Article
Medicine, Research & Experimental
Farkhad Maksudov, Evgenii Kliuchnikov, Daniel Pierson, M. L. Ujwal, Kenneth A. Marx, Arani Chanda, Valeri Barsegov
Summary: This article investigates the structure-function relationships of PMOs, which are therapeutic RNA mimicking molecules. By utilizing various techniques, such as circular dichroism and molecular dynamics simulations, the solution structures of PMOs were determined. The study reveals that PMOs adopt non-canonical, partially helical, and stable folded structures, and exhibit thermodynamic stability and concentration-dependent viscosity properties.
MOLECULAR THERAPY-NUCLEIC ACIDS
(2023)
Article
Materials Science, Multidisciplinary
Pham Van Mao, Tatsumi Arima, Yaohiro Inagaki, Kazuya Idemitsu, Daisuke Akiyama, Takayuki Nagai, Yoshihiro Okamoto
Summary: The effect of LnO(1.5) doping on the crystal structure of U(1-y)Ln(y)O(2-x) samples was investigated, revealing a reduction in lattice parameter and the formation of higher U oxidation states. Additionally, XAFS analysis showed a decrease in U-O and Gd-O interatomic distances with increasing y.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Chemistry, Applied
Nor E. Rahmani-Manglano, Nykola C. Jones, Soren V. Hoffmann, Emilia M. Guadix, Raul Perez-Galvez, Antonio Guadix, Pedro J. Garcia-Moreno
Summary: The secondary structure of whey protein concentrate hydrolysate (WPCH) was investigated using Synchrotron Radiation Circular Dichroism (SRCD). The study found that enzymatic hydrolysis resulted in peptides with a highly unordered structure in solution. However, when adsorbed at the oil/water interface, WPCH increased the alpha-helical content and improved thermal stability. The encapsulating agents and drying technique did not significantly modify the conformation of WPCH at the interface, but electrospraying had an effect on the obtained spectra.
Article
Polymer Science
Andrea Tagliabue, Cristian Micheletti, Massimo Mella
Summary: In this study, Langevin dynamics simulations were used to investigate the behavior of coarse-grained knotted copolyelectrolytes in solutions with different salt concentrations, valency, and solvent screening power. The results show that by varying these parameters, the length and position of the knotted region can be tuned, which in turn controls the overall metric properties. Additionally, it was found that similar modulations of knot size and position can be achieved by varying the dielectric constant of the solvent.
Article
Food Science & Technology
Laetitia Theron, Aline Bonifacie, Jeremy Delabre, Thierry Sayd, Laurent Aubry, Philippe Gatellier, Christine Ravel, Christophe Chambon, Thierry Astruc, Jacques Rouel, Veronique Sante-Lhoutellier, Matthieu Refregiers, Frank Wien
Summary: Food processing can impact the structure and chemical state of proteins, potentially leading to oxidation and impairment of properties, affecting protein digestibility. This study aims to understand how oxidative processes influence the structure and activity of pepsin during digestion.
Article
Astronomy & Astrophysics
Monica Barnard, Christo Venter, Alice K. Harding, Constantinos Kalapotharakos, Tyrel J. Johnson
Summary: Recent kinetic simulations have sparked a debate about the emission mechanism responsible for pulsar's pulsed GeV gamma-ray emission. By using an extended slot gap and current-sheet model, researchers have interpreted the spectra and light curves of the Vela pulsar as the result of curvature radiation due to primary particles in the pulsar magnetosphere and current sheet. The study reveals trends in the flux and spectral cutoff, but there are still uncertainties in distinguishing emission mechanisms.
ASTROPHYSICAL JOURNAL
(2022)
Article
Biochemistry & Molecular Biology
Munehiro Kumashiro, Ryoga Tsuji, Shoma Suenaga, Koichi Matsuo
Summary: The antimicrobial peptide magainin 2 (M2) interacts with bacterial cell membranes and causes structural damage. This study investigates the conformation and orientation of M2 on lipid membranes, as well as the mechanism of membrane-mediated oligomerization of M2. The results suggest that the formation of beta-strand oligomers plays a crucial role in the disruption of the cell membrane.
Review
Physics, Condensed Matter
M. McMahon
Summary: This article discusses the use of synchrotrons and XFELs in investigating the evolution of crystal structures in extreme states of matter. X-ray scattering techniques are used to obtain structural information from these extreme conditions. The article also explores the application of these techniques at current and future generations of X-ray lightsources.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Polymer Science
Xiaohua Chang, Dengwen Hu, Liangren Chen, Yaping Wang, Yutian Zhu
Summary: Thermoresponsive block copolymer micelles have potential in biological applications, with studies showing that changes in hydrophobic/hydrophilic block ratio, micelle concentration and addition of salt can alter the cloud point. Increasing the amount of PLGA hydrophobic block significantly decreases the cloud point, while higher micelle concentration and salt addition also lower the cloud point.
