Fractional charge density functional theory elucidates electro-inductive and electric field effects at electrochemical interfaces. [PDF]
Proc Natl Acad Sci U S AKim JH, Yang W.
europepmc +1 more source
A minimal cellulosome‐like system in Cellulosilyticum lentocellum
FEBS Open Bio, EarlyView.Cellulose‐degrading bacteria typically use cellulosomes, large multi‐enzyme complexes on a scaffold protein. In Cellulosilyticum lentocellum, we characterise a far smaller arrangement, a single scaffold bound to one cellulase through a single cohesin‐dockerin interaction.
John Allan +2 more
wiley +1 more source
PARSEC.py: A Python-Based Real-Space Kohn-Sham Density Functional Theory Code Accelerated by Machine Learned Charge Density. [PDF]
J Comput ChemZhang Z +4 more
europepmc +1 more source
Cell surface CD11c as a neutrophil aging marker molecule
FEBS Open Bio, EarlyView.Cell surface CD11chi neutrophils were more aged and had better phagocytic function than CD11c−/lo neutrophils. Transcriptomic analysis of CD11chi neutrophils and CD11c−/lo neutrophils in pediatric population showed that the most difference was seen in infants.
Sophia Koutsogiannaki +5 more
wiley +1 more source
Spin-Dependent Electronic Properties of Bilayer α‑Graphyne Zigzag Nanoribbons: A Density Functional Theory Study. [PDF]
ACS OmegaMacedo Barros ME +3 more
europepmc +1 more source
BCG vaccination potentiates oxidative phosphorylation in neonatal myeloid‐derived suppressor cells
FEBS Open Bio, EarlyView.BCG vaccination enhances oxidative phosphorylation in neonatal MDSCs, impairing their immunosuppressive function. It upregulates electron transport chain genes and mitochondrial activity, increasing ATP and oxygen consumption. Pharmacological OXPHOS inhibition partially restores suppressive capacity, confirming causality.
Yingying Chen, Hui Li
wiley +1 more source
Catalytic Ammonia Synthesis Over Metal-Free Silicon Disubstituted Cyclo[18]carbon: A Density Functional Theory Study. [PDF]
ChemphyschemArora A, Sen S, Pal S.
europepmc +1 more source
Mutant NPM1 in Acute Myeloid Leukemia Initiation and Maintenance
Aging and Cancer, EarlyView.NPM1 mutations drive acute myeloid leukemia by acting as neomorphic transcriptional regulators that cooperate with Menin–MLL and XPO1 to sustain HOX/MEIS1 expression and block differentiation. Targeting these mutant‐specific transcriptional dependencies provides a rational therapeutic strategy for NPM1‐mutated AML.
Yanan Jiang +3 more
wiley +1 more source
Ultrafast excited-state proton transfer dynamics using linearized pair-density functional theory. [PDF]
Chem SciClifford HS, Seal A, Gagliardi L.
europepmc +1 more source
Elevated Connectivity During Language Processing Is Associated With Cognitive Performance in SeLECTS
Annals of Clinical and Translational Neurology, EarlyView.ABSTRACT Objective Self‐Limited Epilepsy with Centrotemporal Spikes (SeLECTS) is associated with language impairments despite seizures originating in the motor cortex, suggesting aberrant cross‐network interactions. Here we tested whether functional connectivity in SeLECTS during language tasks predicts language performance.
Wendy Qi +8 more
wiley +1 more source