Article
Optics
Wei Wu, Jun-Hong An
Summary: The study proposes a Gaussian quantum metrology scheme using bimodal quantized optical fields as the quantum probe, achieving precision close to the sub-Heisenberg limit in ideal conditions. However, Markovian decoherence leads to divergent metrological errors, which can be overcome by non-Markovian dynamics. This provides an efficient way to achieve high-precision quantum metrology in practical continuous-variable systems.
Article
Environmental Sciences
Tao Wang, Shejun Chen, Nan Ding, Haifeng Gu, Yuan Zeng, Yufeng Guan, Bixian Mai
Summary: This study investigated the concentrations of PAHs in PM2.5 at rural e-waste recycling sites and background locations in Southern China, revealing that informal e-waste dismantling is a significant source of PAHs. Seasonal variations showed higher concentrations in winter, associated with intensified e-waste dismantling activities, with potential markers identified for field informal e-waste burning sources.
ATMOSPHERIC ENVIRONMENT
(2022)
Article
Hematology
Fatma Isik Ustok, James A. Huntington
Summary: The prothrombinase complex processes prothrombin to thrombin through sequential cleavage, with the order of cleavage determined by the presence or absence of cofactor and membrane. The docking of prothrombin on factor Va plays a crucial role in determining the cleavage order, with Arg320 being presented for initial cleavage. The a1-loop sequence also plays a critical role in prothrombin binding and cleavage.
Article
Cell Biology
Luxing Ge, Jian Kang, Xiangchen Dong, Deji Luan, Guanghua Su, Guangpeng Li, Yong Zhang, Fusheng Quan
Summary: This study successfully utilized CRISPR/Cas9 technology to achieve gene mutation and insertion in the bovine genome, confirming the effectiveness of this gene editing strategy. Mutant myoblasts exhibited higher proliferation, myogenic differentiation, and adipogenic transdifferentiation abilities, providing breeding material and technical strategy for high-quality bovine breeding.
JOURNAL OF CELLULAR PHYSIOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Soichiro Yoshimoto, Hiroto Ogata
Summary: This study reports a method of planting and isolating organothiols onto a 2D patterned organic adlayer at an electrochemical interface, suggesting potential applications for 2D patterns of isolated single organothiol molecules.
Article
Materials Science, Multidisciplinary
Tom Morel, Christophe Mora
Summary: The study reveals that introducing different periodicities into a Josephson junction in a resistor environment can lead to competition between different phases, resulting in nonmonotonic temperature dependence of the differential resistance. This phenomenon is particularly significant at low temperatures and can be confirmed by fermionization and models such as helical wires.
Article
Plant Sciences
Xia Li, Geng Chen, Qing-Qing Gao, Chun-Fan Xiang, Cheng-Xiao Yuan, Xiao-Ning Li, Yan-Yu Shu, Guang-Hui Zhang, Yan-Li Liang, Sheng-Chao Yang, Chen-Xi Zhai, Yan Zhao
Summary: This study explored the key enzymes involved in cucurbitacins biosynthesis in the Chinese traditional medicinal plant Hemsleya chinensis. Using AlphaFold2 and molecular docking, the researchers successfully predicted the 3D structure of HcOSC6 and its binding features to 2,3-oxidosqualene. Mutagenesis experiments identified three key amino acid residues, E246, M261, and D490, which significantly affected the activity of HcOSC6. This study not only characterized three potential key residues for producing cucurbitacins, but also provided insights into their significant role in metabolic engineering.
