Editorial Material
Biotechnology & Applied Microbiology
Anoop Manjunath, Hongyu Li, Shuchen Song, Zhixing Zhang, Shu Liu, Nathan Kahrobai, Arya Gowda, Angelina Seffens, James Zou, Ishan Kumar
Summary: A citation map connecting patents to biomedical publications provides insights that can be used to better evaluate productivity, diversity, and translational impact.
NATURE BIOTECHNOLOGY
(2021)
Article
Quantum Science & Technology
Craig Gidney, Martin Ekera
Summary: This study significantly reduces the cost of factoring integers and computing discrete logarithms in finite fields on a quantum computer by combining techniques from various sources. Plausible physical assumptions for large-scale superconducting qubit platforms are used to estimate the approximate cost of the construction. Factors normally ignored are taken into account, leading to more accurate results than previous studies.
Article
Nanoscience & Nanotechnology
Zhenzhen Kong, Zonghu Li, Gang Cao, Jiale Su, Yiwen Zhang, Jinbiao Liu, Jingxiong Liu, Yuhui Ren, Huihui Li, Laiming Wei, Guo-ping Guo, Yuanyuan Wu, Henry H. Radamson, Junfeng Li, Zhenhua Wu, Hai-ou Li, Jiecheng Yang, Chao Zhao, Tianchun Ye, Guilei Wang
Summary: We have developed a method to fabricate an undoped Ge quantum well (QW) under a 32 nm relaxed Si0.2Ge0.8 shallow barrier, which can suppress the threading dislocation density (TDD) penetrating into the undoped Ge quantum well. The Ge quantum well exhibits in-plane parallel strain introduced by the SiGe barrier. The heterostructure field-effect transistors with a shallow buried channel exhibit an ultrahigh two-dimensional hole gas (2DHG) mobility and a very low percolation density.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Geography, Physical
Hui Shen, Xinying Zhou, Jilong Yang, Junchi Liu, Yunzhuang Hu, Guoqiao Xiao, Yan Zheng, Jian Wang, Shixia Yang, Jianping Yue, Keliang Zhao, Xiaoqiang Li
Summary: Fire is a significant factor in shaping terrestrial ecosystems and its frequency fluctuated over the past two million years, showing an inverse relationship with the abundance of C4 plants. The dry climate during glacial periods increased fuel availability and fire activity. The variations in Earth orbital parameters also influenced fire occurrence.
QUATERNARY SCIENCE REVIEWS
(2022)
News Item
Medicine, General & Internal
Ingrid Torjesen
Summary: The British Medical Association (BMA) has revealed that a staggering 13.5 million hours of doctors' working time is lost to the National Health Service (NHS) each year due to failed, slow, or outdated IT systems. The BMA UK council chair, Chaand Nagpaul, shared this shocking statistic at the association's Annual Representative Meeting 2022 in response to a motion calling for significant investment in IT. Junior doctors committee member Gerard McHale expressed his shock and confusion at the outdated systems he encountered when he started working. The motion, which was passed, also recognized the success of remote working during the pandemic and called for better provision of quiet spaces with computers near work to support remote meetings and education.
BMJ-BRITISH MEDICAL JOURNAL
(2022)
Article
Engineering, Environmental
Emma L. Schymanski, Jian Zhang, Paul A. Thiessen, Parviel Chirsir, Todor Kondic, Evan E. Bolton
Summary: This article describes a dynamic and openly accessible tool, the PubChem PFAS Tree, for navigating and exploring over 7 million PFAS and over 21 million fluorinated compounds in PubChem. The tool provides various browsing options based on classification and properties, and allows the creation of subsets for different application needs.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Mathematics, Applied
Alexander Hulpke
Summary: We have enumerated 15768 perfect groups of order up to 2 . 10(6), up to isomorphism, thus completing the missing cases reported by Holt and Plesken. This work supplements the computer classifications of solvable groups, showcasing the scope and feasibility of the enumeration process for nonsolvable groups.
MATHEMATICS OF COMPUTATION
(2022)
Article
Multidisciplinary Sciences
Wu Youyou, Yang Yang, Brian Uzzi
Summary: By conducting a discipline-wide replication census in psychology, we found that the replication rates vary among subfields and are strongly correlated with research methods. Additionally, we discovered that authors' publication number and citation impact are related to replicability, while media attention is linked to replication failure.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Microbiology
Caixia Bi, Richard B. Clark, Ronald Master, Hema Kapoor, Martin H. Kroll, Ann E. Salm, William A. Meyer
Summary: This study retrospectively analyzed performance data from over 2 million samples for both the QFT-GIT and QFT-Plus tests. Results showed a higher proportion of positive results with QFT-GIT, and a lower proportion of indeterminate results with the 1-tube method of QFT-Plus.