Article
Chemistry, Physical
T. Kunsel, L. M. Guenther, J. Koehler, T. L. C. Jansen, J. Knoester
Summary: The study explores the use of single-object spectroscopy to probe size variations of bacteriochlorophyll aggregates in chlorosomes. By combining linear polarization resolved spectroscopy and circular dichroism spectroscopy, it is possible to access and probe the typical size of tubular aggregates within chlorosomes, revealing potential differences between individual chlorosomes.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Biochemistry & Molecular Biology
Paulina Aguilera, Camilo Berrios-Pasten, Marcelo Veloso, Matias Galvez-Silva, Florian Turbant, Rosalba Lagos, Frank Wien, Veronique Arluison, Andres E. Marcoleta
Summary: Epigallocatechin gallate (EGCG), a green tea flavonoid, can interfere with the formation of MccE492 amyloid fibers, resulting in the formation of amorphous aggregates and small oligomers. Although the aggregation process is not completely prevented, EGCG is still an interesting inhibitor of MccE492 and other bacterial amyloids.
Article
Chemistry, Physical
Tobias Guckeisen, Saman Hosseinpour, Wolfgang Peukert
Summary: The change in protein secondary structure affects functionality and performance, with proteins responding differently to chemical denaturation in different environments. The liquid/air interface can either enhance or decrease protein conformation stability, while the presence of urea induces denaturation in bulk solution but may be prevented at the liquid/air interface.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Kevin Martens, Timon Funck, Eva Y. Santiago, Alexander O. Govorov, Sven Burger, Tim Liedl
Summary: Chirality is a fundamental feature in various domains of nature, and this study explores the interaction between light and chiral nanostructures. Using DNA origami, the researchers assembled plasmonic nanoparticles to investigate their impact on optical near fields. They also designed and implemented sign-flipping signals through the addition or removal of particles. The study revealed the previously unrecognized phenomenon of chiral plasmonic-dielectric coupling in DNA-based plasmonic nanostructures.
Article
Biology
Andrew J. J. Miles, Elliot D. D. Drew, B. A. Wallace
Summary: This article presents a new method and reference dataset for analyzing and determining the secondary structures of proteins that contain intrinsically disordered regions.
COMMUNICATIONS BIOLOGY
(2023)
Article
Chemistry, Physical
Duy Duc Nguyen, Nykola C. Jones, Soren V. Hoffmann, Jens Spanget-Larsen
Summary: The UV absorbance spectra of trans-stilbene (DPE) and (E,E')-1,4-diphenyl-1,3-butadiene (DPB) were studied using Synchrotron Radiation Linear Dichroism (SRLD) spectroscopy with stretched polyethylene as an anisotropic solvent. The polarization data provided information about the transition moment directions of the observed spectral features. A comparison was made between the observed spectral bands and the results of quantum chemical calculations using LCOAO and TD-DFT with the CAM-B3LYP functional.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Betuel Yesiltas, Alyssa M. Soria Caindec, Pedro J. Garcia -Moreno, Simon Gregersen Echers, Tobias Hegelund Olsen, Nykola C. Jones, Soren V. Hoffmann, Paolo Marcatili, Michael T. Overgaard, Egon B. Hansen, Charlotte Jacobsen
Summary: This study investigated the emulsifying and antioxidant activity of 10 peptides derived from seaweed, meth-anotrophic bacteria, and potatoes. The factors responsible for the dual-functionality of these peptides were characterized and related to their ability to provide physical and oxidative stability in fish oil-in-water emulsions. The study found that certain peptides underwent structural changes when adsorbed at the oil-water interface, leading to improved physical stability. Among the tested peptides, KVKINETVEIKGKFHV was found to be the most effective in retarding lipid oxidation. However, it was noted that various factors, such as length, structure, charge, and interfacial tension, influenced the stability of the emulsions. Overall, KVKINETVEIKGKFHV demonstrated high effectiveness as both an emulsifier and antioxidant.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Physical
