Article
Optics
Yuto Torii, Yuma Niioka, Kensuke Syundo, Daichi Kashiwagi, Toshifumi Iimori
Summary: The article reports on the fluorescence characteristics of 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), showing a solvatochromic shift and decreased fluorescence quantum yield with increasing solvent polarity. The fluorescence emissive state of F4TCNQ is identified as the intramolecular charge-transfer (ICT) state, with a heavy atom effect observed on the fluorescence intensity, suggesting intersystem crossing to the triplet state.
JOURNAL OF LUMINESCENCE
(2022)
Article
Energy & Fuels
Zhiyuan Geng, Weibo Shi, Jiayao Wang, Xinyi Zhang, Naiqi Hu, Shuchan Wang, Wenwen Deng
Summary: Organic electrode materials have advantages such as renewability, low cost, and environmental friendliness, but they often have low redox potentials and can dissolve in conventional liquid electrolytes. This paper introduces a novel organic electrode material, F(4)TCNQ, with a high voltage and uses a solid-state electrolyte to improve cycling performance. The researchers successfully fabricated an organic solid-state lithium battery with high stability.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Electrochemistry
Anbrah E. Alzubidi, Alan M. Bond, Lisandra L. Martin
Summary: The oxidation reaction of thiosulfate occurs in two distinct steps with different kinetics, where the excess of TCNQF(4)(1-) significantly influences the reaction rate. The use of experimental techniques such as voltammetric analysis and UV-visible spectrophotometry provide insight into the time-dependent nature of the reaction and the identity of the products.
Article
Nanoscience & Nanotechnology
Yuhang Zhao, Andreas Opitz, Alberto Eljarrat, Zdravko Kochovski, Christoph T. Koch, Norbert Koch, Yan Lu
Summary: This study investigates the kinetics of F(4)TCNQ adsorption on Ag nanoparticles in chloroform, proposing a two-step interaction process and revealing distinct kinetics at two stages. The influence of the molar ratio of Ag NPs/F(4)TCNQ molecules on their interaction is reported for the first time in an organic solution. Additionally, a control experiment with silica-coated Ag NPs demonstrates the inhibition of charge transfer between Ag NPs and F(4)TCNQ molecules by a silica layer.
ACS APPLIED NANO MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Satoru Muramatsu, Nobumasa Chaki, Shin-nosuke Kinoshita, Yoshiya Inokuchi, Manabu Abe, Toshifumi Iimori, Takayuki Ebata
Summary: Laser-induced fluorescence spectroscopy of TCNQ and its complexes with ACN and Bz revealed different characteristics in the gas-phase and solution, showing coupling between S-1 and S-2 states, as well as intramolecular and intermolecular charge transfer.
Article
Chemistry, Multidisciplinary
Z. Hussain, R. Ojha, D. D. La, A. Nafady, S. V. Bhosale, L. L. Martin, A. M. Bond, R. Ramanathan, V. Bansal
Summary: This study presents a rare example of a redox mediated galvanic replacement reaction, where one anion in the original template is replaced by another anion. The resulting hybrid material exhibits superior redox catalytic behavior, with the content of the replaced anion playing a crucial role in enhancing the catalytic rate.
MATERIALS TODAY CHEMISTRY
(2022)
Article
Chemistry, Physical
Hiroki Waizumi, Muhammad Shamim Al Mamun, Tsuyoshi Takaoka, Md Iftekharul Alam, Yudai Tanaka, Atsushi Ando, Zhipeng Wang, Ryuichi Arafune, Tadahiro Komeda
Summary: The study revealed a significant difference in the doping effect of TCNQ and F4-TCNQ molecules on the FET properties, with the rapid initial variation of ΔV-th attributed to the bonding of the F atom of the F4-TCNQ molecule with the S-defect.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Pietro Apra, Lorenzo Mino, Alfio Battiato, Paolo Olivero, Sofia Sturari, Maria Carmen Valsania, Veronica Varzi, Federico Picollo
Summary: This study systematically investigates the effects of thermal processes on the water adsorption of nanodiamonds, revealing that oxygen-containing surfaces exhibit higher hydrophilicity and electrical conduction. The results provide valuable insights into the properties and characteristics of nanodiamonds, contributing to a better understanding of their behavior in various applications.
