Review
Chemistry, Multidisciplinary
Hyejin Park, Qiu Wang
Summary: This review introduces recent advances in hyperpolarized N-15-labeled molecular imaging probes, including endogenous substances, drug molecules, chemical sensors, and various N-15-tagged biomolecules. Through these examples, the review provides insights into target selection, probe design rationale, and inherent challenges in hyperpolarized imaging, aiming to facilitate future development of N-15-based biomedical imaging agents and their applications.
Article
Multidisciplinary Sciences
Yutaro Saito, Hiroyuki Yatabe, Iori Tamura, Yohei Kondo, Ryo Ishida, Tomohiro Seki, Keita Hiraga, Akihiro Eguchi, Yoichi Takakusagi, Keisuke Saito, Nobu Oshima, Hiroshi Ishikita, Kazutoshi Yamamoto, Murali C. Krishna, Shinsuke Sando
Summary: Dynamic nuclear polarization (DNP) is an advanced technique that enhances the detection sensitivity of molecules in nuclear magnetic resonance (NMR)/magnetic resonance imaging (MRI). This study successfully developed a DNP-NMR molecular probe for in vivo detection of aminopeptidase N activity through precise structural investigation, calculation, biochemical assessment, and advanced molecular design.
Article
Radiology, Nuclear Medicine & Medical Imaging
Donghyun Hong, Georgios Batsios, Pavithra Viswanath, Anne Marie Gillespie, Manushka Vaidya, Peder E. Z. Larson, Sabrina M. Ronen
Summary: The study successfully enhanced the ability to monitor the metabolism of [2-C-13]pyruvate and [1-C-13]alpha-ketoglutarate in rat orthotopic brain tumor models by combining a specialized acquisition method, denoising, and a new quantification pipeline using LCModel. This approach could have broad applications to other hyperpolarized agents in both preclinical and clinical settings.
MAGNETIC RESONANCE IN MEDICINE
(2022)
Article
Oncology
Arthur Ungerer, Theresa Staufer, Oliver Schmutzler, Christian Koernig, Kai Rothkamm, Florian Gruener
Summary: The study demonstrates the potential application of X-ray fluorescence imaging for tracking genetically modified immune cells in cancer therapy, providing computer simulation results. Immune cells labeled with gold nanoparticles can be detected using their setup, showing feasibility for immune cell tracking in human-sized objects. The findings suggest that current technological developments form a good basis for high sensitivity X-ray fluorescence imaging.
Article
Biophysics
Sourav Bhaduri, Claire Louise Kelly, Clementine Lesbats, Jack Sharkey, Lorenzo Ressel, Soham Mukherjee, Mark David Platt, Edward J. Delikatny, Harish Poptani
Summary: The changes in glioblastoma metabolism in response to the choline kinase inhibitor JAS239 were investigated using magnetic resonance spectroscopy. The study found that JAS239 treatment resulted in reduced phospholipid metabolism, tumor growth arrest, and increased cell death in glioblastoma models.
NMR IN BIOMEDICINE
(2023)
Article
Chemistry, Physical
Wiktor Zierkiewicz, Anna Grabarz, Mariusz Michalczyk, Steve Scheiner
Summary: The research focused on the feasibility of using PHIP technology for MRI of fumarate metabolism, developing a cost-effective and high-yield synthetic pathway for hydrogenating ADC. The trans-selectivity of the hydrogenation reaction of ADC using a ruthenium-based catalyst was elucidated. The experimental results demonstrated the generation of sufficiently polarized [1-C-13]fumarate using a simple PHIP setup, which was used for detecting hyperpolarized C-13 malate in murine liver tissue and for in vivo C-13 MR spectroscopy and imaging in a mouse model of acetaminophen-induced hepatitis.
