Hydrogen Bonding in Natural and Unnatural Base Pairs—A Local Vibrational Mode Study DOI Creative Commons

Nassim Beiranvand,

Marek Freindorf, Elfi Kraka

et al.

Molecules, Journal Year: 2021, Volume and Issue: 26(8), P. 2268 - 2268

Published: April 14, 2021

In this work hydrogen bonding in a diverse set of 36 unnatural and the three natural Watson Crick base pairs adenine (A)–thymine (T), (A)–uracil (U) guanine (G)–cytosine (C) was assessed utilizing local vibrational force constants derived from mode analysis, originally introduced by Konkoli Cremer as unique bond strength measure based on spectroscopy. The analysis complemented topological electronic density orbital analysis. most interesting findings our study are that (i) is not exceptionally strong (ii) N–H⋯N favorable both while O–H⋯N/O bonds less found at all pairs. addition, important role non-classical C–H⋯N/O for stabilization revealed, especially C–H⋯O Hydrogen modeled DNA via QM/MM approach showed environment increases central bonds, same time decreases N–H⋯O bond. However, general trends observed gas phase calculations remain unchanged. new methodology presented tested provides bioengineering community with an efficient design tool to assess predict type artificial

Language: Английский

Water structure, properties and some applications – A review DOI Creative Commons
Georgios M. Kontogeorgis,

Andrew Holster,

Nomiki Kottaki

et al.

Chemical Thermodynamics and Thermal Analysis, Journal Year: 2022, Volume and Issue: 6, P. 100053 - 100053

Published: March 20, 2022

Water is a fascinating substance with lots of properties not encountered in other compounds. It has been suggested that making use water's "anomalous" can lead to exciting applications various disciplines e.g. engineering, medicine and physiology. The origin these anomalous far from clear, the strong hydrogen bonds water being only part answer. Moreover, structure dynamics are entirely understood either new theories have appeared debated during 21st century. This review, aiming at broader/general audience, attempts review briefly some research trends related structure, applications. New experimental results for phenomena bridge exclusion zone also presented discussed. Various explanatory mechanisms reviewed proposal put forward. A –hopefully- unbiased discussion both "mainstream" unconventional future directions outlined.

Language: Английский

Citations

64

Oxygen-containing functional groups enhance uranium adsorption by aged polystyrene microplastics: Experimental and theoretical perspectives DOI

Zhenping Tang,

Feiyu Zhu,

Tianyun Jiang

et al.

Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 465, P. 142730 - 142730

Published: April 1, 2023

Language: Английский

Citations

38

Conformal Fixation Strategies and Bioadhesives for Soft Bioelectronics DOI
Jaejin Park, Hyun Woo Kim, Selin Lim

et al.

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: 34(22)

Published: Jan. 6, 2024

Abstract Flexible wearable and implantable devices are contributing to the healthcare field by enabling intuitive interfaces with tissues of human body through their thin form factors, which enable more accurate monitoring signals effective delivery therapy. The development such is accompanied an increasing interest in strategies technologies for conformally fixing adhering flexible biomedical place acquire high‐quality biosignals over a long period, even subtle movements target. Owing various mechanical properties wet or dynamic environments tissues, it necessary use different adhesion that consider biocompatibility cohesive each case. This paper provides in‐depth analysis recent bio‐adhesives practical applications classifying them into: 1) Conventional Fixation, 2) Mechanical 3) Chemical Adhesion, based on mechanism, 4) Functional Adhesion 5) Biomimetic unique properties. Furthermore, principles detailed mechanisms strategy design characteristics bioadhesives thoroughly reviewed provide valuable insights overall summary prospects challenges future technology.

Language: Английский

Citations

14

A perspective on molecular recognition technology for recovering critical metals from minerals and processing wastes DOI
Yan Huang,

Yongkang Qiu,

Ziwei Zhang

et al.

Separation and Purification Technology, Journal Year: 2024, Volume and Issue: 347, P. 127734 - 127734

Published: April 28, 2024

Language: Английский

Citations

11

From Fundamentals to Practice: Electrolyte Strategies for Zinc‐Ion Batteries in Extreme Temperature DOI Creative Commons
Tao Xue, Yongbiao Mu, Xian Yong Wei

et al.

