Proton transfer in cytosine

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August undefined, 2024

WebbThe influence of external electric fields on proton transfer tautomerism in the guanine–cytosine base pair† Alexander Gheorghiu, a Peter V. Coveney *ab and Alya A. Arabi *ac The Watson–Crick ... WebbProton transfer, either from a protonated molecule to a neutral molecule or from a neutral molecule to a negative ion, often proceeds at, or near, the collision rate when exothermic (see Figure 1).When the proton-transfer exothermicity is large, internal energy can …

Identification of DNA single-base mismatches by resistivity of poly …

Webb1 nov. 2009 · The electron-attachment-induced proton transfer in the guanine-cytosine (G:C) base pair is thought to be relevant to the issues of charge transport and radiation damage in DNA. However, our understanding on the reaction mainly comes from the data of isolated bases and base pairs, and the behavior of the reaction in the DNA duplex is … Webb11 apr. 2024 · Download Citation Stretching effects on non-adiabatic electron dynamic behavior in poly(dG)-poly(dC) DNA upon the proton irradiation The electronic excitations generated when DNA is exposed to ... butterfly sleeve embroidery mesh a line dress

Proton Transfer - an overview ScienceDirect Topics

Webb23 feb. 2024 · This work investigates the effects external electric fields have on the stability of the guanine–cytosine proton transfer tautomers within a realistic strand of aqueous DNA using a combination of ensemble-based classical molecular dynamics (MD) coupled to quantum mechanics/molecular mechanics (QM/MM). The Watson–Crick … Webb28 mars 2024 · Proton transfer in guanine–cytosine base pair analogues studied by NMR spectroscopy and PIMD simulations † Radek Pohl a, Ondřej Socha a, Petr Slavíček b, Michal Šála a, Paul Hodgkinson c and Martin Dračínský * a aInstitute of Organic Chemistry and … Webb1 jan. 2000 · Solvent-mediated proton transfer reactions of mono- and dihydrated cytosine tautomers were investigated by ab initio quantum chemical calculations. MP2/6-31G** and MP2/D95** energy calculations were performed over geometries obtained at the HF/3 … cecelia hahn thomas

Proton transfer during DNA strand separation as a source of muta…

Theoretical investigation of the proton transfer mechanism in …

Webb15 mars 2008 · Following exposure to X-irradiation at low temperatures, the main reactions taking place in single crystals of cytosine monohydrate doped with minute amounts of 2-thiocytosine are hole transfer from the electron-loss centers to the dopant and recombination of oxidation and reduction products, assumedly by electron transfer. … Webb1 okt. 2009 · Here we extend our methodology to the guanine-cytosine base pair (GC), for which it turns out that the proton transfer in the gas phase is a synchronous concerted mechanism. The O (G)-H-N (C) hydrogen bond strength emerges as the key parameter in … cecelia lockner goodwinWebbProton/hydrogen-transfer processes have been broadly studied in the past 50 years to explain the photostability and the spontaneous tautomerism in the DNA base pairs. In the present study, the CASSCF/CASPT2 methodology is used to map the two-dimensional potential energy surfaces along the stretched NH reaction coordinates of the … cecelia hendy

"Webb1 okt. 2009 · Here we extend our methodology to the guanine-cytosine base pair (GC), for which it turns out that the proton transfer in the gas phase is a synchronous concerted mechanism. The O(G)-H-N(C) hydrogen bond strength emerges as the key parameter in this process, to the extent that complete transfer takes place by means of this hydrogen bond. " - Proton transfer in cytosine