FRONTIERS IN PLANT SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Fan Xie, Wenhao Sun, Beppo Hartwig, Daniel A. Obenchain, Melanie Schnell
Summary: The role-exchanging concerted torsional motion of two hydrogen atoms in the homochiral dimer of trans-1,2-cyclohexanediol was characterized through a combination of rotational spectroscopy and theoretical modeling. The results show that the hydrogen atoms exhibit a concerted tunneling motion, leading to the inversion of the dipole moment components. This motion is coupled with acceptor switching motions and has important implications for understanding chirality in intermolecular interactions and dynamics.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Yiying Yan, Tadele T. Ergogo, Zhiguo Lu, Lipeng Chen, JunYan Luo, Yang Zhao
Summary: The study focuses on the vacuum Rabi splitting of a qubit ultrastrongly coupled to a cavity mode and a radiation reservoir, showing that the Lamb shift plays an essential role in modifying the coupling. As the cavity-qubit coupling increases, the emission spectrum undergoes changes with peaks narrowing and broadening until they have similar widths.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Physics, Multidisciplinary
Dieter Schuch, Moise Bonilla-Licea
Summary: In a recent paper, the relationship between uncertainties and the phase and amplitude of the complex wave function in Madelung's hydrodynamic formulation of quantum mechanics was demonstrated. A dissipative environment was then introduced via a nonlinear modified Schrodinger equation. The effect of the environment was described by a complex logarithmic nonlinearity that vanished on average, but still caused various changes in the dynamics of the uncertainties. This was illustrated using generalized coherent states as examples, with a particular focus on connections between the quantum mechanical contribution to energy and the uncertainty product and the thermodynamic properties of the environment.
Review
Computer Science, Information Systems
Kelly J. Thomas Craig, Van C. Willis, David Gruen, Kyu Rhee, Gretchen P. Jackson
Summary: A systematic review was conducted to identify workplace interventions to mitigate physician burnout related to the digital environment. The study found that optimizing technologies, providing training, reducing documentation time, expanding the care team, and applying quality improvement processes in workflows were effective strategies to reduce burnout.
JOURNAL OF THE AMERICAN MEDICAL INFORMATICS ASSOCIATION
(2021)
Review
Chemistry, Multidisciplinary
Austin Gamble Jarvi, Xiaowei Bogetti, Kevin Singewald, Shreya Ghosh, Sunil Saxena
Summary: This Account showcases the use of site-directed Cu2+ labeling in proteins and DNA for measuring biomolecular structure and dynamics with electron paramagnetic resonance (EPR) spectroscopy. The labeling scheme provides a straightforward method for obtaining biophysical information that is not accessible using traditional EPR labels. The integration of molecular dynamics (MD) simulations with EPR distance information is expected to advance our understanding of protein and DNA conformational changes and interactions.
ACCOUNTS OF CHEMICAL RESEARCH
(2021)
Review
Chemistry, Multidisciplinary
Erica Del Grosso, Elisa Franco, Leonard J. Prins, Francesco Ricci
Summary: DNA nanotechnology is a powerful tool for designing and controlling molecular systems. Dissipative DNA nanotechnology aims to build life-like systems by combining programmable reactions with energy-dissipating processes.
Article
Chemistry, Physical
Karsten Lucht, Karina Morgenstern
Summary: The study reveals that functionalized azobenzene molecules form water-azobenzene complexes in the presence of water, which prefer linear arrangements mediated by functionalized end groups. These complexes can serve as model systems for investigating the influence of a solvent on surface reactions.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Physics, Multidisciplinary
Wei Nie, Mauro Antezza, Yu-xi Liu, Franco Nori
Summary: This study investigates the protection of topological order and the occurrence of topological phase transitions in a topological emitter array coupled to an electromagnetic environment. The research reveals that a critical photon-emitter coupling can lead to a dissipative topological phase transition, while strong coupling can result in robust dissipationless edge states. This work demonstrates the potential of manipulating topological quantum matter with electromagnetic environments.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Nadav Snir, Maytal Caspary Toroker
Summary: In this study, the role of interactions between catalytic sites in hematite for catalytic water splitting was investigated. It was found that the interactions between catalytic sites can hinder catalysis and affect the reaction kinetics. Controlling neighboring site interactions provides a potential avenue for improving catalysis.
