Electron Dynamics in Open Quantum Systems: The Driven Liouville-von Neumann Methodology within Time-Dependent Density Functional Theory. [PDF]
J Chem Theory Comput, 2023 Oz A, Nitzan A, Hod O, Peralta JE.
europepmc +1 more source
Study on benzoic acid by THz time-domain spectroscopy and density functional theory
, 2011 In this letter, we employ terahertz time-domain spectroscopy (THz-TDS) technology to measure the THz absorption spectrum and refractive index of benzoic acid at room temperature.
ZhengZhuanping +3 more
core
Detecting and estimating epidemic changes in dependent functional data [PDF]
, 2011 Change point detection in sequences of functional data is examined where the functional observations are dependent. Of particular interest is the case where the change point is an epidemic change (a change occurs and then the observations return to ...
Aston, John A. D., Kirch, Claudia
core
Molecular Oncology, EarlyView.This study identifies somatostatin receptor 4 (Sstr4) as a critical tumor suppressor against skin and head/neck cancers (HNSCC, cSCC, and BCC). The loss of Sstr4 removes a check on cell growth, causing hyperactivation of the MAPK‐ERK signaling pathway (↑).
Ali Taqvi +6 more
wiley +1 more source
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory: Multireference Advantages with the Practicality of Linear Response Theory. [PDF]
J Phys Chem Lett, 2023 Park W, Komarov K, Lee S, Choi CH.
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Mechanisms and therapeutic opportunities of the ribotoxic stress response in cancer
Molecular Oncology, EarlyView.Cancer cells' high translational demand creates opportunities to therapeutically target ribosome function. Ribosome stalling and collisions activate ZAKα and the ribotoxic stress response (RSR), which can trigger rapid, p53‐independent apoptosis in cancer.
Anastassiya Kim +7 more
wiley +1 more source
A theoretical study on the intramolecular charge-transfer of 1-methylamideanthraquinone
四川大学学报. 自然科学版, 2019 The ground states and excitation states of 1-methylamideanthraquinone (MAAQ) are studied by using density functional theory (DFT) combined with time-dependent density functional theory. In the S0 state of MAAQ, amide group is coplanar with anthraquinone,
LIU Wen-Fang +3 more
doaj
Retraction: Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models. [PDF]
RSC Adv, 2023 Hancock AC, Goerigk L.
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The VHL tumor suppressor at the crossroad of protein folding, aggregation, and cancer
Molecular Oncology, EarlyView.Mutations, environmental stress, and chaperone dysfunction can destabilize pVHL, promoting its conversion from the native folded state into amyloid‐like assemblies. This transition may contribute to protein storage, cell dormancy, survival, and drug resistance.
Lara Abad +2 more
wiley +1 more source
Molecular Oncology, EarlyView.In head and neck squamous cell carcinoma (HNSCC) p53 and p63 exert opposite roles on the transcription regulation of the lncRNA NEAT1. Under basal conditions, p53 levels are low and p63 represses NEAT1 expression. Upon genotoxic stress, p53 is rapidly induced, displacing p63 from the NEAT1 promoter leading to NEAT1 transcriptional activation and ...
Sara De Domenico +5 more
wiley +1 more source