Review
Chemistry, Inorganic & Nuclear
Masoumeh Mohamadhoseini, Zahra Mohamadnia
Summary: The article mainly discusses the different strategies of fabricating HG supramolecular self-healable materials using host-guest interactions between beta-CD and various guest molecules. Comparing different strategies helps to properly address the challenges of this field in the future.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Chemistry, Inorganic & Nuclear
Mohamed Haouas, Clement Falaise, Nathalie Leclerc, Sebastien Floquet, Emmanuel Cadot
Summary: This article provides a brief overview of recent examples of the contribution of nuclear magnetic resonance (NMR) to the characterization of hybrid systems in solution based on cyclodextrin with polynuclear clusters. The strength and nature of the interactions can be determined using 1H (and 13C) NMR of the host, while clustering phenomena can be highlighted using DOSY and spatial proximity can be evidenced using NOESY/ROESY. Other NMR nuclei can be utilized to probe the inorganic part as a guest molecule.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Organic
Xiaodong Zhang, Tao Sun, Xin-Long Ni
Summary: This study explores the host-guest interactions of cucurbit[8]uril with pi-conjugated bispyridinium guests in aqueous solution, resulting in a series of dynamic assemblies distinguishable by naked-eye observation and quantitative fluorescence emissions. The dissociation and control of host-stabilized charge-transfer interactions by N-substituted alkyl chains on cationic guests led to the discovery of new possible binding modes for the cucurbit[8]uril host.
ORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Nanoscience & Nanotechnology
Caiping Liu, Huaitian Bu, Xiao Duan, Hui Li, Yang Bai
Summary: As it is difficult for light to reach deep tumor tissue, enhancing the efficacy of photodynamic therapy (PDT) poses a significant challenge. In this study, a supramolecular polymer self-assembly (HACP) with bis[2,4,5-trichloro-6 (penty-loxycar-bonyl) phenyl] oxalate as the cargos (HACP@CPPO) was proposed to achieve chemiluminescence resonance energy transfer (CRET)-induced generation of O-1(2) in situ. HACP was prepared using cinnamaldehyde-modified hyaluronic acid (HA-CA) and beta-cyclodextrin-modified protoporphyrin IX (beta-CD-PPIX) via host-guest interactions. The CA moiety could elevate H2O2 levels for enhanced chemical energy production, while the macrocyclic CD could enhance the stacking distance of PPIX for increased O-1(2) yield. Therefore, HACP@CPPO exhibited excellent antitumor performance without light irradiation.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Xiao Xiao, Zhirui Xu, Wenkai Wang, Siyuan Sun, Yan Qiao, Lingxiang Jiang, Yun Yan, Jianbin Huang
Summary: A versatile supramolecular platform was reported to construct enzyme-responsive nanosystems via host-guest interactions, leading to the formation of various nanostructures capable of actively releasing water-soluble molecules or functional nanoparticles in the presence of alpha-amylase.
Review
Chemistry, Inorganic & Nuclear
Guihua Fang, Xuewen Yang, Sumeng Chen, Qiuxiang Wang, Aiwen Zhang, Bo Tang
Summary: This review summarizes the application of CD-based host-guest supramolecular hydrogels in local drug delivery. It covers the formation of supramolecular hydrogels with different types of CD, the physicochemical characteristics of these hydrogels, and their application in various administration routes. The review also discusses the challenges and future directions for the clinical translation of CD-based host-guest supramolecular hydrogels.
COORDINATION CHEMISTRY REVIEWS
(2022)
Article
Chemistry, Physical
Jaemin Kim, Jewon Choi, Kiho Park, Sungchan Kim, Kwan Woo Nam, Kookheon Char, Jang Wook Choi
Summary: Increasing the silicon content in the silicon-graphite composite anode to maximize the energy density of a lithium-ion battery cell is a challenging task due to the contradictory surface characteristics of silicon and graphite. This study presents an amphiphilic host-guest complex binder composed of pyrene-conjugated poly(acrylic acid) and a hyperbranched gamma-cyclodextrin polymer, which effectively maintains the integrity of the electrode and improves the cycling performance and rate capability of Si-Gr electrodes.