Article
Chemistry, Physical
Eitan Yohanan, Maytal Caspary Toroker
Summary: The research investigates the impact of interlayer arrangements of two dimensional materials on the catalytic performance of beta-NiOOH, revealing that small shifts between the layers can enhance OER activity.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Multidisciplinary Sciences
Shaghayegh Naghdi, Alexey Cherevan, Ariane Giesriegl, Remy Guillet-Nicolas, Santu Biswas, Tushar Gupta, Jia Wang, Thomas Haunold, Bernhard Christian Bayer, Gunther Rupprechter, Maytal Caspary Toroker, Freddy Kleitz, Dominik Eder
Summary: In this study, the authors demonstrate that selective ligand removal in metal-organic frameworks (MOFs) can introduce new active sites and mesopores, leading to enhanced photocatalytic hydrogen evolution. This strategy allows for the purposeful engineering of hierarchical MOFs, advancing their applicability in environmental and energy technologies.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Medicinal
Juan Antonio Seijas-Bellido, Bipasa Samanta, Karen Valadez-Villalobos, Juan Jesus Gallardo, Javier Navas, Salvador R. G. Balestra, Rafael Maria Madero Castro, Jose Manuel Vicent-Luna, Shuxia Tao, Maytal Caspary Toroker, Juan Antonio Anta
Summary: In this study, a transferable classical force field was used to describe the mixed hybrid perovskite MA(x)FA(1)-xPb(BryI1-y)(3). The resulting model successfully reproduced the XRD patterns and lattice expansion of the material. Molecular dynamics simulations were carried out to extract the ion diffusion coefficients and provide theoretical upper limits for ion migration dynamics in photovoltaic perovskite devices.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Multidisciplinary
Shaghayegh Naghdi, Emily Brown, Mohammad Zendehbad, Ann Duong, Wolfgang Ipsmiller, Santu Biswas, Maytal Caspary Toroker, Hossein Kazemian, Dominik Eder
Summary: Selective removal of one ligand in mixed-ligand MOFs creates hierarchical pore architectures with improved adsorption capacity for glyphosate removal from water. The Ti-OH groups resulting from ligand removal serve as effective anchor points for glyphosate uptake. The introduction of additional mesopores has significantly increased the adsorption capacities, making these MOFs among the best-reported adsorbents.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Eti Barazani, Dip Das, Chubin Huang, Abhishek Rakshit, Cecile Saguy, Pavel Salev, Javier del Valle, Maytal Caspary Toroker, Ivan K. K. Schuller, Yoav Kalcheim
Summary: The effects of strain on the metal-insulator phase transitions in V2O3 are explored. It is found that the expansion of the ab-plane is crucial for inducing negative pressure effects in the films. The findings provide insights into manipulating a Mott transition in V2O3 and expanding its potential applications in electronics.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
Pablo Ayala, Shaghayegh Naghdi, Sreejith P. Nandan, Stephen Nagaraju Myakala, Jakob Rath, Hikaru Saito, Patrick Guggenberger, Lakhanlal Lakhanlal, Freddy Kleitz, Maytal Caspary Toroker, Alexey Cherevan, Dominik Eder
Summary: COK-47 is a promising metal-organic framework (MOF) for photocatalytic water splitting. It exhibits high activity and is responsive to visible light. The study demonstrates that particle morphology, surface area, and missing ligand defects are crucial parameters affecting the material's performance. COK-47(ISO) is among the most active MOFs to date, achieving a hydrogen evolution rate of 8.6 μmol h(-1) and an apparent quantum yield of 0.5% under visible light illumination.
ADVANCED ENERGY MATERIALS
(2023)
Article
Energy & Fuels
Gabriela Ben-Melech Stan, Sofia Blyufer, Maya Volk, Maytal Caspary Toroker
Summary: 2D materials, such as molybdenum disulfide, have attracted a lot of attention recently due to their unique properties, especially their catalytic ability for energy technology applications. However, there is still a lack of comprehensive understanding of metal/semiconductor heterojunctions containing 2D metallic monolayers other than graphene. This study simulates the charge transport through heterojunctions and finds that systems with a chromium disulfide semiconductor monolayer have more efficient charge transport compared to systems with MoS2 or tungsten disulfide. The electron-electron interaction increases the charge transmission probability from the metal to the semiconductor in all systems.