Proton transfer in cytosine

Infrared Signatures of Proton Transfer in Guanine Cytosine and …

Webb15 juni 2024 · Tautomerism in guanine–cytosine base pairs resulting from intermolecular proton transfer has been suggested to be responsible for the universal guanine–cytosine to adenine–thymine mutation... WebbDouble Proton Transfer in the Guanine-Cytosine Base Pair Federica Angiolari, †Simon Huppert,‡Fabio Pietrucci,¶and Riccardo Spezia∗, †Sorbonne Universit´e, Laboratoire de Chimie Th´eorique, UMR 7616 CNRS, 4 Place Jussieu, 75005 Paris (France). ‡Sorbonne Universit´e, Institut de Nanosciences de Paris, UMR 7588 CNRS, 4 Place

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WebbThe proton transfer reactions of the DNA trimers are compared with the corresponding isolated hydrogenated GC base pairs to explore the influence of the surrounding molecules and the base sequence. The proton transfer reactions of the neutral species, cations, … WebbThe Watson–Crick base pair proton transfer tautomers would be widely considered as a source of spontaneous mutations in DNA replication if not for their short lifetimes and thermodynamic instability. This work investigates the effects external electric fields have …

WebbFive-hydrated cytosine tautomeric forms of are investigated at CPCM/SCS-MP2/6–31 + ... The water-assisted proton transfer reactions released through asynchronous concerted mechanism and the conformation of the sugar ring in nucleosides does not change during the tautomerization.

WebbDifferent derivatives of Guanine (G) and Cytosine (C), which sterically enforce the Watson–Crick (WC) conformer, have been studied in CHCl3 by means of broad-band transient absorption spectroscopy. Our experiments rule out the involvement of an Excited State Proton Transfer (ESPT), which dominates the excited state decay of GC in the gas … WebbAmide proton transfer (APT) imaging is a new MRI technique that detects endogenous mobile proteins and peptides in tissue via saturation of the amide protons in the peptide bonds. APT is a safe, non-invasive technology which can be easily performed using …

Webb11 apr. 2024 · Download Citation Photoionization Dynamics and Proton Transfer within the Adenine-Thymine Nucleobase Pair Studying the stability of hydrogen-bonded nucleobase pairs, at the heart of the ...

Webb13 feb. 2001 · General acid-base catalysis† is common in enzyme-catalyzed systems where proton transfer occurs in the transition state of the chemical step. General acid-base catalysis can accelerate chemical-catalyzed reactions 10- to 100-fold in solution (); in enzyme systems, results from mutagenesis data indicate that the rate acceleration can … butterfly sleep positionWebb3 mars 2024 · Phosphorescent material is widely used in light-emitting devices and in the monitoring of cell phenomena. Anthraquinone compounds (AQs), as important phosphorescent materials, have potential applications as emitters for highly efficient organic light-emitting diodes (OLEDs). Therefore, the accurate calculation of the … cecelia hensleyWebb21 nov. 2012 · Theoretical investigation of the proton transfer mechanism in guanine-cytosine and adenine-thymine base pairs Ab initio constrained molecular dynamics and metadynamics were employed to investigate the mechanism of proton transfer in … cecelia healyWebb17 feb. 2024 · The collision-induced dissociation of the protonated cytosine–guanine pair was studied using tandem mass spectrometry (MS 3) coupled to infrared multiple photon dissociation spectroscopy with the free electron laser at Orsay (CLIO) to determine the … cecelia harveyWebb2 aug. 2012 · The double-proton transfer reactions in Watson-Crick guanine-cytosine (GC) base pairs after hydrogen atom addition are studied theoretically. The structural changes and energy differences among the structures are compared to explore the double-proton transfer mechanisms, concerted and stepwise. cecelia hendersonWebbAbstract Altogether six tautomers of cytosine and three tautomers of cytidine and deoxycytidine are studied theoretically in the gas phase and in a microhydrated environment. Their structures are o... Tautomerism of cytosine, cytidine, and … butterfly sleeves royale highWebb13 okt. 2009 · The electron-attachment-induced proton transfer in the guanine−cytosine (G:C) base pair is thought to be relevant to the issues of charge transport and radiation damage in DNA. However, our understanding on the reaction mainly comes from the … butterfly sleeve sweatshirt