Article
Psychiatry
Vera J. Erchinger, Alexander R. Craven, Lars Ersland, Ketil J. Oedegaard, Christoffer A. Bartz-Johannessen, Asa Hammar, Jan Haavik, Frank Riemer, Ute Kessler, Leif Oltedal
Summary: Based on previous research, we propose a model where disruption, potentiation, and rewiring of brain networks occur in sequence and serve as the therapeutic mechanism of electroconvulsive therapy (ECT). Our results suggest that tNAA levels decrease after ECT treatment but return to baseline after 6 months, supporting the disrupt, potentiate, and rewire model.
FRONTIERS IN PSYCHIATRY
(2023)
Article
Multidisciplinary Sciences
Kazutoshi Yamamoto, Ana Opina, Deepak Sail, Burchelle Blackman, Keita Saito, Jeffrey R. Brender, Ronja M. Malinowski, Tomohiro Seki, Nobu Oshima, Daniel R. Crooks, Shun Kishimoto, Yu Saida, Yasunori Otowa, Peter L. Choyke, Jan H. Ardenkjaer-Larsen, James B. Mitchell, W. Marston Linehan, Rolf E. Swenson, Murali C. Krishna
Summary: NAC, as a novel hyperpolarized C-13 MRI probe, shows potential as a non-invasive biomarker for monitoring in vivo redox status, and could be translatable to clinical diagnosis. Its ability to monitor glutathione redox chemistry makes it valuable in metabolic research and therapy development.
SCIENTIFIC REPORTS
(2021)
Article
Medicine, Research & Experimental
Christian Prinz, Ludger Starke, Jason M. Millward, Ariane Fillmer, Paula Ramos Delgado, Helmar Waiczies, Andreas Pohlmann, Michael Rothe, Marc Nazare, Friedemann Paul, Thoralf Niendorf, Sonia Waiczies
Summary: This study successfully demonstrated the feasibility of using F-19 MR methods to detect TF in vivo, showing a significant correlation between TF concentrations and F-19 MR signals. The results highlight the potential application of F-19 MR technology in monitoring neuro-inflammation, emphasizing the need for further technological advancements in this field.
Article
Chemistry, Multidisciplinary
Xin-yu Wang, Yan Wang, Qiong Wu, Jing-jing Liu, Yu Liu, Dong-hui Pan, Wei Qi, Li-zhen Wang, Jun-jie Yan, Yu-ping Xu, Guang-ji Wang, Li-yan Miao, Lei Yu, Min Yang
Summary: Tracking of CAR T cells in vivo using Ga-68 as a PET tracer shows promising results with low absorbed dose and potential for clinical translation. The distribution and homing behavior of CAR T cells in the early stage correlates with their long-term fate in vivo.
ACTA PHARMACOLOGICA SINICA
(2021)
Article
Multidisciplinary Sciences
Ji Won Park, Barbora Piknova, Peter J. Walter, Hongyi Cai, Supranee Upanan, Samantha M. Thomas, Khalid J. Tunau-Spencer, Alan N. Schechter
Summary: This study found that dietary nitrate is rapidly absorbed and converted into nitrite, thereby increasing the availability of nitrite and nitric oxide in the body. This suggests that nitrate-enriched diets can effectively enhance the bioavailability of nitrite and nitric oxide.
SCIENTIFIC REPORTS
(2023)
Article
Agronomy
Letusa Momesso, Carlos Alexandre Costa Crusciol, Carlos Antonio Costa do Nascimento, Rogerio P. Soratto, Lucas Pecci Canisares, Luiz Gustavo Moretti, Ciro Antonio Rosolem, Paulo Cesar Ocheuze Trivelin, Eiko Eurya Kuramae, Heitor Cantarella
Summary: Early nitrogen application on live cover crops or their residues can meet nitrogen demand and increase the yield of subsequent cash crops in tropical regions. The conventional method of nitrogen fertilizer application allows higher nitrogen recovery and maize yield.
