Article
Chemistry, Physical
L. Slocombe, J. S. Al-Khalili, M. Sacchi
Summary: Proton transfer along hydrogen bonds in DNA can lead to short-lived point mutations, with the thermal populations of G*-C* mutations potentially playing a significant role in the replisome.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Asyeh Barkhoda, Alireza Nowroozi, Mohammad Reza Housaindokht
Summary: In this study, several models were proposed to estimate the energy of individual hydrogen bonds in traditional base pairs. The computational results showed that the energy in the first method is higher and the NHN interactions are stronger. Additionally, the calculated individual HB energies of the base pairs are similar to the compliance constant model.
STRUCTURAL CHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
Shuntaro Takahashi, Naoki Sugimoto
Summary: This study discusses the importance of Watson-Crick and non-Watson-Crick base pairs in nucleic acids, their effects on gene expression, and their roles in cells. The research reveals that factors affecting stability in cellular conditions significantly influence the stability of nucleic acid structures. The findings can be applied to the development of new technologies and the regulation of gene expression.
ACCOUNTS OF CHEMICAL RESEARCH
(2021)
Article
Chemistry, Analytical
Rodtichoti Wannapob, Surachada Chuaychob, Masahiro Fujita, Mizuo Maeda
Summary: Electrochemical impedance spectroscopy (EIS) was utilized to detect non-Watson-Crick base pairs of DNA, where a significant increase in charge-transfer resistance (Rct) was observed for terminal base mismatches but not internal base mismatches. Moreover, unpaired and overhang DNA at the terminal were found to hinder charge transfer to the electrode surface through EIS measurements. Additionally, the steric properties of DNA strands were successfully detected using EIS.
ANALYTICAL SCIENCES
(2021)
Article
Microbiology
Adam T. Smiley, Kassidy J. Tompkins, Matthew R. Pawlak, August J. Krueger, Robert L. L. Evans III, Ke Shi, Hideki Aihara, Wendy R. Gordon
Summary: This study investigates the structural and functional dependencies of the Rep protein from Muscovy duck circovirus on ssDNA interaction. It reveals that divalent cations and substrate Watson-Crick base pairing play important roles in Rep-mediated DNA cleavage and rejoining, with a universal requirement for replication initiation in circular Rep-encoding single-stranded DNA viruses.
Article
Chemistry, Multidisciplinary
Nana Zhang, Guike Zhang, Peng Shen, Hu Zhang, Dongwei Ma, Ke Chu
Summary: In this study, a single-atom Fe-doped V2O5 catalyst enriched with Lewis acid sites was designed for efficient NO3RR from the perspective of Lewis acid-base interaction. Mechanistic studies identified the formation of Lewis acid Fe-V pairs on Fe-V2O5, which synergistically activated NO3-, promoted hydrogenation energetics, and restrained hydrogen evolution, resulting in enhanced NO3RR activity and selectivity.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Multidisciplinary Sciences
Sara Seager, Janusz J. Petkowski, Maxwell D. Seager, John H. Grimes Jr, Zachary Zinsli, Heidi R. Vollmer-Snarr, Mohamed K. Abd El-Rahman, David S. Wishart, Brian L. Lee, Vasuk Gautam, Lauren Herrington, William Bains, Charles Darrow
Summary: The habitability of planets requires exploration beyond our Earth-centric viewpoint. Venus' clouds, composed of concentrated sulfuric acid, were previously thought to be incapable of supporting life. However, recent research demonstrates that key molecules needed for life, such as nucleic acid bases, can be stable in this environment. This finding advances the possibility that the Venus atmosphere may be able to support complex chemicals necessary for life.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Nanoscience & Nanotechnology
Jiulong Zhang, Xiaoyan Sun, Xiufeng Zhao, Lin Liu, Xin Cheng, Chunrong Yang, Haiyang Hu, Mingxi Qiao, Dawei Chen, Xiuli Zhao
Summary: In this study, a versatile noncationic miRNA vector was developed for cancer immunotherapy. The vector can reverse the tumor immunosuppressive microenvironment by downregulating the expression of IDO1. The multifunctional nano-complex not only inhibits tumor growth but also shows remarkable therapeutic effects on distant tumors.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Biochemistry & Molecular Biology
Soumi Das, Siddhartha Roy, Dhananjay Bhattacharyya
Summary: Recognition of DNA sequences by proteins is crucial for the survival of all organisms. The conformation of DNA can change significantly when bound by proteins, resulting in the formation of non-canonical base pairs. Quantum chemical calculations revealed that most non-canonical base pairs are stable even in the absence of interacting amino acids. However, the stability of the G:G Hoogsteen base pair depends on the presence of other stabilizing agents. This suggests that the selection of non-canonical base pairs in protein-DNA complexes may be influenced by pre-existing conformations.
