Telomere structure and stability: covalency in hydrogen bonds, not resonance assistance, causes cooperativity in guanine quartets

C Fonseca Guerra, H Zijlstra, G Paragi… - … A European Journal, 2011 - Wiley Online Library
We show that the cooperative reinforcement between hydrogen bonds in guanine quartets is
not caused by resonance‐assisted hydrogen bonding (RAHB). This follows from extensive …

Exploring non-covalent interactions in guanine-and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach

YP Yurenko, J Novotný, V Sklenář… - Physical Chemistry …, 2014 - pubs.rsc.org
The study aimed to cast light on the structure and internal energetics of guanine-and
xanthine-based model DNA quadruplexes and the physico-chemical nature of the non …

Application of aluminum hydroxide for improvement of label-free SERS detection of some cephalosporin antibiotics in urine

NE Markina, AV Markin - Biosensors, 2019 - mdpi.com
This report is dedicated to development of surface-enhanced Raman spectroscopy (SERS)
based analysis protocol for detection of antibiotics in urine. The key step of the protocol is …

Diphenylalanine motif drives self‐assembling in hybrid PNA‐peptide conjugates

C Diaferia, C Avitabile, M Leone, E Gallo… - … A European Journal, 2021 - Wiley Online Library
Peptides and nucleic acids can self‐assemble to give supramolecular structures that find
application in different fields, ranging from the delivery of drugs to the obtainment of …

Computational estimation of the acidities of purines and indoles

KL Geremia, PG Seybold - Journal of Molecular Modeling, 2019 - Springer
Purines and related compounds are central ingredients in the genetic code and form the
structural framework for many drugs and other bioactive compounds. A key feature of these …

Xanthine quartets on Au (111)

C Chen, H Sang, P Ding, Y Sun, M Mura… - Journal of the …, 2018 - ACS Publications
The quartet of xanthine (X), a purine base ubiquitously distributed in most human body
tissues and fluids, has been for the first time fabricated and visualized, as the first alternative …

Nucleic acid quadruplexes based on 8-Halo-9-deazaxanthines: energetics and noncovalent interactions in quadruplex stems

YP Yurenko, J Novotny, MP Mitoraj… - Journal of Chemical …, 2014 - ACS Publications
Structural and energetic features of artificial DNA quadruplexes consisting of base tetrads
and their stacks with Na+/K+ ion (s) inside the central pore and incorporating halogenated …

Determination of the structural, electronic, optoelectronic and thermodynamic properties of the methylxanthine molecules theophylline and theobromine

GW Ejuh, JMB Ndjaka, F Tchangnwa Nya… - Optical and quantum …, 2020 - Springer
Abstract RHF and DFT (wB97XD and B3LYP) methods with the 6-31++ G** basis set have
been used to study structural, optoelectronic and thermodynamic properties of Theophylline …

Weak Supramolecular Interactions Governing Parallel and Antiparallel DNA Quadruplexes: Insights from Large‐Scale Quantum Mechanics Analysis of Experimentally …

YP Yurenko, J Novotný, R Marek - Chemistry–A European …, 2017 - Wiley Online Library
The topology and energetics of guanine (G) quadruplexes is governed by supramolecular
interactions within their strands. In this work, an extensive quantum mechanical (QM) study …

Designing a New Class of Bases for Nucleic Acid Quadruplexes and Quadruplex‐Active Ligands

S Bazzi, J Novotný, YP Yurenko… - Chemistry–A European …, 2015 - Wiley Online Library
A new class of quadruplex nucleobases, derived from 3‐deazaguanine, has been designed
for various applications as smart quadruplex ligands as well as quadruplex‐based …