Article
Chemistry, Multidisciplinary
Baoling Tian, Yizhou Fang, Shulai Lei, Ke Xu, Chaozheng He, Shujuan Li, Hao Ren
Summary: By using systematic structural and ultrafast resonance Raman (RR) spectral analysis, the prominent marker Raman bands for the four possible conformers of guanine-cytosine base pairs were identified. The hydrogen bonding vibrational region from 2300 cm -1 to 3700 cm -1 was found to be ideal for the identification of these short-lived species. The marker bands provide direct evidence for the existence of tautomer species, offering an effective strategy to detect minor species. Ultrafast resonance Raman spectroscopy can provide direct evidence of critical dynamical details of complex systems involving protonation or tautomerization.
CHINESE CHEMICAL LETTERS
(2023)
Article
Chemistry, Physical
Ye-Guang Fang, Danillo Valverde, Sebastian Mai, Sylvio Canuto, Antonio Carlos Borin, Ganglong Cui, Leticia Gonzalez
Summary: The excited-state properties and relaxation mechanisms of 6-selenoguanine after light irradiation in water and DNA are investigated using a QM/MM approach with MS-CASPT2 method, revealing similar behaviors but faster S-2 -> S-1 internal conversion in DNA due to a steeper potential energy surface.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Biochemistry & Molecular Biology
Shuhei Nishizawa, Gaohong Tu, Daisuke Ogata, Kouichiro Miyauchi, Akihiro Ohkubo
Summary: In this study, modified bases that can recognize T-A base pairs were developed by introducing quinoline derivatives into antiparallel TFOs. The ability of these modified bases to form triplexes and discriminate between base pairs was evaluated.
BIOORGANIC & MEDICINAL CHEMISTRY
(2022)
Article
Energy & Fuels
Andressa L. S. Resende, Antonio G. R. Costa, Aline E. B. Lima, Maria J. S. Costa, Elson Longo, Laecio S. Cavalcante, Reginaldo S. Santos
Summary: This article presents a solar cell composed of Cu2O and γ-WO3 films connected by a redox electrolyte, showing better performance with the I-/I3-redox pair. The method proposed here provides a new, promising, and simple approach for preparing solar cells with pn-junctions.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Biochemistry & Molecular Biology
Rosa M. Gomila, Antonio Frontera, Antonio Bauza
Summary: Understanding the binding preferences in supramolecular complex formation is crucial for the study of molecular recognition and aggregation in biology. The halogenation of nucleic acids has been widely used in X-ray diffraction analysis, expanding the noncovalent interactions beyond hydrogen bonds. By analyzing the Protein Data Bank, we found 187 structures involving halogenated nucleic acids, allowing us to investigate the strength and binding preferences of halogenated base pairs. Computation and theoretical modeling tools were employed to characterize the hydrogen bond and halogen bond complexes studied in this research.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Materials Science, Multidisciplinary
Li Sun, Tianyu Zhao, Jie Qiu, Yangting Sun, Weihua Li, Haibing Zheng, Zhifeng Lin, Si Chen, Yiming Jiang, Jin Li, Digby D. Macdonald
Summary: A mixed potential model (MPM) comprising the Point Defect Model (PDM) and the Generalized Butler Volmer Equation (GBVE) was successfully developed to study the passivity of HDSS 2707. The results showed that the Mn+i was the dominant point defect within the passive film, leading to n-type semiconductor behavior of the barrier layer. The anodic current was independent of the film formation potential but increased with temperature following the Arrhenius law. The partial cathodic current of hydrogen reaction was influenced by the applied voltage. The anodizing constant of the passive film was calculated to be 2.91 nm/V.
Article
Telecommunications
Kwonhue Choi
Summary: This letter addresses a critical issue in applying OFDM to a full-duplex cellular system and proposes using FBMC as an alternative solution. The study shows that spectral leakage interference from uplink signals is the key performance-limiting factor, with FBMC-based systems outperforming other waveforms by achieving almost interference-free performance.