Article
Chemistry, Multidisciplinary
Ol'ha O. Brovarets', Alona Muradova, Dmytro M. Hovorun
Summary: A comprehensive investigation was conducted on the physico-chemical mechanisms of 55 conformational transformations of biologically-important G·C nucleobase pairs. It was found that these pairs can transform into each other through non-planar transition states without changing the tautomeric status of the bases, with key involvement of intermolecular hydrogen bonds. The fast reactions are accompanied by disruption and formation of specific contacts between the bases.
Article
Chemistry, Multidisciplinary
Aigui Zhang, Dasharath Kondhare, Peter Leonard, Frank Seela
Summary: The study explores the molecular recognition of complementary purine and pyrimidine bases in the Watson-Crick coding system. Experimental results show that the introduction of specifically modified base pairs can alter the stability and global helical structure of double-stranded DNA. Introducing purine-purine base pairs can lead to novel molecular recognition patterns.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Physical
Mandira Dey, Paulami Ghosh, Atreyo Palit, Debashree Ghosh
Summary: The nucleic acid bases in DNA and RNA encode genetic information. Researchers are trying to increase the number of possible bases by adding functional groups and synthesizing new molecules for stability. Successful unnatural bases rely on ground state stability and biological functionality, but their photo-stability in excited states is also important for encoding information safely. This study investigates the excited and ionized states of some unnatural bases to understand their photo-stability.
THEORETICAL CHEMISTRY ACCOUNTS
(2023)
Article
Biochemistry & Molecular Biology
Ryohei Yamaji, Osamu Nakagawa, Yuki Kishimoto, Akane Fujii, Tomoki Matsumura, Taisuke Nakayama, Haruhiko Kamada, Takashi Osawa, Takao Yamaguchi, Satoshi Obika
Summary: This study demonstrates that using oligonucleotides (ONs) containing phenoxazine nucleobases can significantly enhance the therapeutic effect on mouse skeletal muscle diseases, which is of great importance for the treatment of skeletal muscle diseases.
BIOORGANIC & MEDICINAL CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Bernhard Lippert
Summary: This commentary discusses the distinction between nucleobase pairs and pairs of basic ligands, and highlights the potential issues with metal ion cross-linking.
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Analytical
Dinghui Xiong, Jie Cheng, Fengxiang Ai, Xinyu Wang, Jiaxuan Xiao, Fang Zhu, Kun Zeng, Kun Wang, Zhen Zhang
Summary: Adsorption of DNA probes onto nanomaterials has great potential for bioassay establishment. However, there is a lack of systematic understanding of the sensing behaviors based on nanomaterial-DNA interactions, limiting design and applications. In this study, metal-organic frameworks (MOFs) were used to investigate the issue. The results revealed the quenching of fluorescently labeled DNA adsorbed onto MOFs and provided insights into the interaction mechanisms.
ANALYTICAL CHEMISTRY
(2023)
Correction
Chemistry, Physical
Chen Luo, Yan Shao, Hua Yu, Hong-zhi Ma, Yu-hao Zhang, Long Gu, Bo Yin, Ming-bo Yang
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Stefano Borocci, Armando Camerlingo, Felice Grandinetti, Maria Rutigliano, Nico Sanna
Summary: The complexes of He, Ne, Ar, Kr, and Xe with B3N3H6 were investigated using MP2, CCSD(T), and SAPT ab initio methods. The complexes can be described as mono-, di-, and tri-coordinated to the N atoms, with stability following the order N-mono < N-di < N-tri. The interactions are dominated by dispersion and the binding energies are within the range of 1 or 2 kcal mol(-1). The results were compared with a recent DFT study on larger BN sheets complexes [Phys. Chem. Chem. Phys. 24 (2022) 2554-2566.].
