Proton transfer in cytosine

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August undefined, 2024

WebbAbstract 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 … Webb2 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.

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WebbProton-transfer in hydrogenated guanine–cytosine trimer neutral species, cations, ... The 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. 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... danielle alberti ziek

Intermolecular proton transfer in microhydrated guanine-cytosine …

WebbProton transfer is arguably the most important and common chemical reaction governing biochemical processes, including ion channel function, enzymatic reactions, etc. Direct observation of proton transfer in biomacromolecules has not been possible previously. Webb27 mars 1996 · The energetic provisions for Löwdin's DNA mutational mechanism (Löwdin, P. O. Rev. Mod. Phys. 1963, 35, 724) of the formation of substitution DNA mutations were investigated for the guanine·cytosine Watson−Crick base pair. The structures studied involve the canonical base pair (GC1), rare base-pair tautomers that are formed from … Webb3 apr. 2024 · The electro-oxidation of 7-mGua occurs in a single irreversible pH-dependent step, with the removal of two electrons and one proton from C8, Fig. 1, with formation of 8-oxo-7-methyl-guanine [17]. The previous results revealed that the electrode reaction of 5-mCyt, Fig. 1 , occurs in a single, one-electron one-proton, irreversible step, generating … danielle akiyama o\u0027connor

Proton/Hydrogen Transfer Mechanisms in the Guanine-Cytosine …

The influence of external electric fields on proton transfer ...

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 ... 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 … danielle akiyama o\\u0027connorWebb1 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 … danielle allarie

"WebbProton/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 … " - Proton transfer in cytosine

Proton transfer in cytosine

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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. Webb14 apr. 2014 · The proton transfer reactions of the neutral species, cations, and anions are compared, aiming to clarify the effects of the system's total charge. The results reveal that the surrounding molecules decrease the reaction energies of proton-transfer in …

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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 ... WebbIt has been hypothesised that proton tunnelling between paired nucleobases significantly enhances the formation of rare tautomeric forms and hence leads to errors in DNA replication. Here, we study nuclear quantum effects (NQEs) using deuterium isotope …

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 … 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, …

WebbThis 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). Webb27 dec. 2024 · In cytochrome c oxidase (CytcO) reduction of O2 to water is linked to uptake of eight protons from the negative side of the membrane: four are substrate protons used to form water and four are ...

Webb18 mars 2024 · The 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 ... The influence of external electric fields on proton transfer tautomerism in the guanine-cytosine base pair Phys Chem Chem Phys. 2024 Mar 18;23(10):6252-6265 . doi ...

Webb24 juni 2024 · Proton transfer (PT) reactions, in particular single (SPT), double (DPT) or multiple (MPT), are widespread phenomena in many branches of the life sciences. These reactions proceed through the transfer of the proton between donor and acceptor … danielle alarid asuWebb5 maj 2024 · Pohl, R. et al. Proton transfer in Guanine–Cytosine base pair analogues studied by nmr spectroscopy and pimd simulations. Faraday Discuss. 212, 331–344 (2024). maritime ringe damenWebbProton 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 … danielle alaina ellisWebb13 feb. 2001 · Proton inventory of the wild-type reaction supported a mechanism of a single proton transfer at the transition state. This proton transfer step was further characterized by exogenous base rescue of a C76Δ mutant with cytosine and imidazole … danielle albritton dade city flWebb13 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 … danielle albany pfeifferWebbThe 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 ... danielle alfssonWebb3 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 … danielle alcarez photos