EUROPEAN JOURNAL OF AGRONOMY
(2022)
Article
Chemistry, Multidisciplinary
Alice Radaelli, Daniel Ortiz, Alessia Michelotti, Maxime Roche, Ryunosuke Hata, Shinsuke Sando, Olivier Bonny, Rolf Gruetter, Hikari A. I. Yoshihara
Summary: This study demonstrates the feasibility of using spin hyperpolarization to perform real-time metabolic imaging of carbon-13-labeled substrates. It shows that hyperpolarized L-(1-13C)alaninamide can serve as a probe to detect the activity of the cell-surface tumor marker aminopeptidase-N. Furthermore, it reveals that the chemical shift of alaninamide is pH-sensitive and can be used to measure the pH levels in different compartments.
Article
Medicine, Research & Experimental
Jing Lu, Ying Li, Yong Ai Li, Li Wang, An Rong Zeng, Xiao Liang Ma, Jin Wei Qiang
Summary: This study investigated the metabolic alterations and dysregulated metabolic pathways in paclitaxel-resistant epithelial ovarian cancer (EOC) using in vivo proton-magnetic resonance spectroscopy (H-1-MRS), metabolomics, and proteomics. The findings suggest that dysregulated choline metabolism is associated with paclitaxel resistance in EOC, and the elevated total choline (tCho) observed on in vivo H-1-MRS may serve as an indicator for paclitaxel resistance in EOC.
JOURNAL OF TRANSLATIONAL MEDICINE
(2022)
Article
Biochemistry & Molecular Biology
Bungo Shirouchi, Ayano Fukuda, Taiki Akasaka
Summary: Choline, betaine, and L-carnitine can be converted into trimethylamine (TMA) by gut microbiota and further oxidized into trimethylamine-N-oxide (TMAO). Elevated TMAO levels can have negative effects on human health. This study investigated the effects of different choline compounds on plasma TMAO levels and gut microbiota in rats. The results showed that dietary phosphatidylcholine (PC) did not increase plasma TMAO levels, while glycerophosphocholine (GPC) and choline chloride (CC) significantly increased TMAO levels. In terms of gut microbiota, certain species were found to be positively or negatively correlated with plasma TMAO levels. This study suggests that dietary PC, unlike GPC or CC, does not contribute to the increase in plasma TMAO levels in rats.
Article
Chemistry, Physical
Igor Koptyug, Quentin Stern, Sami Jannin, Stuart J. Elliott
Summary: Typical magnetic resonance experiments are often limited by weak signal responses. This research demonstrates an accurate and rapid method to quantify the H-1 polarization level of hyperpolarized water.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Review
Cell Biology
Angela Rocca, Ruud B. van Heeswijk, Jonas Richiardi, Philippe Meyer, Roger Hullin
Summary: Heart failure with preserved left ventricular ejection fraction (HFpEF) is a prevalent form of heart failure, but its pathophysiology is not fully understood and the patient population is heterogeneous. Recent studies using animal models have provided new insights into the cellular pathophysiology of HFpEF, which may lead to the development of new therapeutic targets.
Review
Cardiac & Cardiovascular Systems
Augustin C. Ogier, Aurelien Bustin, Hubert Cochet, Juerg Schwitter, Ruud B. Van Heeswijk
Summary: Parametric mapping of the heart is an important tool in cardiovascular magnetic resonance imaging, allowing for tissue characterization and diagnosis of cardiovascular diseases. However, limited inter-center reproducibility and long acquisition times have hindered its widespread use. New techniques and the use of artificial intelligence show promise in addressing these challenges.