ADVANCED ENERGY MATERIALS
(2022)
Article
Chemistry, Applied
Elham Neisi, Abbas Dadkhah Tehrani, Hamid Reza Shamlouei
Summary: Supramolecular hydrogels have attracted significant attention due to their versatile approaches for preparation and new facile characterization strategies. In this study, we successfully formed a biocompatible and low-cost supramolecular hydrogel by binding modified cellulose nanowhiskers with gallic acid pendant groups (CNW-GA) with CNW grafted with beta-Cyclodextrin (CNW-g-beta-CD) through HG interaction. We also developed a simple colorimetric characterization method using phenolphthalein (PP) as a visual indicator for confirming HG complexation.
CARBOHYDRATE POLYMERS
(2023)
Review
Chemistry, Multidisciplinary
Takehiro Hirao, Takeharu Haino
Summary: This review introduces the research directions for the synthesis of supramolecular fullerene polymers, including the linear, networked, helical arrays directed by the use of calix[5]arene-fullerene interactions, and the investigation of the calix[5]arene-fullerene interaction for control over the chain structures of covalent polymers.
CHEMISTRY-AN ASIAN JOURNAL
(2022)
Article
Chemistry, Physical
Fengyan Fang, Zhaolei Zhang, Pingping Zhang, Xiaokang Zhang, Hongchao Ma, Yanhui Wei
Summary: Cyclodextrin-based fluorescent probes have shown great potential in chemical or biological sensing. In this study, a new probe was developed by linking DASP and B-cyclodextrin. It was found that the intermolecular inclusion complex formed by the probe would disassemble in the presence of amantadine, leading to a decrease in fluorescence intensity. This discovery provides a rapid and selective method for the detection of amantadine and suggests the potential for designing other cyclodextrin-based sensing strategies.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2024)
Article
Nanoscience & Nanotechnology
Qin Wang, Xiao-Feng Wang, Wen-Qi Sun, Rui-Lian Lin, Ming-Fu Ye, Jing-Xin Liu
Summary: We demonstrated a novel supramolecular host-guest hydrogel, which is constructed by the complexation of the host gamma-CD with the guest 1-(4-carboxybenzyl)-4,4'-bipyridinium chloride through multiple interactions. The supramolecular hydrogel exhibits reversible electron transfer photochromic behavior and photomodulable fluorescence, making it suitable for visual display and anti-counterfeiting applications.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Suresh Moorthy, Alvaro Castillo Bonillo, Hugues Lambert, Elina Kalenius, Tung-Chun Lee
Summary: A new supramolecular approach has been reported to selectively deactivate the electrophilic alpha-carbon of phenyl diazonium ion through host-guest complexation, thus avoiding undesirable side reactions. This method holds great potential for the reactive chemistry of organic molecules in aqueous media.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Lubin Ni, Jie Gu, Xinyuan Jiang, Hongjie Xu, Zhen Wu, Yuchao Wu, Yi Liu, Ju Xie, Yongge Wei, Guowang Diao
Summary: A POM-CD-COSF crystalline structure was successfully obtained by self-assembling a Krebs-type POM, β-CD units, and two K4SiW12O40-type POMs. The POM-CD-COSF-based battery separator showed excellent performance in mitigating the polysulfide shuttle effect in lithium-sulfur batteries. This was attributed to the fast Li+ diffusion through the supramolecular channel of β-CD, efficient polysulfide-capture ability by the dynamic host-guest interaction of β-CD, and improved sulfur redox kinetics by the bidirectional catalysis of the POM cluster. This research opens up new possibilities for the development of multifunctional supramolecular POM frameworks and their applications in Li-S batteries.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Shujuan Yang, Wenqi Qin, Xinyu Zhao, Furui He, Haifang Liu, Qichang Zhou, Junhao Huang, Gaobo Yu, Yuhong Feng, Jiacheng Li
Summary: The soft interfacial template-assisted confined self-assembly of block copolymers guiding colloidal aggregates has been extensively studied. In this study, a supramolecular host-guest interfacial recognition-engineered strategy was used to in-situ construct a system with photo-stimulated responsive structural reconfigurability. The supramolecular host-guest droplet interfaces acted as soft templates managing interfacial instability and constructing various soft supra-colloidal aggregates.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Yang Bai, Yujie Pan, Na An, Haitao Zhang, Chao Wang, Wei Tian, Tao Huang
Summary: This study successfully fabricated supramolecular complexes self-assemblies (SCSAs) by incorporating cinnamaldehyde (CA) and PEG-modified cyclodextrin host units (mPEG-CD-CA) with ferrocene-(phenylboronic acid pinacol ester) conjugates (Fc-BE) based on CD-induced host-guest interactions. After internalization by cancer cells, CA can be released from SCSAs through pH-responsive acetal linkage, elevating the H2O2 level by activating NADPH oxidase. Furthermore, Fc can catalyze the H2O2 to higher cytotoxic hydroxyl radicals (OH), while quinone methide (QM) can be produced and consume the antioxidant GSH. In vitro and in vivo experiments demonstrate that SCSAs can be potential amplified CDT nanoagents.
