Results 81 to 90 of about 811,421 (270)

An upstream open reading frame regulates expression of the mitochondrial protein Slm35 and mitophagy flux

FEBS Letters, EarlyView.
This study reveals how the mitochondrial protein Slm35 is regulated in Saccharomyces cerevisiae. The authors identify stress‐responsive DNA elements and two upstream open reading frames (uORFs) in the 5′ untranslated region of SLM35. One uORF restricts translation, and its mutation increases Slm35 protein levels and mitophagy.
Hernán Romo‐Casanueva, Ariann E. Mendoza‐Martínez, P. Abril Medina‐Flores, Carlos Campero‐Basaldua, Alexander DeLuna, Soledad Funes   +5 more
wiley   +1 more source

Structural, Electronic and Vibrational Properties of B₂₄N₂₄ Nanocapsules: Novel Anodes for Magnesium Batteries

Nanomaterials
We report on DFT-TDDFT studies of the structural, electronic and vibrational properties of B24N24 nanocapsules and the effect of encapsulation of homonuclear diatomic halogens (Cl2, Br2 and I2) and chalcogens (S2 and Se2) on the interaction of the B24N24
Domenico Corona, Francesco Buonocore, Friedhelm Bechstedt, Massimo Celino, Olivia Pulci   +4 more
doaj   +1 more source

Antibacterial activities, DFT and QSAR studies of quinazolinone compounds

Bulletin of the Chemical Society of Ethiopia, 2016
The quinazolinone compounds (1 and 2) in this work were examined for their in vitro antibacterial activities against gram-positive (Staphylococcus aureus) and gram-negative bacteria (Klebsiella pneumonia, Proteus bacilli and Shigella flexneri).
A. G. Al-Sehemi, A. Irfan, S. A. Alrumman, A. E. Hesham   +3 more
doaj   +1 more source

Benchmarking time-dependent density functional theory for singlet excited states of thermally activated delayed fluorescence chromophores

Physical Review Research, 2022
Thermally activated delayed fluorescence (TADF) is the internal conversion of triplet excitons into singlet excitons via reverse intersystem crossing. TADF can significantly enhance the efficiency of organic light-emitting diodes (OLEDs).
Xiaopeng Wang, Siyu Gao, Mingwen Zhao, Noa Marom   +3 more
doaj   +1 more source

Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions

FEBS Letters, EarlyView.
We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva, Puspa Kunwar, Md Ibnul Rifat Rahman, Joanna Koryo Kwao, Nathan Lehman, Zihan Zhang, Trenton Paul, Claire Cheng, Nicholas Truex, Hui‐Ting Lee, Jun Zhang   +10 more
wiley   +1 more source

Magnons from time-dependent density-functional perturbation theory and nonempirical Hubbard functionals

npj Computational Materials
Spin excitations play a fundamental role in understanding magnetic properties of materials, and have significant technological implications for magnonic devices.
Luca Binci, Nicola Marzari, Iurii Timrov
doaj   +1 more source

Si-atoms substitutions effects on the electronic and optical properties of coronene and ovalene

New Journal of Physics, 2018
We report a computational comparative study of the ground and excited states properties of graphene nanoribbons, analyzing the case of coronene (C _24 H _12 ) and ovalene (C _32 H _14 ) and their silicon-atoms substituted counterparts with single, double
P Mocci, R Cardia, G Cappellini
doaj   +1 more source

Long-range excitations in time-dependent density functional theory

, 2006
Adiabatic time-dependent density functional theory fails for excitations of a heteroatomic molecule composed of two open-shell fragments at large separation.
Almbladh C. O., David G. Tempel, Maitra N. T., Neepa T. Maitra   +3 more
core   +1 more source

Spin dynamics from time-dependent spin density-functional theory [PDF]

, 2001
We derive the spin-wave dynamics of a magnetic material from the time-dependent spin density functional theory in the linear response regime. The equation of motion for the magnetization includes, besides the static spin stiffness, a "Berry curvature ...
Qian, Zhixin, Vignale, Giovanni
core   +2 more sources

PICALM::MLLT10 translocated leukemia

FEBS Letters, EarlyView.
This comprehensive review of PICALM::MLLT10 translocated acute leukemia provides an in‐depth review of the structure and function of CALM, AF10, and the fusion oncoprotein (1). The multifaceted molecular mechanisms of oncogenesis, including nucleocytoplasmic shuttling (2), epigenetic modifications (3), and disruption of endocytosis (4), are then ...
John M. Cullen, Antonia C. Nakatsugawa, Natalie Barton, Henry Haines, Gary S. Stein, Janet L. Stein, Daniel S. Wechsler, Jessica L. Heath   +7 more
wiley   +1 more source