FRONTIERS IN CARDIOVASCULAR MEDICINE
(2022)
Article
Chemistry, Multidisciplinary
Mattia Negroni, Ertan Turhan, Thomas Kress, Morgan Ceillier, Sami Jannin, Dennis Kurzbach
Summary: Nuclear magnetic resonance (NMR) spectroscopy is a crucial technique for molecular structure determination in solution. Dissolution dynamic nuclear polarization (DDNP) is a versatile approach that can achieve signal enhancements of over 10,000-fold. However, the applicability of DDNP is limited by paramagnetic relaxation enhancements (PREs) caused by co-dissolved radicals. Using potassium nitrosodisulfonate (Fremy's salt) as a polarization agent can solve this problem and has shown promising potential.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Analytical
Roman Picazo-Frutos, Quentin Stern, John W. Blanchard, Olivier Cala, Morgan Ceillier, Samuel F. Cousin, James Eills, Stuart J. Elliott, Sami Jannin, Dmitry Budker
Summary: Zero- to ultralow-field nuclear magnetic resonance is a magnetic resonance experiment that does not require strong superconducting magnets. It allows high-resolution detection of nuclear magnetism through metal and within heterogeneous media. By using dissolution dynamic nuclear polarization, signals in zero-field nuclear magnetic resonance experiments can be enhanced on sample mixtures, and this technique can be applied to a wide range of molecules. The signal enhancements can reach up to 11,000 compared to thermal prepolarization in a 2 T permanent magnet. The relaxation effects of the TEMPOL radicals used in the hyperpolarization process at zero- and ultralow-fields are also investigated to further increase the signal in future experiments.
ANALYTICAL CHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
James Eills, Dmitry Budker, Silvia Cavagnero, Eduard Y. Chekmenev, Stuart J. Elliott, Sami Jannin, Anne Lesage, Joerg Matysik, Thomas Meersmann, Thomas Prisner, Jeffrey A. Reimer, Hanming Yang, Igor V. Koptyug
Summary: Magnetic resonance techniques, especially medical magnetic resonance imaging, are widely used in various scientific disciplines and practical applications. The development of spin hyperpolarization has greatly boosted both fundamental and applied magnetic resonance. Hyperpolarization techniques significantly enhance the signal intensity of magnetic resonance, overcoming its low sensitivity and opening up new possibilities for applications.
Article
Biochemical Research Methods
Cristina Cudalbu, Lijing Xin, Benedicte Marechal, Sarah Lachat, Florence Zangas-Gheri, Nathalie Valenza, Sylviane Hanquinet, Valerie A. McLin
Summary: The study analyzed the neurometabolic profile and brain morphometry of children with chronic, compensated liver disease, and found no significant differences compared to healthy individuals.
ANALYTICAL BIOCHEMISTRY
(2023)
Article
Radiology, Nuclear Medicine & Medical Imaging
Simon Kuhn, Aurelien Bustin, Aicha Lamri-Senouci, Simone Rumac, Jean-Baptiste Ledoux, Roberto Colotti, Jessica A. M. Bastiaansen, Jerome Yerly, Julien Favre, Patrick Omoumi, Ruud B. van Heeswijk
Summary: In this study, an isotropic three-dimensional (3D) T2 mapping technique was developed for the quantitative assessment of knee cartilage composition with high accuracy and precision. Improved accuracy and precision were demonstrated by using patch-based image denoising and dictionary-based reconstruction for T2 mapping of knee cartilage.
EUROPEAN RADIOLOGY EXPERIMENTAL
(2023)
Article
Physics, Atomic, Molecular & Chemical
Danila A. Barskiy, John W. Blanchard, Dmitry Budker, Quentin Stern, James Eills, Stuart J. Elliott, Roman Picazo-Frutos, Antoine Garcon, Sami Jannin, Igor V. Koptyug
Summary: The combination of nuclear hyperpolarization technique with (near-)zero-field modalities has great potential in various applications of nuclear magnetic resonance spectroscopy and imaging, such as biomedical diagnostics and monitoring catalytic reactions in metal reactors.
APPLIED MAGNETIC RESONANCE
(2023)
Article
Radiology, Nuclear Medicine & Medical Imaging
Quentin Raynaud, Giulia Di Domenicantonio, Jerome Yerly, Thomas Dardano, Ruud B. van Heeswijk, Antoine Lutti
Summary: This study aims to characterize cardiac-induced noise in brain maps of the MRI parameter R-2* and propose a tentative sampling strategy to mitigate the noise. The results show that cardiac pulsation accounts for variability in R-2* maps and the noise fluctuates throughout the cardiac cycle. The tentative noise mitigation strategy reduces variability in R-2* maps within the brainstem and across the whole brain.