Carbon Neutralization, Journal Year: 2024, Volume and Issue: 4(1)

Published: Nov. 24, 2024

ABSTRACT In the pursuit of advanced energy storage technologies that promote sustainable solutions, zinc‐ion batteries (ZIBs) have emerged as a promising alternative to lithium‐ion due their abundance, safety, and environmental advantages. However, failure mechanisms ZIBs under extreme temperatures are still not fully understood, presenting significant challenges development commercialization. Therefore, innovative strategies essential enhance adaptability temperature extremes. this review, we first explore thermodynamic kinetic aspects performance degradation temperatures, focusing on key factors such ion diffusion redox processes at electrode interfaces. We then comprehensively summarize discuss existing approaches for various electrolyte types, including aqueous, nonaqueous, solid state. Finally, highlight future prospects operating conditions. The insights presented in review expected accelerate advancement facilitate practical implementation large‐scale systems.

Language: Английский

Citations

10

Photo-enzyme-coupled catalysis for selective oxidation of 2,5-diformylfuran into 2,5-furandicarboxylic acid DOI
Chenxi Zhang,

Hongqing Zhao,

Peng Zhan

et al.

Green Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

This study introduces a photo-enzyme catalysis system for efficient DFF-to-FDCA conversion under mild conditions, achieving 84.14 ± 4.68% yield, with high selectivity and improved H 2 O handling.

Language: Английский

Citations

1

Recent progress in surgical adhesives for biomedical applications DOI Creative Commons
Kaikai Zheng, Qinhao Gu, Dong Zhou

et al.

Smart Materials in Medicine, Journal Year: 2021, Volume and Issue: 3, P. 41 - 65

Published: Dec. 2, 2021

The increasing demands for the management of hemostasis and tissue sealing drive development novel bioadhesives, which can overcome disadvantages conventional sutures such as additional damage, increased infection probability, body fluid/air leakage. Bioadhesives form a protective layer with seamless adhesion between injured tissues, thereby quickly closing wound creating appropriate microenvironments healing. In this review, recent advancement in bioadhesives made natural macromolecules (polysaccharides proteins, etc.) synthetic (cyanoacrylate, polyethylene glycol, polyurethane, have been summarized. gelation mechanisms that determine bioadhesive properties functions are highlighted, current clinical applications also discussed. Based on these findings, brief outlook future is explored.

Language: Английский

Citations

53

Interactive effects of micro/nanoplastics and nanomaterials/pharmaceuticals: Their ecotoxicological consequences in the aquatic systems DOI

Vignesh Thiagarajan,

Sruthi Ann Alex, R. Seenivasan

et al.

Aquatic Toxicology, Journal Year: 2021, Volume and Issue: 232, P. 105747 - 105747

Published: Jan. 19, 2021

Language: Английский

Citations

48

Dissecting Solvent Effects on Hydrogen Bonding DOI

Nicole Y. Meredith,

Stefan Borsley, Ivan V. Smolyar

et al.

Angewandte Chemie International Edition, Journal Year: 2022, Volume and Issue: 61(30)

Published: May 24, 2022

The experimental isolation of H-bond energetics from the typically dominant influence solvent remains challenging. Here we use synthetic molecular balances to quantify amine/amide H-bonds in competitive solvents. Over 200 conformational free energy differences were determined using 24 H-bonding 9 solvents spanning a wide polarity range. correlations between interaction energies and gas-phase computed exhibited wild solvent-dependent variation. However, excellent found same data following empirical dissection effects Hunter's α/β solvation model. In addition facilitating direct comparison computational data, changes fitted donor acceptor constants reveal secondary local interactions such as competing H-bonds.

Language: Английский

Citations

34

Cooperative Bifurcated Chalcogen Bonding and Hydrogen Bonding as Stereocontrolling Elements for Selective Strain-Release Septanosylation DOI Creative Commons

Wenpeng Ma,

Jan‐Lukas Kirchhoff, Carsten Strohmann

et al.

Journal of the American Chemical Society, Journal Year: 2023, Volume and Issue: 145(49), P. 26611 - 26622

Published: Nov. 30, 2023

The exploitation of noncovalent interactions (NCIs) is emerging as a vital handle in tackling broad stereoselectivity challenges synthesis. In particular, there has been significant recent interest the harnessing unconventional NCIs to surmount difficult selectivity glycosylations. Herein, we disclose an bifurcated chalcogen bonding and hydrogen (HB) network, which paves way for robust catalytic strategy into biologically useful seven-membered ring sugars. Through 13C nuclear magnetic resonance (NMR) situ monitoring, NMR titration experiments, density functional theory (DFT) modeling, propose remarkable contemporaneous activation multiple groups consisting mechanism working hand-in-hand with HB activation. Significantly, ester moiety installed on glycosyl donor critical establishment postulated ternary complex stereocontrol. kinetic isotopic effect studies, our data corroborated that dissociative SNi-type forms stereocontrolling basis excellent α-selectivity.

Language: Английский

Citations

21