Article
Chemistry, Multidisciplinary
Gamal A. E. Mostafa, Tarek A. Yousef, Samir T. Gaballah, Atef M. Homoda, Rashad Al-Salahi, Haya I. Aljohar, Haitham AlRabiah
Summary: The molecular charge transfer reactions of quinine with 2,3-dichloro-5,6-dicyano-p-benzoquinone and 7,7,8,8-tetracyanoquinodimethane to form charge transfer complexes were studied. The stability of the complexes was assessed using various spectroscopic parameters. Theoretical calculations were performed to validate the experimental results and aid in data analysis.
APPLIED SCIENCES-BASEL
(2022)
Article
Chemistry, Physical
D. P. Freitas, F. N. N. Pansini, A. J. C. Varandas
Summary: The electronic structure, IR spectra, and Raman spectra of (HCN)(n) clusters were investigated using DFT calculations accounting for solvent effects. Both linear and cyclic structures were optimized and it was found that linear structures are local minima with or without solvent effects. Calculations with solvent effects showed faster convergence and the predicted spectra agreed well with previous theoretical and experimental results, especially when considering the solvent effects. Estimates of the IR spectrum for liquid HCN and the gas-phase Raman spectrum were also provided.
CHEMICAL PHYSICS LETTERS
(2023)
Article
Biochemistry & Molecular Biology
Andrea Pietropolli Charmet, Giorgia Ceselin, Paolo Stoppa, Nicola Tasinato
Summary: This study provides an accurate prediction of the structural, rotational, and vibrational spectroscopic properties of R1122 through computational-theoretical investigation. The experimentally recorded gas-phase infrared spectrum is analyzed using the theoretical predictions. The obtained spectroscopic data allows for a preliminary estimation of the global warming potential of R1122's vibrational spectra.
Article
Chemistry, Physical
Ding-Rong Deng, Qi-Hui Wu
Summary: The study investigates the adsorption of copper phthalocyanine and 2,3,5,6-tetrafluoro-tetracyano-quino-dimethane molecules on different substrates, revealing enhanced Raman signals when adsorbed on graphene surfaces. The strongest chemical interaction is observed between 2,3,5,6-tetrafluoro-tetracyano-quino-dimethane and the copper substrate. The mechanism of graphene-enhanced Raman scattering is discussed based on spectroscopic data.
SURFACE AND INTERFACE ANALYSIS
(2021)
Article
Chemistry, Multidisciplinary
Arseni Borissov, Piotr J. Chmielewski, Carlos Gomez J. Garcia, Tadeusz Lis, Marcin Stepien
Summary: Diradicaloid helicenes were synthesized through a double electrophilic benzannulation strategy, resulting in structurally diverse products. The helicenes exhibited varying levels of singlet diradicaloid character and had narrow optical gaps, leading to significant absorption in the near infrared region. They also showed reversible redox chemistry and possessed intense near infrared absorptions extending beyond 2500 nm in some cases.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
M. Krol, A. Kolezynski, P. Florek, P. Jele, D. Kozie, W. Mozgawa
Summary: This paper summarized the recent advances in research of clinker phases using vibrational spectroscopy, including analysis of synthetic clinker minerals and commercial Portland clinker, as well as detailed band assignments in both mid and far infrared ranges.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Review
Chemistry, Physical
Tommaso Salzillo, Andrea Marchetti, Jana Vejpravova, Pablo Fanjul Bolado, Claudio Fontanesi
Summary: This work summarizes the state-of-the-art results achieved by synergistically combining the outcomes obtained from electrochemical, spectroscopic, and theoretical methods. Several selected case studies are presented, where this synergistic approach allows for a comprehensive understanding of complex experimental systems. Finally, the importance of integrating experimental and theoretical approaches in solid-state electrochemistry, an area at the forefront of novel concepts in solid-state electronics, is highlighted.
