Article
Chemistry, Physical
Yuren Li, Lihe Yan, Jinhai Si, Zezhou Liang, Wenbo Huang, Heping Ma, Xun Hou
Summary: This study investigates the nonlinear optical limiting (OL) property of tin phthalocyanine porous organic frameworks (Sn-Pc-POFs) dispersion in the nanosecond regime. The results show that the material has excellent dispersibility, stability, and a low OL threshold. To explain the nonlinear optical response mechanism, the energy level structure of Sn-Pc-POFs was simulated and the photoinduced carrier dynamics were studied. The study reveals that the material's excellent OL property is attributed to its large absorption cross section and long excited state lifetime.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Applied
Corentin Maret, Sarah Chebourou, Antoinette De Nicola, Thomas V. Papineau, Morgane Vacher, Denis Jacquemin, Gilles Ulrich
Summary: This study reports the synthesis and characterization of known and novel analogues of 8-carboline, aiming to induce changes in their optical properties. The synthesis strategy involves post-synthetic functionalization and total synthesis, utilizing the Pictet-Spengler reaction and different techniques for aromatization. The experimental results show unexpected shifts in UV-visible and fluorescence spectra by changing only a few substituents, and protonation of the compounds leads to profound changes in spectroscopic properties.
Article
Chemistry, Physical
M. Vennila, R. Rathikha, S. Muthu, A. Jeelani, Ahmad Irfan
Summary: The compound 6-acetyl-2H-1,4-benzoxazin-3(4H)-one was analyzed using DFT method and vibrational spectroscopy. The study involved the computation of vibrational wavenumbers, optimization of geometry, analysis of properties in different solvents, investigation of inter and intra molecular reactions, and observation of drug-like parameters and biological nature through molecular docking studies.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Daniel Pecorari, Andrea Mazzanti, Michele Mancinelli
Summary: In this study, a lactone-atorvastatin prodrug with atropisomeric features was successfully synthesized. Conformational and experimental studies were conducted to assess the stability of the chiral axis, and docking calculations were used to evaluate the continuous inhibition of a library of atorvastatins. The best candidate was fully synthesized, yielding a thermally stable atropisomeric lactone-atorvastatin. Chiroptical ECD spectroscopy coupled with TD-DFT calculations were used to determine the absolute configuration of the chiral axis of the atropisomers.
Article
Biochemistry & Molecular Biology
Konrad Skotnicki, Slawomir Ostrowski, Jan Cz. Dobrowolski, Julio R. de la Fuente, Alvaro Canete, Krzysztof Bobrowski
Summary: The study aimed to determine whether the azide radical could react with organic compounds containing double bonds by radiolysis of water. Results suggested that the azide radical might participate in reactions by addition to double bonds, rather than solely by electron transfer.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Physical
Shahid Husain, Nupur Pandey, Nisha Fatma, Sanjay Pant, Mohan Singh Mehata
Summary: The effect of solvents on the absorption and fluorescence spectra of 3,5-diaminobenzoic acid was investigated. It was found that the polarity and hydrogen bonding ability of solvents can modify its spectral characteristics. The solvent acidity and dipolarity were shown to influence the absorption and fluorescence spectra. The preferential solvation concept was used to explain the spectral variations in different solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Nesimi Uludag, Goncagul Serdaroglu
Summary: A novel method for the direct synthesis of 2-(cyanomethyl)indoles was reported, utilizing tetrafluoro-1,4-benzoquinone as the catalyst, enabling one-step synthesis without protecting the indole N-H. This approach not only increased the yield of the products but also explored the antioxidant activity of the intermediates and final products.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Goncagul Serdaro Glu, Nesimi Uludag, Paramasivam Sugumar, Parthasarathi Rajkumar
Summary: The study investigated the spectroscopic characteristics, antioxidant activity, and molecular docking of tubifolidine, a type of Strychnos indole alkaloid. The results showed that tubifolidine exhibited strong antioxidant activity and possibly interacted with the topoisomerase receptor. Additionally, calculations on the molecular structure and spectroscopic properties revealed low stability of tubifolidine and a dominant electro-donating power over electroaccepting capability.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Biochemistry & Molecular Biology
Milena Pienkos, Beata Zadykowicz
Summary: The rapid increase in disease prevalence in the world necessitates the search for new or improved diagnostic methods, such as chemiluminescent labeling in immunodiagnostics. The goal of this study is to find new chemiluminogens that are more efficient than current ones, using density functional theory and time-dependent DFT methods to analyze their thermodynamic and kinetic properties.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Vassil B. Delchev
Summary: The study revealed that the two tautomers of melamine are connected through the excited-state reaction path, and the high photostability in water solution is explained by the mechanism of ring deformation. These mechanisms were investigated at the TD BLYP level using linear interpolation in internal coordinates approach.
