Results 71 to 80 of about 5,216,810 (303)

Estimating Molecular Thermal Averages with the Quantum Equation of Motion and Informationally Complete Measurements

Entropy
By leveraging the Variational Quantum Eigensolver (VQE), the “quantum equation of motion” (qEOM) method established itself as a promising tool for quantum chemistry on near-term quantum computers and has been used extensively to estimate molecular ...
Daniele Morrone, N. Walter Talarico, Marco Cattaneo, Matteo A. C. Rossi   +3 more
doaj   +1 more source

Leucine‐rich glioma inactivated 1 (LGI1) is a ganglioside‐binding protein

FEBS Letters, EarlyView.
Neuronal hyperexcitability associated with a decrease/absence of the extracellular protein LGI1 has been suggested to be primarily due to the downregulation of Kv1 channel expression. The molecular mechanisms underlying this decrease have not yet been elucidated.
Kévin Debreux, Christian Lévêque, Fodil Azzaz, Marion Sangiardi, Sarosh R Irani, Michael Seagar, Jacques Fantini, Oussama El Far   +7 more
wiley   +1 more source

Excitation Number: Characterizing Multiply Excited States

Journal of Chemical Theory and Computation, 2017
How many electrons are excited in an electronic transition? In this Letter, we introduce the excitation number η to answer this question when the initial and final states are each modeled by a single-determinant wave function. We show that calculated η values lie close to positive integers, leading to unambiguous assignments of the number of excited ...
Giuseppe M. J. Barca, Andrew T. B. Gilbert, Peter M. W. Gill   +2 more
openaire   +3 more sources

Smaller is better: nanobodies meet NMR

FEBS Letters, EarlyView.
Nanobodies are single‐domain antigen‐binding fragments derived from camelid heavy chain antibodies. Their small size, high stability, and exceptional specificity make nanobodies uniquely useful probes for NMR studies of protein dynamics, transient conformational states, and protein–protein interactions.
Oleg Y. Dmitriev
wiley   +1 more source

Characterizing excited triplet states of synthetic eumelanin and pheomelanin by the application of selected diene probes

Scientific Reports
Although the role of excited triplet states in aerobic photochemistry of melanin pigments has been implicated, the molecular origin of the melanin subunits excited to triplet states and their key thermodynamic parameters remain unknown.
Krystian Mokrzyński, Grzegorz Szewczyk, Tadeusz Sarna   +2 more
doaj   +1 more source

Properties of excited B states in QCD

Nuclear Physics B, 2019
The mass and leptonic decay constants of recently observed two new excited $B_c$ states at LHC are studied within the QCD sum rules. Considering the contributions of the ground and radially excited states, the mass and residues of the excited states of pseudoscalar and vector mesons are calculated in the framework of two different approaches of the QCD
Aliev, T.M., Barakat, T., Bilmis, S.
openaire   +4 more sources

Excited-State Absorption by Linear Response Time-Dependent Density Functional Theory

, 2020
Investigations of the ground and excited states absorption are very important for the development of advanced optical limiters. Linear response time-dependent density-functional theory (LR-TDDFT) has become popular for calculating absorption spectra of ...
Chunrui Wang (1399012), Junfeng Shao (8458356), Kai Yin, Jichao Chen, Jian Wang (5901), Hongjuan Zhu (3532109), Junfeng Shao, Chunrui Wang, Hongjuan Zhu, Kai Yin (463147), Fei Chen (13690), Fei Chen, Jichao Chen (108786), Jian Wang, Xiaowei Sheng (4497334), Xiaowei Sheng   +15 more
core   +1 more source

IMPDH inhibition enhances cytarabine efficacy in SAMHD1‐expressing leukaemia cells via guanine nucleotide depletion

Molecular Oncology, EarlyView.
Cytarabine is a key therapy for acute myeloid leukaemia (AML), but its efficacy is limited by the dNTPase SAMHD1, which hydrolyses its active metabolite. Screening nucleotide biosynthesis inhibitors revealed that IMPDH inhibitors selectively sensitise SAMHD1‐proficient AML cells to cytarabine.
Miriam Yagüe‐Capilla, Christopher Dirks, Caroline Eiden, Sonja K. Fesenmayer, Femke M. Hormann, Yolande Klootsema, Ingrid Lilienthal, Si Min Zhang, Nikolas Herold, Sean G. Rudd   +9 more
wiley   +1 more source

USP29‐regulated noncanonical stabilization of the hypoxia‐inducible factor‐α in aggressive prostate cancer

Molecular Oncology, EarlyView.
We identify USP29 as the only DUB mirroring CA9 expression, a marker of hypoxia and HIF pathway activation associated with PCA aggressiveness. USP29 stabilizes HIF‐1α and HIF‐2α via a noncanonical mechanism that is independent of PHD/pVHL activity yet relies on proteasomal regulation, establishing USP29 as a previously unrecognized regulator of hypoxic
Amelie S Schober, Leire Moreno‐Cugnon, Laura Martínez‐Pérez, Amaia Ercilla, Amaia Zabala‐Letona, Adrián Vicente‐Barrueco, Maider Fagoaga‐Eugui, Saioa Garcia‐Longarte, Blanca Calle‐Ciborro, Encarnación Pérez‐Andrés, Onintza Carlevaris, Sara Pozo, Isabel Mendizabal, Ugo Mayor, Arkaitz Carracedo, Violaine Sée, Edurne Berra   +16 more
wiley   +1 more source

Inclusion of the excited states quark propagator to the nucleon electromagnetic form factors in the perturbative chiral quark model

Results in Physics, 2020
Electromagnetic form factors of the nucleon are studied within the framework of the Perturbative Chiral Quark Model (PCQM). In a previous analysis of the nucleon electromagnetic form factors, the quark propagator used in the calculation was truncated to ...
J. Jarassriwilai, K. Pumsa-ard, P. Uttayarat   +2 more
doaj   +1 more source