CHINESE CHEMICAL LETTERS
(2023)
Article
Chemistry, Inorganic & Nuclear
Karmel S. Gkika, Sara Noorani, Naomi Walsh, Tia E. Keyes
Summary: This study shows that cell permeability can be promoted by non-contiguous sequences of arginine residues bridged across the metal center. The bis-tetraarginine conjugate exhibited excellent cellular uptake and accumulation in two 2D monolayer cell lines, as well as remarkable in-depth penetration of 3D MCTSs in pancreatic cancer cells.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Keshav Kumar Jha, Amrutha Prabhakaran, Christopher S. Burke, Marcus Schulze, Ulrich S. Schubert, Tia E. Keyes, Michael Jaeger, Benjamin Dietzek Ivansic
Summary: Triplet-triplet annihilation upconversion is an emerging technology that has the potential to convert long-wavelength photons to higher photon energies. Transferring the upconversion system from solution to solid matrices is a challenge, but various approaches have been established. This study investigates the effect of integrating molecular sensitizers into a PMMA polymer on the upconversion process, and compares the results to those using a monomeric annihilator.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Sean Hennessey, Christopher S. Burke, Roberto Gonzalez-Gomez, Debobroto Sensharma, Wenming Tong, Amal, Cherian Kathalikkattil, Fabio Cucinotta, Wolfgang Schmitt, Tia E. Keyes, Pau Farras
Summary: A new multimetallic photoactive coordination polymer with high photostability and unique optical properties has been successfully synthesized.
Article
Chemistry, Inorganic & Nuclear
Komala Pandurangan, Anthony B. Carter, Paulo N. Martinho, Brendan Gildea, Tibebe Lemma, Shang Shi, Aizuddin Sultan, Tia E. Keyes, Helge Mueller-Bunz, Grace G. Morgan
Summary: This study reports the structural and magnetic properties of a new spin crossover complex in lattices with different counterions. Comparison experiments show that alkylation effectively inhibits the thermal spin crossover pathway. Further investigations confirm the stability of the high spin state in dilute environments.
Article
Chemistry, Multidisciplinary
Nirod Kumar Sarangi, Amrutha Prabhakaran, Tia E. Keyes
Summary: Quinacrine is a versatile drug with antimalarial, antianthelmintic, antiprotozoan, and multidrug resistance combating properties. By using microcavity-suspended lipid bilayers as in vitro models, the influence of cholesterol and mixed-lipid composition on the membrane interactions of quinacrine was investigated. Label-free surface-sensitive techniques, such as electrochemical impedance spectroscopy and surface-enhanced Raman spectroscopy, were utilized to study drug permeability and binding behavior.
Review
Chemistry, Multidisciplinary
Karmel S. Gkika, David Cullinane, Tia E. Keyes
Summary: Metal complex luminophores have been widely applied as imaging probes in cell imaging due to the use of peptide-facilitated delivery. The conjugation of cell-permeating or signal peptides to metal complex luminophores allows efficient transportation across the cell membrane. This article discusses the rationale behind using metal complexes as probes and sensors in cell imaging and highlights the advantages of using peptides as carriers for complex luminophores. The article also presents progress in applying peptides in metal complex peptide-driven conjugates for cell permeation and targeting.