IEEE COMMUNICATIONS LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Alvaro A. Omana, Rachel K. Green, Ryo Kobayashi, Yingjie He, Evan R. Antoniuk, Michael J. Ferguson, Yuqiao Zhou, Jonathan G. C. Veinot, Takeaki Iwamoto, Alex Brown, Eric Rivard
Summary: This study presents a method to stabilize silicon(II) and germanium(II) dihydrides using an intramolecular Frustrated Lewis Pair (FLP) ligand, PB. The resulting hydride complexes are indefinitely stable at room temperature and can deposit silicon and germanium films upon mild thermolysis. Overall, this work introduces a closed-loop deposition strategy for semiconductors, reducing the reliance on harsh reagents or high temperatures.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Multidisciplinary Sciences
Yanpeng Li, Shidong Zhu, Jun Xian, Xuanpeng Li, Yuqin Zhao, Shusen Wang
Summary: The research examines the effect of temperature on the corrosion behavior of 2205 duplex stainless steel in a simulated solution, showing that higher temperatures lead to increased pitting sensitivity.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Physical
Marta Zaleskaya-Hernik, Elzbieta Megiel, Jan Romanski
Summary: A novel polymer with synthetic ion pair receptors was reported, which can effectively capture and remove sulfate salts from aqueous sources during liquid-liquid extraction. The polymer's feasibility and selectivity were demonstrated by incorporating the synthetic receptors into the polymer chain and conducting experimental studies. The salt binding mechanism of the polymer was revealed through solid-liquid extraction experiments and characterization analysis.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Polymer Science
Jingkai Liu, Lijun Cao, Jinyue Dai, Yunyan Peng, Xiaoqing Liu
Summary: The conversion of polybenzoxazine (PBZ) into polybenzoxazole (PBO) can occur at higher temperatures when an ortho-amide group is introduced into the benzoxazine monomer. The presence of hydrogen bonding involving the amide group, pyridine ring, and oxazine ring was confirmed, influencing the conversion temperature. The proposed mechanism of PBO formation was systematically investigated based on these findings.
Article
Chemistry, Medicinal
Jacqueline Gamboa Varela, Luke E. Pierce, Xu Guo, Nathan E. Price, Kevin M. Johnson, Zhiyu Yang, Yinsheng Wang, Kent S. Gates
Summary: Interstrand cross-link formation in duplex DNA can be pH-dependent and stable, with cytosine playing a role in forming cross-links with an AP site. Different nucleobase cross-links can coexist in dynamic equilibrium in some sequences, and the presence of a reducing agent can shift the equilibrium towards the formation of specific cross-links.
CHEMICAL RESEARCH IN TOXICOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Lin Ma, Chunyu Ma, Siqi Zhang, Jianqiao Li, Linlin Gan, Ke Deng, Wubiao Duan, Xiaokang Li, Qingdao Zeng
Summary: Based on previous research, a new coassembly formed by a porphyrin derivative (IPETPP) with a flexible substituent of m-phthalic acid and coronene (COR) molecules is observed at higher concentrations. Additionally, a fresh IPETPP self-assembly formed at lower concentrations and another new coassembly with COR molecules are obtained. The addition of bipyridines alters the diamond arrangement of IPETPP and enhances the stability of the two-component structures.
Article
Biochemistry & Molecular Biology
Koki Matsumoto, Noriko Saito-Tarashima, Tomoya Wada, Orie Yonaha, Noriaki Minakawa
Summary: Furanopyrimidine and 2,6-diamino-3-deazapurine nucleosides with different hydrogen bonding patterns were prepared. The N-1 pK(a) value of (DCPu)-Pu-3 nucleoside indicates that it acts as a base interacting in a DDD hydrogen bonding pattern. However, the thermal stability of an ODN duplex containing a (DCPu)-Pu-3:FPy pair is lower than that of a G:C pair.
NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS
(2022)
Article
Materials Science, Multidisciplinary
Daxing Huang, Hongjing Shang, Taiguang Li, Bowei Xie, Qi Zou, Hongwei Gu, Zhifeng Ren, Fazhu Ding
Summary: This study presents a novel method to fabricate a superconducting joining between YBCO coated conductors with large current capacities, achieving more than 90% retention of critical current. The use of an Ag layer in the joining strap promotes the recovery of superconductivity during oxygenation annealing, resulting in superior superconducting performance through optimized atomic alignment at the joined YBCO interface.
MATERIALS TODAY PHYSICS
(2021)