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The oxidative damage of DNA is a compelling issue in molecular biophysics as it plays a vital role in the epigenetic control of gene expression and is believed to be associated with mutagenesis, carcinogenesis, and ageing. To understand the…

Biological Physics · Physics 2022-10-19 Khadka B. Chhetri , Supriyo Naskar , Prabal K. Maiti

Unimolecular current rectifiers are fundamental building blocks in organic electronics. Rectifying behavior has been identified in numerous organic systems due to electron-hole asymmetries of orbital levels interfaced by a metal electrode.…

Mesoscale and Nanoscale Physics · Physics 2026-02-23 Niklas Friedrich , Jingcheng Li , Iago Pozo , Diego Peña , José Ignacio Pascual

The radiation-induced damages in bio-molecules are ubiquitous processes in radiotherapy, radio-biology and critical to space-projects. In this study we present a precise quantification of the fragmentation mechanisms of deoxyribonucleic…

Biological Physics · Physics 2022-01-28 Santosh KC , Ramin Abolfath

Fast, reliable and inexpensive DNA sequencing is an important pursuit in healthcare, especially in personalized medicine with possible deep societal impacts. Despite significant progress of various nanopore-based sequencing configurations,…

We employ a large scale molecular simulation based on bond-order ReaxFF to simulate the chemical reaction and study the damage to a large fragment of DNA-molecule in the solution by ionizing radiation. We illustrate that the randomly…

Biological Physics · Physics 2016-09-28 Ramin M. Abolfath , A. C. T. van Duin , Thomas Brabec

Molecular electronics originally proposed that small molecules sandwiched between electrodes would accomplish electronic functions and enable to reach ultimate scaling. However, so far, functional molecular devices have been only…

Mesoscale and Nanoscale Physics · Physics 2016-10-10 Jorge Trasobares , Dominiqe Vuillaume , Didier Théron , Nicolas Clement

We present a multi-scale simulation of early stage of DNA damages by the indirect action of hydroxyl ($^\bullet$OH) free radicals generated by electrons and protons. The computational method comprises of interfacing the Geant4-DNA Monte…

Biological Physics · Physics 2015-06-17 Ramin M. Abolfath , David J. Carlson , Zhe J. Chen , Ravinder Nath

Synthetic DNA approaches 227.5 exabytes per gram of storage density with stability over millennial timescales. Realising this capacity requires error-correction codes that recover data from substantial synthesis and sequencing errors.…

Information Theory · Computer Science 2026-04-23 James L. Banal

DNA-based storage is an emerging technology that enables digital information to be archived in DNA molecules. This method enjoys major advantages over magnetic and optical storage solutions such as exceptional information density, enhanced…

Information Theory · Computer Science 2024-03-13 Daniella Bar-Lev , Itai Orr , Omer Sabary , Tuvi Etzion , Eitan Yaakobi

We propose two-terminal devices for DNA sequencing which consist of a metallic graphene nanoribbon with zigzag edges (ZGNR) and a nanopore in its interior through which the DNA molecule is translocated. Using the nonequilibrium Green…

Mesoscale and Nanoscale Physics · Physics 2012-01-26 Kamal K. Saha , Marija Drndic , Branislav K. Nikolic

Devices for nano- and molecular size electronics are currently a focus of research aimed at an efficient current rectification and switching. A few generic molecular scale devices are reviewed here on the basis of first-principles and model…

Soft Condensed Matter · Physics 2015-06-25 A. M. Bratkovsky

The transcription factor p53 is an important regulator of cell fate. Mutations in p53 gene are associated with many cancers. In response to signals such as DNA damage, p53 controls the transcription of a series of genes that cause cell…

Molecular Networks · Quantitative Biology 2007-05-23 Vijay Chickarmane , Ali Nadim , Animesh Ray , Herbert M. Sauro

DNA nanotechnology promises to provide controllable self-assembly on the nanoscale, allowing for the design of static structures, dynamic machines and computational architectures. In this article I review the state-of-the art of DNA…

Soft Condensed Matter · Physics 2015-07-13 Thomas E. Ouldridge

Understanding the damage of DNA bases from hydrogen abstraction by free OH radicals is of particular importance to reveal the effect of hydroxyl radicals produced by the secondary effect of radiation. Previous studies address the problem…

Computational Physics · Physics 2016-09-28 Ramin M. Abolfath , P. K. Biswas , R. Rajnarayanam , Thomas Brabec , Reinhard Kodym , Lech Papiez

Electrical current rectification is an interesting electronic feature, popularly known as a diode. Achieving a high rectification ratio in a molecular junction has been a long-standing goal in molecular electronics. The present work…

DNA is emerging as an increasingly attractive medium for data storage due to a number of important and unique advantages it offers, most notably the unprecedented durability and density. While the technology is evolving rapidly, the…

Emerging Technologies · Computer Science 2022-05-03 Dehui Lin , Yasamin Tabatabaee , Yash Pote , Djordje Jevdjic

The flexibility and stiffness of small DNA play a fundamental role ranging from several biophysical processes to nano-technological applications. Here, we estimate the mechanical properties of short double-stranded DNA (dsDNA) having length…

Soft Condensed Matter · Physics 2021-07-09 Supriyo Naskar , Prabal K. Maiti

We propose a novel molecular computing approach based on reservoir computing. In reservoir computing, a dynamical core, called a reservoir, is perturbed with an external input signal while a readout layer maps the reservoir dynamics to a…

Neural and Evolutionary Computing · Computer Science 2019-11-12 Alireza Goudarzi , Matthew R. Lakin , Darko Stefanovic

We propose a novel theoretical biomolecular design to implement any Boolean circuit using the mechanism of DNA strand displacement. The design is scalable: all species of DNA strands can in principle be mixed and prepared in a single test…

Other Computer Science · Computer Science 2015-05-18 Ehsan Chiniforooshan , David Doty , Lila Kari , Shinnosuke Seki

Recently, some authors have shown that a DNA molecule produces electromagnetic signals and communicates with other DNA molecules or other molecules. In fact, a DNA acts like a receiver or transmitter of radio waves. In this paper, we…

Biological Physics · Physics 2018-08-03 Alireza Sepehri
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