TOPICS IN CURRENT CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Daniel Obitz, Karmel S. Gkika, Marvin Heller, Tia E. Keyes, Nils Metzler-Nolte
Summary: A lanthanide(iii) complex connected to a light harvesting antenna was synthesized and tested as a potential photosensitizer in photodynamic therapy. The complex showed significant phototoxic activity on cancer cells upon irradiation, with ROS production identified as the compound's phototoxic mode of action. In cell viability assays, a 10-fold decrease in IC50 value was observed compared to the dark control.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Lorcan Holden, Karmel S. Gkika, Christopher S. Burke, Conor Long, Tia E. Keyes
Summary: This study reports a Ru(II) complex (Ru-PDC3) that combines the light switch capability of a Ru(II) dipyridylphenazine complex with the well-known G4-selective ligand Phen-DC3 into a single structure. The complex exhibits the expected light switch effect and strong affinity for G4 structures, while also possessing a powerful G4 disrupting capability. Additionally, the complex is fully water-soluble and readily permeable to live cells.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Jack Robinson, Nirod Kumar Sarangi, Tia E. Keyes
Summary: The study shows that Aβ(1-42) induces oligomerization on the outer leaflet of membranes containing DOPS, leading to membrane damage and solute leakage, with the effects dependent on the concentrations of DOPS and Aβ(1-42) as well as time.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Ruben Arturo Arellano-Reyes, Amrutha Prabhakaran, Rengel Cane E. Sia, Julien Guthmuller, Keshav Kumar Jha, Tingxiang Yang, Benjamin Dietzek-Ivansic, Vickie McKee, Tia E. Keyes
Summary: BODIPY heterochromophores with perylene and/or iodine substituents at the 2 and 6 positions were investigated for their potential as sensitizers in triplet-triplet annihilation up conversion (TTA-UC). The compounds exhibited strong charge transfer absorption and emission properties, and were effective sensitizers for TTA-UC with perylene annihilator in dioxane and DMSO solvents. The emission profiles remained characteristic of charge transfer transition across all solvents tested.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Rafaela T. Marques, Liliana P. Ferreira, Clara S. B. Gomes, Catia S. D. Lopes, Carlos E. S. Bernardes, Nirod Kumar Sarangi, Tia E. Keyes, Paulo N. Martinho
Summary: The storage of guest molecules in nonporous single crystals is an important development in the field of smart materials. We describe the synthesis and characterization of the new spin crossover Fe(III) compound [Fe(3-Br,5-ClsalEen)2]BPh4 center dot CH3CN center dot H2O (salEen = N-ethyl-N-(2-aminoethyl)salicylaldiminate) and its reversible single-crystal-to-single-crystal transformation upon desolvation and resolvation of the crystals. This compound behaves as a spin crossover sponge, and the desolvation/resolvation dynamics were studied through kinetic analysis.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Arpita Roy, Nirod Kumar Sarangi, Surajit Ghosh, Amrutha Prabhakaran, Tia E. Keyes
Summary: Antimicrobial peptides (AMPs) have significant potential in combating antibiotic resistance by targeting microbial membrane without harming mammalian cells. This study investigated the interactions and synergistic effects of two AMPs, magainin 2 and PGLa, on bacterial and mammalian membrane models. The combined AMPs formed toroidal pores, while individual AMPs only affected the exterior leaflet of the bacterial model. The impact on a ternary, mammalian mimetic membrane was much weaker.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Inorganic & Nuclear
Rhianne C. C. Curley, Christopher S. S. Burke, Karmel S. S. Gkika, Sara Noorani, Naomi Walsh, Tia E. E. Keyes
Summary: Parent and peptide conjugates of bistridentate Ru(II) complexes with expanded bite angles demonstrate high phototoxicity and exceptional permeability in both 2D and 3D cell models for potential use in photodynamic therapy. The Ru(II) complexes show enhanced emission quantum yields and lifetimes, promoting their photoinduced singlet oxygen production. The complexes exhibit significant phototoxicity toward pancreatic cancer cell monolayers, with phototoxic indices ranging from 580 to 760.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Meenaxi Saini, Tia E. Keyes
Summary: Pt1 selectively emits luminescence when binding to G-quadruplex rather than duplex DNA, with enhanced effect on parallel and hybrid G-quadruplex structures. The kinetics of binding are studied for c-myc and the response is partially reversible in a displacement assay.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Chao-Yi Yao, Hong-Yu Lin, Philip Morgenfurt, Tia E. Keyes, A. Prasanna de Silva
Summary: This article introduces shape-switchable cyclophane hosts that can capture and release reactive polypyridineRu(ii) complexes in water. This leads to a network of host-guest binding, acid-base reactions, and chemical redox interconversions. The study of (2-(2'-pyridyl)imidazole)Ru(ii) complexes reveals the emergence of molecular logic gate arrays of varying complexity. The luminescence switching in neutral solution is attributed to the features of the aromatic hosts, including enhanced radiative decay and suppressed nonradiative decay involving deprotonation by reducing the water content within the deep host cavity. These findings demonstrate the control of nanometric coordination chemistry/physics through inclusion in an open box. The shape-switching mechanism of wall collapse/erection is also influenced by the aromatic units of the macrocycle.
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)