JOURNAL OF MOLECULAR MODELING
(2021)
Article
Chemistry, Multidisciplinary
Aleksey A. Gagarin, Artem S. Minin, Vadim A. Shevyrin, Irena P. Kostova, Enrico Benassi, Nataliya P. Belskaya
Summary: A new fluorophore with good photophysical characteristics was designed and synthesized by incorporating an arylidene thiazole scaffold. The compound exhibited high molar extinction coefficients, green emission, and good dark stability. The photorelease mechanism was investigated and the stability of the intermediate carbocation was attributed to the resonance structures of the fluorophore. Biological experiments confirmed the viability and penetration ability of the prodrugs.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Nadir Ghichi, Amel Djedouani, Douniazed Hannachi, Chawki Bensouici, Ali Benboudiaf, Hocine Merazig, Helen Stoeckli-Evans
Summary: The title compound Q1 was successfully synthesized and characterized in this study. It exhibited average antioxidant activity and good optical properties, making it a potential candidate for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Megan Y. Deshaye, Alex T. Wrede, Tim Kowalczyk
Summary: In this study, a strategy for obtaining electronic transition dipole moments for the lowest-lying singlet-singlet transition in organic chromophores from time-independent excited-state density-functional tight-binding (DFTB) calculations is introduced. The accuracy, potential, and limitations of this semiempirical strategy are explored through small-molecule benchmarks and applications to larger chromophores. While more accurate methods are recommended for small systems, there is evidence for the method's potential in high-throughput molecular screening applications and in the analysis of molecular dynamics simulations.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Anna Medvedeva, Nikita Dubinets, Alexander Koshkin, Elena Rykova
Summary: The behavior of the 4-DASPI dye in silicate hydrogel samples was studied using luminescence spectroscopy and calculations. The interactions between the dye and silica caused small fluorescence shifts, and the degree of twisting of the dye in the hydrogel affected the fluorescence intensity.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Spectroscopy
Anna Szemik-Hojniak, Irena Deperasinska, Yuval Erez, Monika Gawlowska, L. Jerzykiewicz
Summary: In this study, the 2E6M molecule belonging to the Proton Coupled Electron Transfer (PCET) compounds was investigated. It was found that this compound undergoes both charge transfer and proton transfer processes in excited states. The study revealed the nature of these processes in different solvents and observed changes in the dipole moment and fluorescence characteristics of the molecule.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Biochemistry & Molecular Biology
Sebastiano Di Pietro, Dalila Iacopini, Barbara Storti, Riccardo Nifosi, Valeria Di Bussolo, Mauro Pineschi, Aldo Moscardini, Giovanni Signore, Ranieri Bizzarri
Summary: The development of a novel water-soluble Eu3+ complex with a long emission lifetime through rational design strategy has the potential to revolutionize imaging-based diagnostic techniques. The new complex allows selective insertion of two or three antennas on the cyclen platform without any protection strategy. The successful validation of its suitability as a luminescent bioprobe was achieved through immunofluorescence imaging of BMI1 oncomarker in lung carcinoma cells.
Article
Biochemistry & Molecular Biology
Sebastiano Di Pietro, Dalila Iacopini, Aldo Moscardini, Ranieri Bizzarri, Mauro Pineschi, Valeria Di Bussolo, Giovanni Signore
Summary: This study introduces two new tris coumarin-dipicolinate europium (III) complexes, which can be tailored to be either mono or dual emitters and their properties tuned with simple chemical modifications. The research also reveals a rich chemical speciation in solution, which is studied in detail by paramagnetic NMR and emission spectroscopy.