MICROBIOLOGY SPECTRUM
(2021)
Article
Computer Science, Theory & Methods
Xiaoyu Hao, Tao Fang, Junshi Chen, Jun Gu, Jiawang Feng, Hong An, Chun Zhao
Summary: With the advancement of high-performance computing systems, the efficiency of scientific applications, particularly in the field of atmospheric modeling, is hindered by the suboptimal design of the input/output (I/O) module. To address this bottleneck, researchers propose a custom data reorganization method and various computation acceleration techniques. Experimental results show significant improvements in scalability and efficiency.
IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS
(2023)
Article
Multidisciplinary Sciences
Anisa Rowhani-Farid, Mikas Grewal, Steven Solar, Allen O. Eghrari, Audrey D. Zhang, Cary P. Gross, Harlan M. Krumholz, Joseph S. Ross
Summary: The impact and effectiveness of clinical trial data sharing initiatives may vary depending on the data sharing model. By comparing the centralized model used by NHLBI and the decentralized model used by NCI, we found that more NHLBI-funded trials shared data and had more shared data publications. This suggests that the centralized data sharing model is more effective in promoting data sharing.
Article
Public, Environmental & Occupational Health
Luca Allodi, Fabio Massacci, Julian Williams
Summary: This study introduces a new attacker model based on dynamic optimization and suggests that high initial development costs lead attackers to delay exploiting vulnerabilities. The research predicts that mass attackers prefer to exploit only one vulnerability per software version and are slow in weaponizing new vulnerabilities.
Article
Green & Sustainable Science & Technology
Pawel Kolakowski, Jeffrey Dankwa Ampah, Krzysztof Wrobel, Abdulfatah Abdu Yusuf, Mateusz Gil, Sandylove Afrane, Chao Jin, Haifeng Liu
Summary: Two independently performed studies on green shipping, applying similar methods and data sets, provide an opportunity for an unbiased analysis of research factors impacting outcomes.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Multidisciplinary Sciences
Keisuke Nansai, Susumu Tohno, Satoru Chatani, Keiichiro Kanemoto, Shigemi Kagawa, Yasushi Kondo, Wataru Takayanagi, Manfred Lenzen
Summary: Exposure to ambient PM2.5 leads to millions of premature deaths globally, with the majority occurring in developing countries. International coordinated efforts are needed to address this issue and reduce the mortality caused by PM2.5.
NATURE COMMUNICATIONS
(2021)
Article
Engineering, Environmental
Jia-Xin Li, Qiyun Luan, Beibei Li, Shyamali C. Dharmage, Joachim Heinrich, Michael S. Bloom, Luke D. Knibbs, Igor Popovic, Li Li, Xuemei Zhong, Aimin Xu, Chuanjiang He, Kang-Kang Liu, Xiao-Xuan Liu, Gongbo Chen, Mingdeng Xiang, Yunjiang Yu, Yuming Guo, Guang-Hui Dong, Xiaoguang Zou, Bo-Yi Yang
Summary: This study examined the associations between outdoor environmental exposures and the prevalence of tuberculosis. It found that particulate matter, nitrogen dioxide, carbon monoxide, and wind speed were positively associated with the odds of prevalent TB, while sulfur dioxide, altitude, artificial light at night, and proportion of forests, shrublands, and grasslands were negatively associated.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Chemistry, Physical
Xingfan Zhang, Lei Zhu, Qing Hou, Jingcheng Guan, You Lu, Thomas W. Keal, John Buckeridge, C. Richard A. Catlow, Alexey A. Sokol
Summary: In this paper, a new interatomic potential development scheme is proposed, which unifies the predictions of all relevant charged defects in CeO2 based on the Mott-Littleton approach and QM/MM electronic structure calculations. The accuracy of defect energetics at the pure MM level of theory reaches that of density functional theory (DFT) calculations, and a wide range of physical properties of CeO2 are accurately reproduced.