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
V. Nagarajan, R. Bhuvaneswari, R. Chandiramouli
Summary: In this study, stable phosphoborane was used as a sensor to detect isobutane and n-propane in Liquefied Petroleum Gas (LPG). Phosphoborane demonstrated structural stability and semiconducting nature, and exhibited promising adsorption properties for the LPG molecules.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xiaoxi Xu, Zijiang Yang, Bayaer Buren, Maodu Chen
Summary: In this study, the time-dependent wave packet method was used to investigate the reaction channels and mechanisms of Ca+ + HD. The results show that the CaH+ + D reaction channel plays a primary role, which is consistent with experimental results. Complex forming and direct-abstraction reaction mechanisms exist in this reaction process.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Keshab Pandey, Hae Kyung Jeong
Summary: A free-standing silicon-carbon nanofiber composite film was synthesized and investigated for supercapacitor applications. It exhibited high specific capacitance, energy density, and power density. After 5000 cycles, the film showed excellent specific capacitance retention and Coulombic efficiency.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xinyu Zhang, Haosong Li, Xiaoyu Cao, Jing Gao, Yong Wei, Jianzhuo Zhu
Summary: The evaporation behavior of nanosized water aggregations on two-dimensional electroneutral solid surfaces with different surface polar unit densities was investigated. The results showed that the evaporation rate changes non-monotonically with the surface polar unit density, and the minimum evaporation rate is obtained when the surface has a modest surface polar unit ratio of 66.7%.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Yanyan Xu, Rui Dai, Xiaojie Wang, Zhijun Qiao, Haowei Wen, Dianbo Ruan, Yuzuo Wang
Summary: This article presents an innovative solvothermal sodium insertion method for synthesizing Triphylite-NaFePO4, which demonstrates optimal electrochemical performance in sodium-ion batteries.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Meiyi Jiang, Kun Yang, Yancheng Liu, Li Yao
Summary: The geometric structure and electronic properties of transition metal M (M = Cu, Fe, Mn)-TiO2 (101) surface adsorbed by NO2 and N2O were calculated by density functional theory (DFT) and DFT + U theory. The results showed that the adsorption of NO2 and N2O on Mn and Fe atoms is more stable, and a large number of active electrons are formed around these atoms, facilitating the catalytic reactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Sergey A. Vyrko, Yulia G. Polynskaya, Nikita A. Matsokin, Andrey M. Popov, Andrey A. Knizhnik, Nikolai A. Poklonski, Yurii E. Lozovik
Summary: In this study, carbon nanobracelets, which are cyclic molecules composed of alternating polycyclic regions and double carbon chains, were investigated using spin-polarized density functional theory. The results show that carbon nanobracelets with odd number of monomers exhibit distinct electronic energy levels, band gaps, and carbon chain deformation compared to those with even number of monomers.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Chanchan Wang, Quan Yang, Yanzhi Ding, Xiaoyong Lu, Dong Tian
Summary: It has been found that the introduction of buffer layers improves the electrical performance of solid oxide fuel cells (SSOFCs). In this study, varying ratios of Gd-doped CeO2 were used as buffer layers in YSZ-based SSOFCs. The results demonstrate that the performance of SSOFCs is enhanced when a buffer layer is added, with the highest performance achieved using Ce0.8Gd0.2O2-delta (GDC20) as the buffer layer. This suggests that the use of GDC series buffer layers is an attractive strategy to optimize performance loss due to electrolyte-electrode interactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Wang Li, Yi-Fan Zhang, Jia-Bin Huang, Chang-Yang Wang, Feng Zhang, Jiu-Zhong Yang, Long Zhao
Summary: The gas-phase reaction of propargyl with vinylacetylene was investigated using synchrotron photoionization and molecular-beam mass spectrometry methodologies. The formation mechanisms of the resulting cyclic structures were examined using quantum computations. Two previously unidentified isomers were detected and identified for the first time.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Avijit Pramanik, Sanchita Kundu, Olorunsola Praise Kolawole, Kaelin Gates, Paresh Chandra Ray
Summary: This study investigates the influence of aspect ratio and quantum confinement on the single-photon and two-photon absorption cross-section of perovskite CsPbI3 nanorods. Experimental data shows that CsPbI3 nanorods have an extremely high two-photon absorption cross-section, significantly surpassing organic chromophores and other CsPbBr3 nanocrystals. Moreover, adjusting the aspect ratio can significantly enhance the absorption ability. Additionally, the study also reveals a moderate quantum confinement effect on the single-photon and two-photon absorption cross-section of the nanorods.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Hyon-Tae Pak, Jin-A Choe, Kyong-Sik Ju, Yong -Son Rim
Summary: Drug-loaded cellulose diacetate (CDA) membranes were prepared using different compositions of mixed solvent. The microstructure and performance of the membranes were investigated, and a method to predict drug release properties was proposed. The results showed that the composition of the mixed solvent significantly affected the overall performance of CDA membranes, and the release rates of drugs were related to Δdelta and the intrinsic viscosity of CDA.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Gabriella E. Ravin, E. Curotto
Summary: We have developed a systematic approach to optimize the training set sizes for neural networks in fitting ab initio potential energy surfaces. Using this approach, we have constructed several spectroscopic quality potential energy surfaces for [Li(H2)n]+, n = 1 - 9. The ground state properties have been computed for all the systems and selected states.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Guohua Xu, Lei Xu, Feng Zhang, Chunling Yu, Yu Song
Summary: NiS1.03@Ni7S6/carbon composite was successfully prepared using corn stalk as a carbon source via a simple adsorption-sulphurization process. The composite exhibited a specific capacitance of 1554.6 F/g at 1 A/g as a supercapacitor electrode, with a capacitance retention rate of 80.4% after 5000 cycles. Furthermore, the NiS1.03@Ni7S6/carbon//AC asymmetric supercapacitor showed a high energy density of 41.2 Wh kg-1 at a power density of 750 W kg-1, and excellent cycling stability with 86.8% capacitance retention after 10,000 cycles.
CHEMICAL PHYSICS LETTERS
(2024)