Review
Nanoscience & Nanotechnology
Mario D'Acunto, Patrizia Cioni, Edi Gabellieri, Gianluca Presciuttini
Summary: Gold nanoparticles possess excellent optical and chemical properties, with efficient light absorption and scattering capabilities. They demonstrate great potential in cancer therapy, particularly in photothermal therapy and photodynamic therapy.
Article
Multidisciplinary Sciences
Emanuela Jacchetti, Ramin Nasehi, Lucia Boeri, Valentina Parodi, Alessandro Negro, Diego Albani, Roberto Osellame, Giulio Cerullo, Jose Felix Rodriguez Matas, Manuela Teresa Raimondi
Summary: Smart biomaterials are used to control stem cell fate by recreating native niche microenvironments. Research shows that nuclear transport of myogenic factors and passive nuclear diffusion of proteins are reduced in mesenchymal stem cells grown in 3D synthetic niches. Cell morphology may also modulate nuclear protein import through division of the nuclear envelope surface.
SCIENTIFIC REPORTS
(2021)
Article
Biology
Giorgia Maroni, Mahmoud A. Bassal, Indira Krishnan, Chee Wai Fhu, Virginia Savova, Rapolas Zilionis, Valerie A. Maymi, Nicole Pandell, Eva Csizmadia, Junyan Zhang, Barbara Storti, Julio Castano, Riccardo Panella, Jia Li, Corinne E. Gustafson, Sam Fox, Rachel D. Levy, Claire Meyerovitz, Peter J. Tramontozzi, Kimberly Vermilya, Assunta De Rienzo, Stefania Crucitta, Daniela S. Basseres, Marla Weetall, Art Branstrom, Alessandra Giorgetti, Raffaele Ciampi, Marzia Del Re, Romano Danesi, Ranieri Bizzarri, Henry Yang, Olivier Kocher, Allon M. Klein, Robert S. Welner, Raphael Bueno, Maria Cristina Magli, John G. Clohessy, Azhar Ali, Daniel G. Tenen, Elena Levantini
Summary: A tumor-specific, mutant-KRAS-associated subpopulation was identified in human and murine lung cancer, offering promise for targeted therapy developments.
COMMUNICATIONS BIOLOGY
(2021)
Review
Biochemistry & Molecular Biology
Patrizia Cioni, Edi Gabellieri, Barbara Campanini, Stefano Bettati, Samanta Raboni
Summary: The development of enzyme-based human therapies has greatly increased in recent decades due to advances in understanding molecular mechanisms and characterizing catalytic activity. Approved enzymes find applications in various fields, but challenges such as immunogenicity and instability need to be addressed. Chemical modification, targeted delivery, and genetic manipulation are explored to reduce toxicity and improve enzyme availability and targeting.
CURRENT MEDICINAL CHEMISTRY
(2022)
Article
Cell Biology
Maria Garofalo, Cecilia Pandini, Matteo Bordoni, Emanuela Jacchetti, Luca Diamanti, Stephana Carelli, Manuela Teresa Raimondi, Daisy Sproviero, Valeria Crippa, Serena Carra, Angelo Poletti, Orietta Pansarasa, Stella Gagliardi, Cristina Cereda
Summary: This study conducted gene expression analysis on sporadic ALS patients and healthy controls, and found that patients with high and low levels of nSOD1 have different gene expression patterns. High-nSOD1 patients activate pathways related to upregulation of HSP70 molecular chaperones, leading to reduced DNA damage under oxidative stress conditions.
Article
Biophysics
Rita Puglisi, Patrizia Cioni, Edi Gabellieri, Gianluca Presciuttini, Annalisa Pastore, Piero Andrea Temussi
Summary: This study investigates the unfolding degree of Yfh1 protein under different pressure and temperature conditions using Trp fluorescence as a monitor. The results demonstrate that the protein is highly sensitive to pressure, with lower pressures being sufficient to cause unfolding in the absence of stabilizers, while higher pressures are required in the presence of stabilizers. This research is of great importance for understanding the rules governing protein fold stability.
