Results 161 to 170 of about 24,701,591 (295)

Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes

FEBS Open Bio, EarlyView.
Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard, Emma‐Jayne Proctor, Jiawa Wang, Nikolas P. Johnston, Andrew Hayes, Georgia McCorkell, Haibo Yu, Jai Tree, Mark R. Davies, Mark J. Walker, Ronald Sluyter, Stephan Brouwer, Martina L. Sanderson‐Smith   +12 more
wiley   +1 more source

Optical Activity of Spin-Forbidden Electronic Transitions in Metal Complexes from Time-Dependent Density Functional Theory with Spin-Orbit Coupling. [PDF]

ChemistryOpen, 2022
Ludowieg HD, Srebro-Hooper M, Crassous J, Autschbach J.   +3 more
europepmc   +1 more source

Hyperosmotic stress‐induced redistribution of pre‐mRNA cleavage factor I subunits is associated with shifts in alternative polyadenylation

FEBS Open Bio, EarlyView.
Hyperosmotic stress triggers the relocation of the CFIm complex from the nucleus to the cytoplasm. This shift creates a nuclear ‘stoichiometric bottleneck’, limiting CFIm availability for mRNA processing. Consequently, specific mRNAs like NUDT21 and DICER1 undergo targeted 3′UTR shortening, demonstrating how spatial protein dynamics drive rapid ...
Hitomi Soumiya, Masatake Osawa, Hidefumi Fukumitsu   +2 more
wiley   +1 more source

A Three-Head Hamiltonian-consistent neural network for nonadiabatic time-dependent density functional theory dynamics

Machine Learning: Science and Technology
The exact exchange-correlation potential $v_{\mathrm{xc}}$ in time-dependent density functional theory is a causal functional of the full density history, a dependence that widely used adiabatic approximations discard.
Likun Wang, Jianing Zhou, Linjing Li, Daniel Dajun Zeng   +3 more
doaj   +1 more source

Time-Dependent Density Functional Theory Calculations of N- and S-Doped TiO₂ Nanotube for Water-Splitting Applications. [PDF]

Nanomaterials (Basel), 2021
Lin YP, Isakoviča I, Gopejenko A, Ivanova A, Začinskis A, Eglitis RI, D'yachkov PN, Piskunov S.   +7 more
europepmc   +1 more source

Effects of IGFBP4 deficiency on human preadipocyte proliferation and differentiation through the IGF1R/AKT pathway

FEBS Open Bio, EarlyView.
IGFBP4 knockdown (KD) impairs preadipocyte proliferation and is associated with IGF1R protein downregulation and attenuated AKT phosphorylation. The mechanisms by which IGFBP4 KD influences the IGF1R/AKT signaling pathway involve newly synthesized proteins and lysosomal degradation pathways. Created in BioRender.
Yujia Guo, Sandy Richter, Christoph Bach, Wieland Kiess, Anna Kirstein, Diana Le Duc, Antje Garten   +6 more
wiley   +1 more source

Evaluation of molecular photophysical and photochemical properties using linear response time-dependent density functional theory with classical embedding: Successes and challenges. [PDF]

J Chem Phys, 2022
Liang W, Pei Z, Mao Y, Shao Y.
europepmc   +1 more source

Ionomycin suppresses cancer cell growth by disrupting mitochondrial transcription

FEBS Open Bio, EarlyView.
In this study, we identify a new function for the selective Ca2+ ionophore, ionomycin, as an inhibitor of mitochondrial transcription. Both total and nascent RNA analyses revealed that ionomycin treatment reduces the transcription of mitochondrial genes.
Lishen Wang, Mingqiang Deng, Dongmei He, Diqin Lai, Dongjun Liu, Dengyong Zhu, Zhenhua Zhang, Peng Tang, Chuanman Zhou, Menghui Yin, Xichen Bao   +10 more
wiley   +1 more source

Accelerating multiscale electronic stopping power predictions with time-dependent density functional theory and machine learning

npj Computational Materials
Knowing the rate at which particle radiation releases energy in a material, the “stopping power,” is key to designing nuclear reactors, medical treatments, semiconductor and quantum materials, and many other technologies.
Logan Ward, Ben Blaiszik, Cheng-Wei Lee, Troy Martin, Ian Foster, André Schleife   +5 more
doaj   +1 more source

Environment Effects on X-Ray Absorption Spectra With Quantum Embedded Real-Time Time-Dependent Density Functional Theory Approaches. [PDF]

Front Chem, 2022
De Santis M, Vallet V, Gomes ASP.
europepmc   +1 more source