CURRENT OPINION IN ELECTROCHEMISTRY
(2022)
Review
Chemistry, Multidisciplinary
Si-Xuan Guo, Cameron L. Bentley, Minkyung Kang, Alan M. Bond, Patrick R. Unwin, Jie Zhang
Summary: This article introduces two advanced spatiotemporal voltammetric techniques for electrocatalytic studies, which provide important insights into the electrochemical reduction of CO2. Fourier transformed large-amplitude alternating current voltammetry allows the resolution of rapid electron-transfer processes, while scanning electrochemical cell microscopy provides high-resolution activity maps and potentiodynamic movies of catalyst surfaces.
ACCOUNTS OF CHEMICAL RESEARCH
(2022)
Article
Nanoscience & Nanotechnology
Laura Garcia-Quintana, Nagore Ortiz-Vitoriano, Haijin Zhu, Gene M. Nolis, Javier Herrero-Martin, Maria Echeverria, Juan Miguel Lopez del Amo, Maria Forsyth, Alan M. Bond, Patrick C. Howlett, Cristina Pozo-Gonzalo
Summary: A series of hybrid electrolytes composed of diglyme and ionic liquids have been investigated for Na-O-2 batteries. Different chemical compositions of the ILs affect the size, purity, and distribution of the discharge products. By controlling the physicochemical properties of the electrolyte and the speciation of Na+ and superoxide radical anion, the nucleation and growth phenomena, as well as electrolyte stability, can be optimized to improve battery performance.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Anup K. Prasad, Chandni Tiwari, Sourav Ray, Stephanie Holden, David A. Armstrong, K. Johan Rosengren, Alison Rodger, Ajay S. Panwar, Lisandra L. Martin
Summary: This study investigates the structural changes of antimicrobial and amyloidogenic peptides in the presence of a membrane mimetic surfactant, sodium dodecyl sulfate (SDS). The results show that the peptides display increased stability and a tendency towards alpha-helical structures in the presence of SDS.
Article
Engineering, Biomedical
Chenyang Yin, Yuqing Li, Ziyu Liao, Zekun Wang, Chunxue Dai, Weiyun Wang, Endong Yang, Feng Guo, India R. Wright, Lisandra L. Martin, Dongdong Sun
Summary: A functionalized, smart nanosonosensitizer, Bac@ARS, based on Au-RuO2 nanoparticles and selenium nanoparticles, was developed. Bac@ARS exhibited highly efficient ROS-producing activity and optimized sonosensitivity. It was able to remodel the tumor microenvironment and generate excess reactive oxygen species (ROS) for improved tumor treatment.
ACTA BIOMATERIALIA
(2023)
Article
Chemistry, Physical
Anbrah E. Alzubidi, Alan M. Bond, Lisandra L. Martin
Summary: Published data suggests that sparingly soluble metal complexes of TCNQF1-n, where n=0, 1, 2, 4, can act as heterogeneous catalysts for the slow [Fe(CN)6]3- =4- -S2O2-3/S4O2-6 reaction in water. However, this study shows that the coordination polymer CuTCNQF4 can participate as a homogeneous catalyst through a small concentration of dissolved TCNQF1-4. UV-visible spectrophotometry was used to study the catalysis of the redox reaction in the presence of various catalysts. The findings suggest the need to reevaluate the mechanism of catalysis by TCNQF4 based solids.
Review
Biochemistry & Molecular Biology
Torsten John, Lisandra L. L. Martin, Bernd Abel
Summary: This review discusses the impact of surface interfaces on the structure and aggregation mechanisms of peptides and proteins, particularly their association with amyloid fibril formation and neurodegenerative diseases. Research findings demonstrate that surface interfaces can both accelerate and inhibit peptide self-assembly, with adsorption typically promoting aggregation. The review introduces experimental and theoretical models for better understanding peptide self-assembly at hard and soft matter interfaces, and proposes relationships between biological interfaces and amyloid fibril formation.
MACROMOLECULAR BIOSCIENCE
(2023)
Article
Chemistry, Physical
Anbrah E. Alzubidi, Alan M. Bond, Lisandra L. Martin
Summary: Mechanistic variation in catalysis through substituent-based redox tuning is well established. Fluorination of TCNQ provides a significant variation in the redox potentials of the TCNQF(n)(0/1-) and TCNQF(n)(1/2-) processes. The catalysis of the ferrocyanide-thiosulfate redox reaction in aqueous solution occurs via different mechanisms depending on the presence of fluorinated or non-fluorinated catalysts. Thermodynamic data explain the observed differences in the catalytic mechanisms for the two systems. CuTCNQF(n) coordination polymers, previously considered as insoluble and heterogeneous catalysts, are shown to act as homogeneous catalysts in the ferricyanide-thiosulfate reaction.
