Article
Chemistry, Physical
Nandan Kumar, Soumen Saha, G. Narahari Sastry
Summary: Chemical bonds are crucial in chemistry, biology, and related fields. A new criterion has been developed based on topological parameters to accurately characterize non-covalent bonds. The analysis of backward difference (2)rho and H(r) values in the topological parameters is effective in distinguishing non-covalent bonds and those with partially covalent nature.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Xiankai Jiang, Junjian Miao, Yi Gao
Summary: The spontaneous interconversion between covalent forces and noncovalent counterparts remains a mystery. This study discovered a transformation through halogen bonding using NI3 as a prototype and provided insights into the electronic structure basis and gradual transformation of this interconversion.
Article
Physics, Applied
Xinchen Peng, Lei Xiao, Xinbang Liu, Yinyue Qian, Yonghao Zhang, Wei Jiang, Qingmin Ji, Harald Fuchs, Huihui Kong
Summary: The fabrication of non-covalent graphene analogs on surfaces through self-assembly provides a more effective and scalable approach compared to atomic manipulation, showing potential in modulating the electronic properties.
APPLIED PHYSICS LETTERS
(2022)
Review
Chemistry, Inorganic & Nuclear
Shenshan Zhan, Jiajun Jiang, Zhanghua Zeng, Yan Wang, Haixin Cui
Summary: This review presents the synthesis of DNA-templated coinage metal nanostructures (CMNs) and their applications in bioanalysis and biomedicine. The field shows great potential in ion detection, nucleic acid detection, enzyme detection, biomolecule detection, and bioimaging.
COORDINATION CHEMISTRY REVIEWS
(2022)
Article
Psychology, Multidisciplinary
Federico Gallo, Keerthi Ramanujan, Yury Shtyrov, Andriy Myachykov
Summary: Language serves as a universal tool for communication and interaction in human society, with sociocultural and contextual factors strongly influencing linguistic experiences, especially in bilingual contexts. This perspective piece focuses on non-pathological first-language attrition, which is closely related to immersion in non-L1 environments, and suggests examining it as a form of bilingual experience, particularly in relation to its neurocognitive bases.
FRONTIERS IN PSYCHOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Luis E. Seijas, Cesar H. Zambrano, Rafael Almeida, Jorge Ali-Torres, Luis Rincon, Fernando Javier Torres
Summary: QTAIM and source function analysis were used to investigate non-covalent bonding in different water clusters. The analysis revealed a diverse range of O-HMIDLINE HORIZONTAL ELLIPSISO interactions, with significant differences observed in 3-D clusters. The evaluation of the source function demonstrated that weak interactions have more spread atomic contributions, while strong interactions have more localized atomic contributions. These findings suggest that the nature of O-HMIDLINE HORIZONTAL ELLIPSISO hydrogen bonds in water clusters is influenced by the spatial arrangement of water molecules.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Mateusz Pokora, Agata Paneth, Piotr Paneth
Summary: In this Perspective, examples of isotope effects originating from noncovalent interactions, such as hydrogen bonding, electrostatics, and confinement, are presented. These effects have been traditionally used in isotopic enrichment processes and studying mechanisms of (bio)chemical and physical phenomena. The article also explores the emerging applications of isotope effects in medical and material sciences, highlighting the need for new effective techniques for isotopic purification.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Biochemistry & Molecular Biology
Sladana Dordevic, Slavko Radenkovic, Sason Shaik, Benoit Braida
Summary: This article analyzes the nature of the chemical bond in coinage metal halides using high-level ab initio Valence Bond (VB) theory. The bonds are found to have a large Charge-Shift Bonding character, which is attributed to the interaction between the bond pair and the filled semicore d shell of the metal, resulting in a significant Pauli pressure. Gold-halide bonds are pure Charge-Shift Bonds (CSBs), copper halides are polar-covalent bonds, and silver halides lie in between. Fluorine exhibits the highest CSB character due to the largest Pauli pressure exerted by its sigma lone pair. Additionally, all these bonds demonstrate a secondary but non-negligible pi bonding character, which is quantified in the VB calculations.
Article
Polymer Science
Laura Nicolle, Celine M. A. Journot, Sandrine Gerber-Lemaire
Summary: Chitosan, a natural biopolymer, has attracted great interest in research fields due to its biocompatibility, biodegradability, and mechanical properties. Various types of chemical modifications, including covalent and non-covalent methods, have been applied to improve its properties. Characterization techniques for chitosan derivatives are also important in determining their composition and physical properties.
Article
Biochemistry & Molecular Biology
Al Mokhtar Lamsabhi, Otilia Mo, Manuel Yanez
Summary: The study indicates that the strength of intramolecular hydrogen bonds in amino-alcohol molecules is influenced by the position of substituents, with a strengthening effect observed when halogen atoms substitute the alpha position of the hydroxyl group and a weakening effect when they substitute the alpha position of the amino group. Additionally, interaction with BeF2 results in a significant increase in the strength of the hydrogen bonds, but may also lead to the replacement of hydrogen bonds by beryllium bonds.
Editorial Material
Endocrinology & Metabolism
Mark A. Herman
Summary: Experts controversially proposed renaming non-alcoholic fatty liver disease as 'metabolic associated fatty liver disease' in 2020 due to its strong association with obesity and cardiometabolic disease. New studies have identified genetic and dietary modifiers of the disease, which are crucial for improving diagnosis, risk-stratification, and treatment.
