Results 221 to 230 of about 2,072,080 (375)

Hybrid Diagonal Approximation in Time-Dependent Auxiliary Density Functional Theory. [PDF]

J Comput Chem
Pérez-Becerra KO, Pedroza-Montero JN, Pederson MR, Hernández-Segura LI, Köster AM.   +4 more
europepmc   +1 more source

A Proposal of the Approximate Kinetic Energy Functional of the Pair Density Functional Theory [PDF]

, 2014
Katsuhiko Higuchi, Masahiko Higuchi
openalex   +1 more source

Comparative Study of Structural and Electronic Properties of Amphetamine Derivatives Using Density Functional Theory

, 2023
B. S. Arya, S. Jayasudha, Melepurath Deepa, P. Sachidanandan, V.M. Anandakumar   +4 more
openalex   +1 more source

NR4A1 Exerts Pro‐Tumor Role in Glioblastoma via Inducing xCT/GPX4‐Regulated Ferroptosis

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Purpose This study investigates NR4A1's paradoxical roles in glioblastoma (GBM) progression, focusing on its mechanistic link to ferroptosis regulation. We aimed to resolve conflicting reports of NR4A1 as both an oncogene and a tumor suppressor by defining its transcriptional control over xCT/GPX4‐mediated iron homeostasis and its clinical ...
Peng Tao, Shikuan Din, Zhengkang Fu, Qian Sun, Xiwei Zhu, Yuxin Wei, Huan Qu, Xinyi Zhang, Jiaxuan Liu, Chuhua Fu, Qianxue Chen   +10 more
wiley   +1 more source

Density functional theory insights into the formation mechanisms and reaction rates of Strecker aldehydes. [PDF]

RSC Adv
Ishida S, Miyagawa K, Shoji M.
europepmc   +1 more source

Visual Recovery Reflects Cortical MeCP2 Sensitivity in Rett Syndrome

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Rett syndrome (RTT) is a devastating neurodevelopmental disorder with developmental regression affecting motor, sensory, and cognitive functions. Sensory disruptions contribute to the complex behavioral and cognitive difficulties and represent an important target for therapeutic interventions.
Alex Joseph Simon, Nathalie Picard, Valeria d'Andrea, Enchi Chang, Joseph Leffler, Eleonora Centofante, Matthew Taylor, Francesca Bardi, Francesca Cavicchiolo, Takao K. Hensch, Stefano Panzeri, Chinfei Chen, Michela Fagiolini   +12 more
wiley   +1 more source

Desalination of seawater via the freeze-thaw method based on density functional theory. [PDF]

Sci Rep
Zhao T, Li C, Han A, Yuan B, Wang X, Meng X.   +5 more
europepmc   +1 more source

Interleukin‐6 as a Key Biomarker in Facioscapulohumeral Dystrophy: Evidence From Longitudinal Analyses

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Facioscapulohumeral muscular dystrophy type 1 (FSHD1) is a progressive neuromuscular disorder with no approved treatments. Identifying reliable biomarkers is critical to monitor disease severity, activity, and progression. Interleukin‐6 (IL‐6) has been proposed as a candidate biomarker, but longitudinal validation is limited ...
Jonathan Pini, Emanuela Martinuzzi, Sandra Dhifallah, Abderhmane Slioui, Angela Puma, Luisa Villa, Michele Cavalli, Andra Ezaru, Jérémy Garcia, Manuela Gambella, Federico Torre, Luca Jacopo Pavan, Nicolas Glaichenhaus, Sabrina Sacconi   +13 more
wiley   +1 more source

Electrically and mechanically tunable Rashba splitting in SbSeI Janus layer: a density functional theory study. [PDF]

Sci Rep
Kumar A, Sudheer AE, Tejaswini G, Vallinayagam M, Zschornak M, Murali D, Kamal C.   +6 more
europepmc   +1 more source

SIMULATION OF VANADIUM OXIDE STRUCTURE ON ANATASE SURFACE BY DENSITY FUNCTIONAL THEORY

, 2019
Maria N. Golosnaya, N.A. Nikitina, D. А. Pichugina, Nikolay E. Kuz’menko, В. В. Каичев   +4 more
openalex   +2 more sources