Article
Biochemistry & Molecular Biology
Ruchika Ojha, Peter C. Junk, Alan M. Bond, Glen B. Deacon
Summary: Pt-IV coordination complexes were synthesized by oxidizing the antitumor agent [Pt-II(p-BrC6F4)NCH2CH2NEt2}Cl(py)]. Experimental data showed that excess H2O2 and elevated temperature favored the oxidation of the ligand, while a smaller amount of H2O2 at room temperature favored the oxidation of the metal, resulting in the formation of platinum(IV) complexes.
Article
Materials Science, Biomaterials
Michelle D. Farrelly, Jiali Zhai, Alice Y. J. Tiong, Leonie van 't Hag, Heidi H. Yu, Jian Li, Lisandra L. Martin, San H. Thang
Summary: Synthentic polymer nanodiscs, formed by amphipathic copolymers, have been used as an analytical tool for solubilisation and structural study of membrane proteins in their natural lipid environment. In this study, a new class of amphipathic copolymer was tested for its ability to form nanodiscs, and the solubilisation efficiency, size, structure and shape of the nanodiscs were determined. The length of the hydrocarbon chain in the polymer significantly affected the solubilisation and the size of the nanodiscs. The selective interaction of the less hydrophobic polymers with bacterial membranes suggests potential applications in selective solubilisation, biosensing, and antimicrobial development.
BIOMATERIALS SCIENCE
(2023)
Article
Biochemistry & Molecular Biology
Feijie Li, Pauline Dhordain, Milton T. W. Hearn, Lisandra L. Martin, Louise E. Bennett
Summary: Mammalian milk proteins can release antimicrobial peptides (AMPs) with bioactivity in the gastrointestinal and cardiovascular systems. In this study, in silico methods were used to analyze the AMPs released from major proteins in human and cow milk under infant digestion conditions. The results showed that whey proteins in both human and cow milks had higher levels of hydrolysis compared to caseins. Cow milk had higher AMP yields than human milk, even after standardizing the ratio of whey to casein. Beta-lactoglobulin, unique to cow milk, released the highest yield of AMPs and may have an important biological function.
Article
Chemistry, Physical
Anup Kumar Prasad, Lisandra L. Martin, Ajay S. Panwar
Summary: Helical intermediates play a crucial role in the amyloid formation of amyloidogenic peptides, which are linked to neurodegenerative diseases. These intermediates are more toxic than mature amyloid fibrils. This study focuses on understanding the mechanisms of helical intermediates in the early stages of amyloid self-assembly. Molecular dynamics simulations and the adaptive biasing force method were used to investigate the structural changes in the amyloidogenic peptide uperin-3.5 (U3.5). The results revealed that the aggregation of U3.5 peptides into beta-sheet dominant aggregates is driven by the evolution of alpha-helical intermediates and the local peptide concentration inside these aggregates.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Torsten John, Stefania Piantavigna, Tiara J. A. Dealey, Bernd Abel, Herre Jelger Risselada, Lisandra L. L. Martin
Summary: This study investigates the impact of membrane models on peptide self-assembly and proposes a model for predicting the effects of cellular changes on peptide assembly. The presence of oxidative lipids has similar effects on peptide self-assembly as bacterial membrane mimetics. Peptides with different properties exhibit different responses to lipid environments, with electrostatic interactions playing a primary role.
Review
Chemistry, Multidisciplinary
Venkata Sai Sriram Mosali, Alan M. Bond, Jie Zhang
Summary: Excessive reliance on fossil fuels has caused CO2 emissions, leading to environmental pollution and global warming. The electrochemical conversion of CO2 to valuable chemicals or fuels using alloy catalysts can mitigate this problem. Alloying copper with other metals can enhance the selectivity of copper catalysts, enabling the production of desired products.