MAGNETIC RESONANCE IN MEDICINE
(2023)
Article
Radiology, Nuclear Medicine & Medical Imaging
Jessie Mosso, Dunja Simicic, Bernard Lanz, Rolf Gruetter, Cristina Cudalbu
Summary: This study proposes a new sequence, DW-SPECIAL, for improving the detection and estimation of strongly J-coupled metabolites in diffusion-weighted MRS. Compared to the current gold standard sequence, DW-SPECIAL achieves a shorter echo time, reducing signal loss caused by J-evolution. In vivo experiments demonstrate that DW-SPECIAL yields similar spectral quality and improved estimates of J-coupled metabolites, expanding the range of accessible metabolites in diffusion-weighted spectroscopy.
MAGNETIC RESONANCE IN MEDICINE
(2023)
Review
Endocrinology & Metabolism
Katarzyna Pierzchala, Anna Hadjihambi, Jessie Mosso, Rajiv Jalan, Christopher F. F. Rose, Cristina Cudalbu
Summary: Brain edema is a common feature of hepatic encephalopathy, but its role as a cause or consequence of the condition is still debated. Type A and type C hepatic encephalopathy have different manifestations of brain edema. This review revisits the central role of brain edema in the pathogenesis of hepatic encephalopathy and provides an in-depth analysis of the techniques used to measure brain edema and the findings from various studies.
METABOLIC BRAIN DISEASE
(2023)
Article
Materials Science, Multidisciplinary
Alessandro Chessari, Samuel F. Cousin, Sami Jannin, Quentin Stern
Summary: Dynamic nuclear polarization (DNP) can greatly enhance nuclear magnetic resonance signals by creating non-equilibrium nuclear spin polarization. The diffusion of nuclear spin polarization near paramagnetic dopants plays a crucial role in DNP, but its mechanism still lacks full understanding. This paper demonstrates that the polarization of electron spin has a significant impact on the proton spin diffusion rate in a DNP sample at low temperature and high magnetic field, with spin diffusion disappearing at high electron polarization. A 2 nucleus-1 electron model and Lindblad's master equation are used to explain the results, which generalize existing models and qualitatively account for the observed spin diffusion dynamics.
Review
Cardiac & Cardiovascular Systems
Aurelien Bustin, Walter R. T. Witschey, Ruud B. van Heeswijk, Hubert Cochet, Matthias Stuber
Summary: Cardiac magnetic resonance has great potential in improving cardiovascular care and patient management. Myocardial T1 rho mapping, as a contrast-agent-free diagnostic marker, has emerged as a promising biomarker for quantifying myocardial injuries. Its potential impact lies in its needle-free and cost-effective nature, which can greatly improve clinical outcomes and patient comfort.
JOURNAL OF CARDIOVASCULAR MAGNETIC RESONANCE
(2023)
Article
Radiology, Nuclear Medicine & Medical Imaging
Clemence Ligneul, Chloe Najac, Andre Doring, Christian Beaulieu, Francesca Branzoli, William T. Clarke, Cristina Cudalbu, Guglielmo Genovese, Saad Jbabdi, Ileana Jelescu, Dimitrios Karampinos, Roland Kreis, Henrik Lundell, Malgorzata Marjanska, Harald E. Moeller, Jessie Mosso, Eloise Mougel, Stefan Posse, Stefan Ruschke, Kadir Simsek, Filip Szczepankiewicz, Assaf Tal, Chantal Tax, Georg Oeltzschner, Marco Palombo, Itamar Ronen, Julien Valette
Summary: Brain cell structure and function reflect neurodevelopment, plasticity, and aging, and can help identify pathological processes. Noninvasively unraveling cellular structural features is important in brain research. Diffusion-weighted MRS remains a challenging technique in data acquisition, analysis, quantification, modeling, and interpretation.
MAGNETIC RESONANCE IN MEDICINE
(2023)
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)