BIOPHYSICAL JOURNAL
(2022)
Article
Biochemistry & Molecular Biology
Eveljn Scarian, Matteo Bordoni, Valentina Fantini, Emanuela Jacchetti, Manuela Teresa Raimondi, Luca Diamanti, Stephana Carelli, Cristina Cereda, Orietta Pansarasa
Summary: This study demonstrates the robustness of 3D cultures for the differentiation of stem cells in studying ALS, using bioprinting and iPSCs. The results show that the hydrogel-based constructs do not interfere with the differentiation process and electrophysiological features of the cells.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Barbara Storti, Benedetta Carlotti, Grazia Chiellini, Martina Ruglioni, Tiziano Salvadori, Marco Scotto, Fausto Elisei, Alberto Diaspro, Paolo Bianchini, Ranieri Bizzarri
Summary: By combining steady-state and ultrafast spectroscopy with gated STED imaging, this study demonstrates that F99S/M153T/V163A GFP is an efficient genetic reporter for STED imaging, with no excited state absorption at depletion wavelengths <600 nm and a long emission lifetime. This makes c3GFP a valuable alternative to more common, but less photostable, EGFP and YFP/Citrine mutants for STED imaging studies targeting the green-yellow region of the optical spectrum.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Irene Nepita, Simonluca Piazza, Martina Ruglioni, Sofia Cristiani, Emanuele Bosurgi, Tiziano Salvadori, Giuseppe Vicidomini, Alberto Diaspro, Marco Castello, Paolo Bianchini, Barbara Storti, Ranieri Bizzarri
Summary: Super-resolution microscopy has been used to understand the 3D topology of chromatin at an intermediate genomic scale. Polycomb proteins, specifically PRC1 and PRC2, play a role in gene repression and operate on chromatin in a complex mechanism. The functional colocalization study using Image Scanning Microscopy (ISM) suggests a simultaneous effort of PRC1 and PRC2 in shaping the chromatin topology.
APPLIED SCIENCES-BASEL
(2023)
Article
Biochemistry & Molecular Biology
Francesca Signori, Jos W. H. Wennink, Simona Bronco, Jan Feijen, Marcel Karperien, Ranieri Bizzarri, Pieter J. Dijkstra
Summary: Poly(lactide) (PLA) and poly(ethylene glycol) (PEG)-based hydrogels were prepared by mixing enantiomerically pure copolymers with opposite chirality. The gelation process was found to follow different mechanisms depending on the nature of the linker R. Mixing equimolar amounts of the enantiomeric copolymers resulted in micellar aggregates with a stereocomplexed PLA core and a hydrophilic PEG corona.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Review
Biology
Irene Nepita, Simonluca Piazza, Martina Ruglioni, Sofia Cristiani, Emanuele Bosurgi, Tiziano Salvadori, Giuseppe Vicidomini, Alberto Diaspro, Marco Castello, Andrea Cerase, Paolo Bianchini, Barbara Storti, Ranieri Bizzarri
Summary: This article reviews the application of super-resolution microscopy in metazoan chromatin, specifically focusing on the role of polycomb proteins in shaping 3D chromatin topology and function. The use of super-resolution microscopy has greatly contributed to our understanding of nano-/mesoscale chromatin domains.
Article
Biochemistry & Molecular Biology
Michela Bollati, Luisa Diomede, Toni Giorgino, Carmina Natale, Elisa Fagnani, Irene Boniardi, Alberto Barbiroli, Rebecca Alemani, Marten Beeg, Marco Gobbi, Ana Fakin, Eloise Mastrangelo, Mario Milani, Gianluca Presciuttini, Edi Gabellieri, Patrizia Cioni, Matteo de Rosa
Summary: Gelsolin consists of six homologous domains and single point substitutions in this protein can cause AGel amyloidosis. The destabilization of the interface between G4 and G5 by recent mutations (A551P, E553K and M517R) leads to increased aggregation and proteotoxicity in Gelsolin variants.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL
(2021)
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)