[HTML][HTML] Tight-binding modeling of nucleic acid sequences: Interplay between various types of order or disorder and charge transport

K Lambropoulos, C Simserides - Symmetry, 2019 - mdpi.com
This review is devoted to tight-binding (TB) modeling of nucleic acid sequences like DNA
and RNA. It addresses how various types of order (periodic, quasiperiodic, fractal) or …

[图书][B] Quasicrystals: fundamentals and applications

E Maciá-Barber - 2020 - books.google.com
This book provides an interdisciplinary guide to quasicrystals, the 2011 Nobel Prize in
Chemistry winning topic, by presenting an up-to-date and detailed introduction to the many …

Predicting the DNA conductance using a deep feedforward neural network model

A Aggarwal, V Vinayak, S Bag… - Journal of Chemical …, 2020 - ACS Publications
Double-stranded DNA (dsDNA) has been established as an efficient medium for charge
migration, bringing it to the forefront of the field of molecular electronics and biological …

[HTML][HTML] Bifocal diffractive lenses based on the aperiodic Kolakoski sequence

A Garmendía-Martínez, FM Muñoz-Pérez, WD Furlan… - Scientific Reports, 2024 - nature.com
In this work, we present a new family of Zone Plates (ZPs) designed using the self-
generating Kolakoski sequence. The focusing and imaging properties of these aperiodic …

Effects of structural dynamics on charge carrier transfer in B-DNA: a combined MD and RT-TDDFT study

M Mantela, A Morphis, K Lambropoulos… - The Journal of …, 2021 - ACS Publications
Hole transfer along the axis of duplex DNA has been the focus of physical chemistry
research for decades, with implications in diverse fields, from nanotechnology to cell …

Charge transport in a multiterminal DNA tetrahedron: Interplay among contact position, disorder, and base-pair Mismatch

PJ Hu, SX Wang, XF Chen, XH Gao, TF Fang… - Physical Review …, 2022 - APS
As a secondary structure of DNA, DNA tetrahedra exhibit intriguing charge-transport
phenomena and provide a promising platform for wide applications like biosensors, as …

Order amidst disorder for two-dimensional nanoribbons with various boundary conditions

MA Novotny, G Inkoom, T Novotný - Europhysics Letters, 2023 - iopscience.iop.org
We show quantum systems with disordered Hamiltonians may exhibit order in commonly
measured quantities. This counter-intuitive situation is demonstrated using a conventional …

[HTML][HTML] Quasi-periodic and fractal polymers: Energy structure and carrier transfer

M Mantela, K Lambropoulos, M Theodorakou… - Materials, 2019 - mdpi.com
We study the energy structure and the coherent transfer of an extra electron or hole along
aperiodic polymers made of N monomers, with fixed boundaries, using B-DNA as our …

[HTML][HTML] Charge transport properties of ideal and natural DNA segments, as mutation detectors

M Mantela, K Lambropoulos… - Physical Chemistry …, 2023 - pubs.rsc.org
DNA sequences of ideal and natural geometries are examined, studying their charge
transport properties as mutation detectors. Ideal means textbook geometry. Natural means …

[HTML][HTML] LCAO Electronic Structure of Nucleic Acid Bases and Other Heterocycles and Transfer Integrals in B-DNA, including Structural Variability

M Mantela, C Simserides, R Di Felice - Materials, 2021 - mdpi.com
To describe the molecular electronic structure of nucleic acid bases and other heterocycles,
we employ the Linear Combination of Atomic Orbitals (LCAO) method, considering the …