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2.
J Phys Condens Matter ; 28(49): 495101, 2016 12 14.
Artículo en Inglés | MEDLINE | ID: mdl-27731310

RESUMEN

We call monomer a B-DNA base pair and study, analytically and numerically, electron or hole oscillations in monomers, dimers and trimers. We employ two tight binding (TB) approaches: (I) at the base-pair level, using the on-site energies of the base pairs and the hopping parameters between successive base pairs i.e. a wire model, and (II) at the single-base level, using the on-site energies of the bases and the hopping parameters between neighbouring bases, specifically between (a) two successive bases in the same strand, (b) complementary bases that define a base pair, and (c) diagonally located bases of successive base pairs, i.e. an extended ladder model since it also includes the diagonal hoppings (c). For monomers, with TB II, we predict periodic carrier oscillations with frequency [Formula: see text]-550 THz. For dimers, with TB I, we predict periodic carrier oscillations with [Formula: see text]-100 THz. For trimers made of identical monomers, with TB I, we predict periodic carrier oscillations with [Formula: see text]-33 THz. In other cases, either with TB I or TB II, the oscillations may be not strictly periodic, but Fourier analysis shows similar frequency content. For dimers and trimers, TB I and TB II are successfully compared giving complementary aspects of the oscillations.


Asunto(s)
ADN/química , Emparejamiento Base , Electrones , Sustancias Macromoleculares , Polímeros/química
3.
Phys Rev E ; 93(6-2): 069902, 2016 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-27415400

RESUMEN

This corrects the article DOI: 10.1103/PhysRevE.92.032725.

4.
Phys Rev E ; 94(6-1): 062403, 2016 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-28085358

RESUMEN

We employ two tight-binding (TB) approaches to systematically study the electronic structure and hole or electron transfer in B-DNA monomer polymers and dimer polymers made up of N monomers (base pairs): (I) at the base-pair level, using the onsite energies of base pairs and the hopping integrals between successive base pairs, i.e., a wire model and (II) at the single-base level, using the onsite energies of the bases and the hopping integrals between neighboring bases, i.e., an extended ladder model since we also include diagonal hoppings. We solve a system of M (matrix dimension) coupled equations [(I) M=N, (II) M=2N] for the time-independent problem, and a system of M coupled first order differential equations for the time-dependent problem. We perform a comparative study of stationary and time-dependent aspects of the two TB variants, using realistic sets of parameters. The studied properties include HOMO and LUMO eigenspectra, occupation probabilities, density of states and HOMO-LUMO gaps as well as mean over time probabilities to find the carrier at each site [(I) base pair or (II) base], Fourier spectra, which reflect the frequency content of charge transfer, and pure mean transfer rates from a certain site to another. The two TB approaches give coherent, complementary aspects of electronic properties and charge transfer in B-DNA monomer polymers and dimer polymers.


Asunto(s)
ADN Forma B/química , Fenómenos Electrofisiológicos , Modelos Biológicos , Polímeros/química , Emparejamiento Base , Análisis Espectral
5.
Artículo en Inglés | MEDLINE | ID: mdl-26465516

RESUMEN

We call monomer a B-DNA base pair and examine, analytically and numerically, electron or hole oscillations in monomer and dimer polymers, i.e., periodic sequences with repetition unit made of one or two monomers. We employ a tight-binding (TB) approach at the base-pair level to readily determine the spatiotemporal evolution of a single extra carrier along a N base-pair B-DNA segment. We study highest occupied molecular orbital and lowest unoccupied molecular orbital eigenspectra as well as the mean over time probabilities to find the carrier at a particular monomer. We use the pure mean transfer rate k to evaluate the easiness of charge transfer. The inverse decay length ß for exponential fits k(d), where d is the charge transfer distance, and the exponent η for power-law fits k(N) are computed; generally power-law fits are better. We illustrate that increasing the number of different parameters involved in the TB description, the fall of k(d) or k(N) becomes steeper and show the range covered by ß and η. Finally, for both the time-independent and the time-dependent problems, we analyze the palindromicity and the degree of eigenspectrum dependence of the probabilities to find the carrier at a particular monomer.


Asunto(s)
ADN Forma B/química , Polímeros/química , Simulación por Computador , Electrones , Modelos Genéticos , Periodicidad
6.
Stomatologia (Athenai) ; 47(1): 32-48, 1990.
Artículo en Griego moderno | MEDLINE | ID: mdl-2130544

RESUMEN

In this clinico statistical study we tried to evaluate the program of education and the dental care provided by the clinic of Endodontics of the Athens University Dental School. The material for this study was the data from 2726 pulpless teeth. The endodontic treatment was done by the students of the 5th year at the Department of Endodontics during the year 1983-1987. The statistical analysis of the material of all the cases was based on: the possibility of perfect obluration of the root canal and the existence of periapical lesions in relation to the teeth group, the jaw and the age of the patient. The evaluation of the results proved that the education and treatment were satisfactory in quantity and quality. It was also found that the success of the obturation depended on the teeth group and had nothing to do with age. It was also found that the biggest percentage of periapical lesions concerned the anterior teeth.


Asunto(s)
Educación en Salud Dental/estadística & datos numéricos , Tratamiento del Conducto Radicular/estadística & datos numéricos , Adulto , Interpretación Estadística de Datos , Desvitalización de la Pulpa Dental/estadística & datos numéricos , Enfermedades de la Pulpa Dental/terapia , Grecia , Humanos , Enfermedades Periapicales/terapia
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