Results 271 to 280 of about 2,020,295 (375)

Density Functional Theory of Electronic Structure

, 1996
W. Kohn, A. D. Becke, R. Parr
semanticscholar   +1 more source

Clinical Characteristics and Outcomes of Early‐Onset Versus Late‐Onset LGI1‐Antibody Encephalitis

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Background Leucine‐rich glioma‐inactivated 1 antibody (LGI1‐Ab) encephalitis predominantly affected older individuals, but has also been reported in younger patients. However, the demographic, clinical, and prognostic characteristics of early‐onset LGI1‐Ab encephalitis have yet to be systematically elucidated. This study aims to systematically
Yu Kong, Shasha Yu, Jing Zhang, Yu Zu, Yujing Zhang, Jing Lv, Xuyang Cao, Xuedan Feng   +7 more
wiley   +1 more source

The Buffering Activity of Ceria toward Reactive Oxygen Species: A Density Functional Theory Perspective. [PDF]

J Phys Chem C Nanomater Interfaces
Ta KM, Neal CJ, Coathup M, Seal S, Gillie LJ, Cooke DJ, Parker SC, Molinari M.   +7 more
europepmc   +1 more source

The MMP‐9/TIMP‐1 Ratio and Concentrations of Osteopontin Are Elevated in Cerebrospinal Fluid of People With Multiple Sclerosis and Decrease After Autologous Hematopoietic Stem Cell Transplantation

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objectives To evaluate the utility of cerebrospinal fluid (CSF) biomarkers—matrix metalloproteinase‐9 (MMP‐9), tissue inhibitor of metalloproteinases‐1 (TIMP‐1), the MMP‐9/TIMP‐1 ratio, and osteopontin (OPN)—as indicators of blood–brain barrier (BBB) integrity and disease activity in people with relapsing–remitting multiple sclerosis (pwMS ...
Ivan Pavlovic, Ida Erngren, Kim Kultima, Anders Larsson, Malin Müller, Anna Wiberg, Joachim Burman   +6 more
wiley   +1 more source

Terahertz Spectroscopy and Density Functional Theory for Non-Destructive Analysis of Anticoagulant Warfarin. [PDF]

Molecules
Li J, Zhang C, Wang X, Zhang J, Liu H, Wu X.   +5 more
europepmc   +1 more source

ELECTRONIC STRUCTURES OF PbWO4 CRYSTAL CALCULATED IN TERMS OF DENSITY FUNCTIONAL THEORY

, 2000
TONG HONG-YONG, Mu Gu, TANG XUE-FENG, Ling Liang, Mingzhen Yao   +4 more
openalex   +1 more source

The Relationship Between Inflammation and Central Nervous System in Multiple Sclerosis

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Aim Multiple sclerosis is an autoimmune demyelination disease that is seen especially in the young population and has a progressive course, causing motor, sensory, and cognitive deficits. In the literature, the pathogenesis of MS disease and the interconnection between the immune and central nervous system in the disease have not been fully ...
Gamze Ansen, Ali Behram Salar, Abdulkadir Ermis, Erkingul Birday, Lutfu Hanoglu, Bayram Ufuk Sakul   +5 more
wiley   +1 more source

Benchmark CCSD(T) and Density Functional Theory Calculations of Biologically Relevant Catecholic Systems. [PDF]

J Phys Chem B
Harle J, Cafiero M.
europepmc   +1 more source

Recent developments in libxc - A comprehensive library of functionals for density functional theory

SoftwareX, 2018
S. Lehtola, Conrad Steigemann, Micael J. T. Oliveira, M. Marques   +3 more
semanticscholar   +1 more source

Effect of Nonsteroidal Anti‐Inflammatory Drugs on Sacroiliac Joint Inflammation, as Seen on Magnetic Resonance Imaging, in Axial Spondyloarthritis

Arthritis Care &Research, EarlyView.
Objective Imaging evidence of active sacroiliitis is important for diagnosis, classification, and monitoring of axial spondyloarthritis (axSpA). However, there is no consistent guidance on whether patients should temporarily stop nonsteroidal anti‐inflammatory drugs (NSAIDs) before magnetic resonance imaging (MRI).
Gareth T. Jones, Alexander N. Bennett, Raj Sengupta, Pedro M. Machado, Helena Marzo‐Ortega, Lorna Aucott, Margaret A. Hall‐Craggs, Timothy J. P. Bray, Alan Bainbridge, Ruaridh M. Gollifer, Gary J. Macfarlane   +10 more
wiley   +1 more source