CHEMISTRY OF MATERIALS
(2023)
Article
Physics, Condensed Matter
Eleanor Lawrence Bright, Lei Xu, Lottie M. Harding, Ross Springell, Andrew C. Walters, Martin Sundermann, Mirian Garcia-Fernandez, Stefano Agrestini, Roberto Caciuffo, Gerrit van der Laan, Gerard H. Lander
Summary: Resonant inelastic x-ray scattering (RIXS) was used to study epitaxial films of alpha-U3O8 and UN, with an incident energy tuned to the uranium N-4,N-5 absorption edges. The multiplets associated with a 5f(1) configuration were observed for U3O8, but the predicted strong transition at a transfer energy of 1.67 eV was not observed. For the 5f-itinerant system UN, no sharp transitions were observed, indicating a predominantly 5f(3) configuration in this band-like semi-metallic system. These findings provide important information on these materials and the potential of RIXS at the uranium N edge for actinide research.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Physics, Condensed Matter
Lara Kabalan, Igor Kowalec, Santiago Rigamonti, Maria Troppenz, Claudia Draxl, C. Richard A. Catlow, Andrew J. Logsdail
Summary: Computational simulation using multiscale modelling approaches is used to explore the phase stability and phase diagram of PdZn binary alloys. The results identify the stability ranges of different phases and provide a platform for future investigations of close-packed alloy systems.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Editorial Material
Multidisciplinary Sciences
C. Richard A. Catlow, Nora H. De Leeuw, Angelos Michaelides, Scott M. Woodley
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2023)
Review
Physics, Multidisciplinary
R. Caciuffo, G. H. Lander, G. van der Laan
Summary: Research on actinide materials has been greatly advanced by the general techniques available from high-intensity photon beams from x-ray synchrotron sources, which can work with minute samples and reduce the radioactive hazards. The article discusses the form and encapsulation procedures used for different techniques and presents the basic theory for interpreting the results. It also reviews a selection of experiments to demonstrate the potential of synchrotron radiation techniques for studying actinide materials.
REVIEWS OF MODERN PHYSICS
(2023)
Article
Instruments & Instrumentation
Rachel J. Husband, Cornelius Strohm, Karen Appel, Orianna B. Ball, Richard Briggs, Johannes Buchen, Valerio Cerantola, Stella Chariton, Amy L. Coleman, Hyunchae Cynn, Dana Dattelbaum, Anand Dwivedi, Jon H. Eggert, Lars Ehm, William J. Evans, Konstantin Glazyrin, Alexander F. Goncharov, Heinz Graafsma, Alex Howard, Larissa Huston, Trevor M. Hutchinson, Huijeong Hwang, Sony Jacob, Johannes Kaa, Jaeyong Kim, Minseob Kim, Egor Koemets, Zuzana Konopkova, Falko Langenhorst, Torsten Laurus, Xinyang Li, Jona Mainberger, Hauke Marquardt, Emma E. McBride, Christopher McGuire, James D. McHardy, Malcolm I. McMahon, R. Stewart McWilliams, Alba S. J. Mendez, Anshuman Mondal, Guillaume Morard, Earl F. O'Bannon, Christoph Otzen, Charles M. Pepin, Vitali B. Prakapenka, Clemens Prescher, Thomas R. Preston, Ronald Redmer, Michael Roeper, Carmen Sanchez-Valle, Dean Smith, Raymond F. Smith, Daniel Sneed, Sergio Speziale, Tobias Spitzbart, Stephan Stern, Blake T. Sturtevant, Jolanta Sztuk-Dambietz, Peter Talkovski, Nenad Velisavljevic, Cara Vennari, Zhongyan Wu, Choong-Shik Yoo, Ulf Zastrau, Zsolt Jenei, Hanns-Peter Liermann
Summary: An experimental platform for dynamic diamond anvil cell (dDAC) research has been developed at the European XFEL. The platform utilizes the high repetition rate of the XFEL to collect pulse-resolved MHz X-ray diffraction data during dynamic compression experiments. Results from rapid compression experiments on various sample systems are presented, showing maximum compression rates and strain rates achieved.
JOURNAL OF SYNCHROTRON RADIATION
(2023)
Article
Chemistry, Physical
Amir A. Haghighirad, Matthew T. Klug, Liam Duffy, Junjie Liu, Arzhang Ardavan, Gerrit van der Laan, Thorsten Hesjedal, Henry J. Snaith
Summary: Substitution of Co2+ into methylammonium lead triiodide lattice imparts magnetic behavior while maintaining photovoltaic performance. Co2+ ions are used as probes to sense the local electronic environment of Pb, revealing their incorporation into the perovskite. This work provides a comprehensive understanding of transition metal incorporation, opening the gateway for developing novel perovskite materials and devices.
Article
Chemistry, Multidisciplinary
Xingfan Zhang, Taifeng Liu, Lei Zhu, Jingcheng Guan, You Lu, Thomas W. Keal, John Buckeridge, C. Richard A. Catlow, Alexey A. Sokol
Summary: Determining the absolute band edge positions is crucial for optimizing the performance of solid materials in various applications. This study combines theoretical approaches to understand the contributions of the bulk and surface to the ionization potential (IP) of metal oxides, such as CeO2. The results provide insights into the range of experimental results and contribute to the interpretation of oxide band structures in future studies.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Samia Al Sobhi, Ihfaf AlShibane, C. Richard A. Catlow, Angela Daisley, Justin S. J. Hargreaves, Andrew L. Hector, Michael D. Higham, Constantinos D. Zeinalipour-Yazdi
Summary: The effect of partial substitution of Mo with W in Co3Mo3N and Ni2Mo3N on ammonia synthesis activity and lattice nitrogen reactivity was investigated. It was found that the catalytic performance decreased with the introduction of tungsten. Furthermore, substitution with tungsten did not have a significant effect on lattice nitrogen reactivity, but resulted in a loss of lattice nitrogen in Co3Mo2.6W0.4N and Ni2Mo3N.