Tomas Ovad, Marin Sapunar, Stepan Srsen, Petr Slavicek, Zdenek Masin, Nykola C. Jones, Soren Vronning Hoffmann, Milos Rankovic, Juraj Fedor
Summary: C4F7N is a promising alternative to sulfur hexafluoride as an insulating medium. In this study, the chemical changes and formation of neutral fragments in the molecule upon collision with free electrons were investigated using VUV photoabsorption spectroscopy and electron energy loss spectroscopy. The results showed that the distribution of states populated by electron impact is different from that following photoabsorption. Additionally, a new computational protocol for simulating EELS spectra was proposed, and non-statistical product distribution was observed in the electron-induced neutral dissociation process.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Michael H. Palmer, Marcello Coreno, Monica de Simone, Cesare Grazioli, Nykola C. Jones, Soren Vronning Hoffmann, R. Alan Aitken, Dheirya K. Sonecha
Summary: A synchrotron-based photoionization spectrum up to 27 eV provides improved resolution compared to early He(I) and He(II) spectra. Symmetry-adapted coupled cluster calculations and density functional calculations were performed to determine the vertical and adiabatic ionization energies of different ionic states. Franck-Condon procedures were used to analyze the spectral onset, which showed the overlapping of 1(2)B(2) and 1(2)B(1) states. Vibronic coupling between these states was confirmed, and the lack of degradation in the vibrational envelope of the higher energy state was observed.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Klara Volckaert, Paulina Majchrzak, Deepnarayan Biswas, Alfred J. H. Jones, Marco Bianchi, Zhihao Jiang, Raphael Dubourg, Rasmus Ornekoll Stenshoj, Mads Lykke Jensen, Nykola C. Jones, Soren V. Hoffmann, Jian-Li Mi, Martin Bremholm, Xing-Chen Pan, Yong P. Chen, Philip Hofmann, Jill A. Miwa, Soren Ulstrup
Summary: Modification of the electronic structure of MnBi2Te4 based magnetic topological insulators by ad atom deposition was studied using micro-focused angle-resolved photoemission spectroscopy. The deposition of rubidium atoms resulted in complex changes in the band structure, including coverage-dependent ambipolar doping effects, removal of surface state hybridization, and collapse of a surface state band gap. Doping-dependent band bending also gave rise to tunable quantum well states. These findings provide new ways to exploit the topological states and rich surface electronic structures of manganese bismuth tellurides.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Medicinal
Alison Rodger, Junya Kitamura, Akihiro Sato, Ping Shao
Summary: In this study, a Jasco J-1500 circular dichroism spectropolarimeter was used with a microvolume Couette flow cell and appropriate cut-off filters to measure the excitation fluorescence detected linear dichroism (FDLD) of fluorophores in liposomal membranes. The FDLD spectrum selectively probes the fluorophore(s) and eliminates scattering, providing valuable information on analyte orientations in the membrane. Data for gramicidin, anthracene, and pyrene are presented, and issues with photon leakage from the long pass filters used are discussed.
Article
Chemistry, Physical
Michael H. H. Palmer, Soren Vronning Hoffmann, Nykola C. C. Jones, Marcello Coreno, Monica de Simone, Cesare Grazioli, R. Alan Aitken, Coralyse Peureux
Summary: A synchrotron-based VUV spectrum of QC has been studied, and extensive vibrational structure has been extracted. The structure is attributed to Rydberg states, which appear before the valence states. Both SAC-CI and TDDFT methods have been used to calculate these states, and a close correlation with B3LYP results is observed. The determination of the experimental band positions has been assisted by FC fits, and the HT vibrational profiles for the RS have been found to be more intense than the FC ones at high energy.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Mechanics
I. Pincus, A. Rodger, J. Ravi Prakash
Summary: Although the nonequilibrium behavior of polymer solutions is generally well understood in extensional flow, there are still unanswered questions for dilute solutions in simple shear flow, and quantitative agreement with experiments has not been achieved.