NATURE REVIEWS ENDOCRINOLOGY
(2021)
Article
Chemistry, Inorganic & Nuclear
Ibon Alkorta, Nicholas R. Walker, Anthony C. Legon
Summary: The strength of non-covalent interactions between copper, silver, gold, and simple Lewis bases has been systematically studied, revealing unique relationships between the equilibrium geometry, dissociation energy, and stretching force constant. While the relationship between D-e and k(sigma) may not be proportional, a general expression involving nucleophilicities and electrophilicities has been determined. The electrophilicity order among the studied Lewis acids has been established and a reduced electrophilicity parameter has been introduced for further analysis.
Article
Business, Finance
Chih-Chiang Wu, Wei-Peng Chen
Summary: This study examines the impact of ETF names on the abnormal returns of constituent stocks, specifically focusing on U.S. AI ETFs. The results indicate that ETFs with AI names generate higher cumulative abnormal returns for their constituent stocks, suggesting the presence of name premiums in the market.
FINANCE RESEARCH LETTERS
(2022)
Review
Microbiology
Mads Lichtenberg, Tom Coenye, Matthew R. Parsek, Thomas Bjarnsholt, Tim Holm Jakobsen
Summary: In vitro biofilms are distinct microbial communities characterized by physical traits, phenotypic features, and antibiotic tolerance. The importance of these traits varies depending on the environment and bacterial species. Mechanisms enabling antibiotic resistance in biofilms include physical barriers, physiological adaptations, and changes in gene expression. However, there is little consensus on gene expression profiles in biofilms, and a definitive "biofilm signature transcriptome" has not been identified. Spatial and temporal variability in biofilms greatly differs across systems or environments. Clinical biofilms may differ from those cultivated in laboratories and found in the environment, emphasizing the need for a better understanding of their characteristics.
FEMS MICROBIOLOGY REVIEWS
(2023)
Article
Psychology, Multidisciplinary
Gakuji Kumagai
Summary: This study explores the linguistic features associated with "kawaii" and finds that the features of [labial], [high frequency], and [sonorant] are associated with "kawaii". The findings have practical implications for naming anime characters and products characterized by "kawaii".
FRONTIERS IN PSYCHOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Dror M. Bittner, Daniel P. Zaleski, David P. Tew, Nicholas R. Walker, Anthony C. Legon
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2016)
Article
Chemistry, Physical
Graham. A. Cooper, Chris Medcraft, Josh D. Littlefair, Thomas J. Penfold, Nicholas R. Walker
JOURNAL OF CHEMICAL PHYSICS
(2017)
Article
Chemistry, Physical
Chris Medcraft, Eva Gougoula, Dror M. Bittner, John C. Mullaney, Susana Blanco, David P. Tew, Nicholas R. Walker, Anthony C. Legon
JOURNAL OF CHEMICAL PHYSICS
(2017)
Article
Physics, Atomic, Molecular & Chemical
Chris Medcraft, John C. Mullaney, Nicholas R. Walker, Anthony C. Legon
JOURNAL OF MOLECULAR SPECTROSCOPY
(2017)
Article
Chemistry, Physical
John C. Mullaney, Chris Medcraft, David P. Tew, Luke Lewis-Borrell, Bernard T. Golding, Nicholas R. Walker, Anthony C. Legon
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2017)
Article
Chemistry, Multidisciplinary
Arijit Das, Pankaj K. Mandal, Frank J. Lovas, Chris Medcraft, Nicholas R. Walker, Elangannan Arunan
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2018)
Article
Physics, Atomic, Molecular & Chemical
Graham A. Cooper, Cara J. Anderson, Chris Medcraft, Nicholas R. Walker
JOURNAL OF MOLECULAR SPECTROSCOPY
(2018)
Article
Chemistry, Physical
Eva Gougoula, Chris Medcraft, Ibon Alkorta, Nicholas R. Walker, Anthony C. Legon
JOURNAL OF CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Eva Gougoula, Chris Medcraft, Juliane Heitkaemper, Nicholas R. Walker
JOURNAL OF CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Eva Gougoula, Joe A. Moxon, Nicholas R. Walker, Anthony C. Legon
CHEMICAL PHYSICS LETTERS
(2020)
Article
Chemistry, Physical
Eva Gougoula, Daniel J. Cole, Nicholas R. Walker
JOURNAL OF PHYSICAL CHEMISTRY A
(2020)
Article
Physics, Atomic, Molecular & Chemical
Susanna L. Stephens, David P. Tew, Nicholas R. Walker, Anthony C. Legon
Summary: The rotational spectra of four isotopologues of C2H2...AgI have been studied using chirped-pulse Fourier transform microwave spectroscopy. The complex adopts a C2v, T-shaped geometry and the structural parameters have been evaluated. The trends in bond force constants and nuclear quadrupole coupling constant for B...AgI complexes are also examined.
JOURNAL OF MOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Physical
Eva Gougoula, Charlotte N. Cummings, Chris Medcraft, Juliane Heitkaemper, Nicholas R. Walker
Summary: The microwave spectra of N-methylimidazoleMIDLINE HORIZONTAL ELLIPSISH2O and 2-methylimidazoleMIDLINE HORIZONTAL ELLIPSISH2O complexes were recorded and analyzed to determine their molecular geometries and internal rotation properties, revealing the presence of weak electrostatic interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Graham A. Cooper, Chris Medcraft, Eva Gougoula, Nicholas R. Walker
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)