Article
Multidisciplinary Sciences
Santhosh K. Matam, Ian P. Silverwood, Lotfi Boudjema, Alexander J. O'Malley, C. Richard A. Catlow
Summary: The diffusion dynamics of methanol in ZSM-5 pores are dependent on the Si/Al ratio and temperature. Methanol shows rotational diffusion at lower Si/Al ratios and translational diffusion at higher ratios. Quasi-elastic neutron scattering (QENS) experiments and molecular dynamics (MD) simulations provide complementary information about the dynamics of methanol in ZSM-5 pores.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2023)
Article
Chemistry, Physical
Michael D. Higham, Constantinos D. Zeinalipour-Yazdi, Justin S. J. Hargreaves, C. Richard A. Catlow
Summary: This study compares the ammonia synthesis mechanisms in Fe3Mo3N and Co3Mo3N catalysts. The results show that surface lattice N vacancies in Fe3Mo3N can promote NH3 synthesis, and Fe3Mo3N exhibits higher N-2 activation ability. The calculations suggest that both Fe3Mo3N and Co3Mo3N can achieve ammonia synthesis through the associative Mars van Krevelen mechanism, especially for initial hydrogenation processes, by providing a less energy-demanding pathway.
FARADAY DISCUSSIONS
(2023)
Article
Chemistry, Physical
Angela Daisley, Michael Higham, C. Richard A. Catlow, Justin S. J. Hargreaves
Summary: The activity of anti-perovskite nitrides Co3CuN and Ni3CuN in ammonia synthesis was compared, and the results showed that their activity was due to loss of lattice nitrogen rather than a catalytic process. Co3CuN converted a higher percentage of lattice nitrogen to ammonia than Ni3CuN and was active at a lower temperature. The loss of lattice nitrogen led to the formation of Co3Cu and Ni3Cu during the reaction. In addition, DFT techniques were applied to understand the difference in reactivity between the nitrides, revealing key differences in the thermodynamics of the processes involved. The density of states (DOS) at the Fermi level was also studied and showed that the Ni and Co d states contributed to the DOS while the Cu d states only contributed for Co3CuN. Furthermore, the comparison with Co3Mo3N provided insight into the influence of structure type on the ammonia synthesis activity. The study found that metal composition has an influence on the stability and activity of the anti-perovskite nitrides.
FARADAY DISCUSSIONS
(2023)
Article
Materials Science, Multidisciplinary
C. Love, J. E. Beevers, B. Achinuq, R. Fan, T. Susaki, K. Matsuzaki, V. K. Lazarov, S. S. Dhesi, G. van der Laan, S. A. Cavill
Summary: The size of the orbital moment in bulklike epitaxial Fe3O4 films on yttria-stabilized zirconia (111) substrates has been determined using ferromagnetic resonance (FMR) spectroscopy and x-ray magnetic circular dichroism (XMCD). Annealing the films improves their stoichiometry and microstructure, allowing for the recovery of bulklike properties. Both FMR and XMCD techniques provide evidence for the presence of a finite orbital moment in Fe3O4, with a spectroscopic splitting factor g approximately 2.18.
Article
Physics, Multidisciplinary
James D. McHardy, Christian V. Storm, Matthew J. Duff, Simon G. Macleod, Malcolm I. McMahon
Summary: Dioptas is a software package widely used for integrating and analyzing 2-dimensional diffraction images. It allows users to input files that parameterize a material's thermal equation of state (EoS), enabling calculations of the positions of Bragg peaks based on pressure and temperature. This article describes the thermal EoS model used by Dioptas and provides input EoS files for commonly-used pressure calibrants and pressure transmitting media.
HIGH PRESSURE RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Xingfan Zhang, Taifeng Liu, Lei Zhu, Jingcheng Guan, You Lu, Thomas W. Keal, John Buckeridge, C. Richard A. Catlow, Alexey A. Sokol
Summary: Determining the absolute band edge positions in solid materials is crucial for optimizing their performance in various applications. This study combines theoretical approaches to investigate the contributions of bulk and surface properties to the ionization potential (IP) in metal oxides, providing a firm basis for interpreting experimental and computational studies of oxide band structures.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