JOURNAL OF RHEOLOGY
(2023)
Article
Instruments & Instrumentation
Henrik B. Pedersen, Sofie J. Lanng, Bjoern Bastian, Lasse S. Harbo, Soren V. Hoffmann, Nykola C. Jones, Marcel Mudrich, Torsten A. Nielsen, Annette Svendsen, Ricky Teiwes
Summary: We describe the commissioning of a new electron-ion coincidence spectrometer used to diagnose the photon beam from a plane grating monochromator beamline at the ASTRID2 synchrotron radiation facility. The spectrometer allows determination of the absolute photon intensity by calibration to the photoabsorption cross sections of known gases, such as the rare gases Ar, Kr, and Xe presented here. The spectrometer operates at very low pressure (similar to 10(-8)-10(-9) mbar) and-due to the coincidence electron-ion detection scheme-the detector efficiencies can be determined routinely; hence, the spectrometer can be recalibrated swiftly. By variation of a single potential of the spectrometer, the content of higher order radiation in the monochromatized synchrotron radiation can be analyzed. The layout and operation of the synchrotron radiation beamline at ASTRID2 and its additional photon diagnostic units are additionally described.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2023)
Article
Spectroscopy
P. A. S. Randi, D. F. Pastega, M. H. F. Bettega, N. C. Jones, S. V. Hoffmann, S. Eden, A. Souza Barbosa, P. Limao-Vieira
Summary: Absolute cross-section values of gas-phase formic acid in the VUV range have been measured and analyzed, revealing previously unreported vibronic features and active vibrational modes. The photoabsorption measurements also provide information on the photolysis lifetime of formic acid at different altitudes. The combination of experimental and theoretical methods allows for a comprehensive understanding of the electronic transitions and potential energy curves.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Multidisciplinary Sciences
Jana Bockova, Nykola C. Jones, Jeremie Topin, Sren V. Hoffmann, Cornelia Meinert
Summary: A recent study suggests that the presence of l-amino acids in meteorites indicates a non-Earth origin of biological homochirality. The authors propose that stellar UV circularly polarized light may be responsible for the symmetry breaking in space. Experimental results show that circularly polarized starlight can lead to the amplification of l-enantiomeric excesses during the alteration of meteorite parent bodies.
NATURE COMMUNICATIONS
(2023)
Article
Physics, Multidisciplinary
Marco Bianchi, Philip Hofmann, Soren V. Hoffmann, Nykola C. Jones, Zheshen Li, Jill A. Miwa, Soren P. Moller, Jorgen S. Nielsen, Heine D. Thomsen, Soren Ulstrup, Torben Worm
Summary: ASTRID2 is a third-generation UV to soft X-ray light source at Aarhus University in Denmark, providing a user beam in top-up mode 24/7 for about 40 weeks per year to both local university research groups and external visitors. This article presents the facility, beam line suite, scientific examples, and discusses recent upgrades and future plans.
EUROPEAN PHYSICAL JOURNAL PLUS
(2023)
Article
Optics
P. A. S. Randi, S. Kumar, A. Lozana, M. H. F. Bettega, S. V. Hoffmann, N. C. Jones, A. Souza Barbosa, P. Limao-Vieira
Summary: The electronic state spectroscopy of 2-fluorotoluene in the gas phase was investigated for the first time using high-resolution vacuum ultraviolet photoabsorption experiments. Absolute cross-section measurements were obtained. Ab initio calculations were performed at two different levels of theory to assign valence, mix valence-Rydberg and Rydberg transitions. The photolysis lifetime of 2-fluorotoluene in the Earth's atmosphere was calculated using the measured absolute photoabsorption cross sections.
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
(2023)
Article
Chemistry, Multidisciplinary
Anastasiia Tukova, Mohammad Tavakkoli Yaraki, Alison Rodger, Yuling Wang
Summary: This study investigates the adsorption kinetics of aromatic thiols on gold nanoparticles with different shapes using surface-enhanced Raman spectroscopy (SERS). The findings reveal significant differences in the adsorption behavior and binding site preferences of aromatic thiols on gold nanoparticles with distinct morphologies.
Article
Chemistry, Multidisciplinary
Paul Wormell, Pavel Michal, Adam Scott, Koushik Venkatesan, Kausala Mylvaganam, Tobias von Arx, Junya Kitamura, Jun Koshoubu, Alison Rodger
Summary: This study demonstrates the possibility of rapidly measuring vibrational linear dichroism infrared spectra using stretched polymer films and modified instrumentation. The approach is useful in analyzing and assigning complicated infrared spectra, but attention should be given to aggregation and resonance phenomena in surface infrared spectra.
Article
Chemistry, Multidisciplinary
Anastasiia Tukova, Yihan Nie, Mohammad Tavakkoli Yaraki, Ngoc Thanh Tran, Jiaqiu Wang, Alison Rodger, Yuantong Gu, Yuling Wang
Summary: Gold nanoparticles (AuNPs) undergo changes upon contact with biological media, leading to the formation of protein corona (PC) around the particles. Understanding the mechanisms and functions of PC formation is important for utilizing its benefits and avoiding drawbacks. This study investigates the differences in PC formation on spherical and anisotropic AuNPs, revealing that protein does not fully cover the surface of anisotropic nanoparticles, providing potential binding sites for analytes while stabilizing the AuNPs.
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)