Review
Chemistry, Physical
Lakhanlal, Maytal Caspary Toroker
Summary: This article highlights the significance of the electronic conductivity of electrocatalysts in the water splitting reaction. It discusses the limitations of direct measurements and the importance of modeling surface structures for accurate calculations of electronic conductivity.
CURRENT OPINION IN ELECTROCHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Nadav Snir, Maytal Caspary Toroker
Summary: In this study, the inner sphere component of the reorganization energy that contributed to the activation energies was calculated using a novel algorithm based on Marcus theory combined with the climbing image nudged elastic band method. The new method was tested in both acidic and basic conditions with explicit and implicit solvation. It was found that the reaction involving the transition of the *O intermediate into *OOH had the highest activation energy, which explained the high coverage of the *O intermediate found in experiments.
ADVANCED THEORY AND SIMULATIONS
(2023)
Article
Multidisciplinary Sciences
Yair Reichman, Maytal Caspary Toroker
Summary: Charge transport via interfaces is crucial for understanding the limitations of electronic devices. This study investigates the electronic properties of heterostructures formed by semiconductors with zinc-blende unit cells in contact. It examines the changes in band-gap values and potential energy at the interface region. The primary conclusion is that the electrostatic potential of the system determines the unique properties of the heterostructure, and the transmission coefficient of the electronic wave function at the interface can be predicted by examining the material's potential parameters.
ADVANCED THEORY AND SIMULATIONS
(2023)
Article
Chemistry, Physical
Eitan Yohanan, Maytal Caspary Toroker
Summary: Hydrogen fuel generated through water splitting is an eco-friendly and renewable alternative to fossil fuels. A study using density functional theory reveals that a two-dimensional bilayer system composed of defected graphene and Fe-doped β-Ni(OH)2 acts as an efficient catalyst for the oxygen evolution reaction (OER) with a low overpotential. It is found that greater sliding energy between layers, along with an optimal concentration of carbon vacancies, enhances adhesion and electron transfer, leading to a reduced OER overpotential.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Wenjamin Moschkowitsch, Bipasa Samanta, Noam Zion, Hilah C. C. Honig, David A. A. Cullen, Maytal Caspary Toroker, Lior Elbaz
Summary: In this study, porphyrin aerogels containing Ni and NiFe mixed metal materials were synthesized and studied as catalysts for the oxygen evolution reaction (OER). The results showed that Ni and Fe have a synergistic effect on the OER, despite being structurally separated.
Review
Chemistry, Multidisciplinary
Bipasa Samanta, Angel Morales-Garcia, Francesc Illas, Nicolae Goga, Juan Antonio Anta, Sofia Calero, Anja Bieberle-Hutter, Florian Libisch, Ana B. Munoz-Garcia, Michele Pavone, Maytal Caspary Toroker
Summary: Understanding the water splitting mechanism in photocatalysis is crucial for producing clean fuel in the future. Different theoretical methods at various scales have strengths and drawbacks, and a combination of methods is needed to model complex nano-photocatalysts accurately.
CHEMICAL SOCIETY REVIEWS
(2022)
Article
Chemistry, Physical
Roni Eppstein, Maytal Caspary Toroker
Summary: In this study, the effects of oxygen vacancies on the electronic structure and charge transport properties of ternary spinel oxides were investigated using density functional theory + U (DFT + U). It was found that the formation energy of a single oxygen vacancy was large and unaffected by changes in stoichiometry, and Mn cations were preferred over Fe as sites for charge localization around the vacancy. The charge transport in the defective cell was delayed by vacancies due to an increased activation barrier.