Results 61 to 70 of about 124,338 (379)
Non-adiabatic derivative coupling elements for the coupled cluster singles and doubles model [PDF]
, 2023 We present an efficient implementation of analytical non-adiabatic derivative coupling elements for the coupled cluster singles and doubles model. The derivative coupling elements are evaluated in a biorthonormal formulation in which the nuclear derivative acts on the right electronic state, where this state is biorthonormal with respect to the set of ...
arxiv +1 more source
New Insights into the State Trapping of UV-Excited Thymine
Molecules, 2016 After UV excitation, gas phase thymine returns to a ground state in 5 to 7 ps, showing multiple time constants. There is no consensus on the assignment of these processes, with a dispute between models claiming that thymine is trapped either in the first
Ljiljana Stojanović +6 more
semanticscholar +1 more source
Molecules, 2022 A DNA Holliday junction (HJ) has been used as a versatile scaffold to create a variety of covalently templated molecular dye aggregates exhibiting strong excitonic coupling. In these dye-DNA constructs, one way to attach dyes to DNA is to tether them via
Shibani Basu +5 more
doaj +1 more source
The DNA Nucleobase Thymine in Motion - Intersystem Crossing Simulated with Surface Hopping [PDF]
, 2016 We report ab initio excited-state dynamics simulations on isolated thymine to investigate the mechanism of intersystem crossing, based on CASSCF potential energy surfaces and the \textsc{Sharc} surface hopping method. We show that even though $S_2 \rightarrow S_1$ internal conversion is not described accurately with CASSCF, intersystem crossing can be ...
arxiv +1 more source
Molecular Oncology, EarlyView.Urine is a rich source of biomarkers for cancer detection. Tumor‐derived material is released into the bloodstream and transported to the urine. Urine can easily be collected from individuals, allowing non‐invasive cancer detection. This review discusses the rationale behind urine‐based cancer detection and its potential for cancer diagnostics ...
Birgit M. M. Wever +1 more
wiley +1 more source
Thymine starvation causes abortive initiation of chromosome replication critical for cell death in Escherichia coli [PDF]
, 2013 Presentado en: XXXVI Congreso SEBBM (Sociedad Española de Bioquímica y Biología Molecular), Madrid, 4-6 septiembre, 2013Thymineless death (TLD), a phenomenon in which thymine auxotrophy becomes lethal when cells are starved for thymine, can be prevented
Guzmán Cabañas, Elena +2 more
core
Synthesis and Characterization of Thymine-15N2
Journal of Isotopes, 2016 A novel and mild synthesis method of thymine-15N2 was designed. Ethyl formate and ethyl propionate as raw materials, the intermediate ethyl 2-formylpropionate was condensed under sodium metal, the target compound thymine-15N2 was obtained by condensation
XU Jian-fei +3 more
doaj +1 more source
Expression and the Peculiar Enzymatic Behavior of the Trypanosoma cruzi NTH1 DNA Glycosylase. [PDF]
PLoS ONE, 2016 Trypanosoma cruzi, the etiological agent of Chagas' disease, presents three cellular forms (trypomastigotes, epimastigotes and amastigotes), all of which are submitted to oxidative species in its hosts. However, T.
Fernando Ormeño +10 more
doaj +1 more source
Advanced Healthcare Materials, EarlyView.AIMSPec‐LoC is a novel lab‐on‐a‐chip platform integrating size‐based extracellular vesicle (EVs) separation with label‐free Raman spectroscopy and AI‐powered classification via SKiNET. This high‐throughput, portable system enables real‐time, multiplexed molecular fingerprinting of EVs from biofluids, offering transformative potential for early, non ...
Emma Buchan +3 more
wiley +1 more source
The design and synthesis of inhibitors of Mycobacterium tuberculosis thymidylate kinase (MtTMPK) [PDF]
, 2015 Thymidylate kinase (TMPK) phosphorylates thymidine 5’-monophosphate (dTMP) and has been proposed as an attractive target for Mycobacterium tuberculosis (Mt).1 By mimicking the structure of the substrate (dTMP), we have previously discovered different ...
Hulpia, Fabian +4 more
core +1 more source