1 more source

Population Pharmacokinetics and Exposure–Response Analyses of Momelotinib, Its Active Metabolite (M21), and Total Active Moiety in Myelofibrosis

Clinical Pharmacology &Therapeutics, EarlyView.
Momelotinib, a Janus kinase (JAK) 1/JAK2/activin A receptor type 1 inhibitor, is approved for the treatment of myelofibrosis with anemia. These analyses characterized the population pharmacokinetics of momelotinib and its active metabolite M21 following administration of the commercial tablet formulation in patients with myelofibrosis from phase II/III
Benjamin Rich, Meenakshi Srinivasan, Yu Liu Ho, Sandra A.G. Visser, Geraldine Ferron‐Brady, Georgios Vlasakakis   +5 more
wiley   +1 more source