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Finding stable multi-component materials by combining cluster expansion and crystal structure predictions

npj Computational Materials 2023年第1期9卷 2137-2146页

作者： Adam Carlsson Johanna Rosen martin dahlqvist Materials design Department of PhysicsChemistryand Biology(IFM)Linköping UniversitySE-58183 LinköpingSweden

A desired prerequisite when performing a quantum mechanical calculation is to have an initial idea of the atomic positions within an approximate crystal *** atomic positions combined should result in a system located in,or close to,an energy ***,designing low-energy structures may be a challenging task when prior knowledge is scarce,specifically for large multi-component systems where the degrees of freedom are close to *** this paper,we propose a method for identification of low-energy crystal structures within multi-component systems by combining cluster expansion and crystal structure predictions with density-functional theory *** structure prediction searches are applied to the Mo_(2)AlB_(2) and Sc2AlB_(2) ternary systems to identify candidate structures,which are subsequently used to explore the quaternary(pseudo-binary)(Mo_(x)Sc_(1–x))2AlB_(2) system through the cluster expansion formalism utilizing the ground-state search ***,we show that utilizing low-energy structures found within the cluster expansion ground-state search as seed structures within crystal structure predictions of(Mo_(x)Sc_(1–x))2AlB_(2) can significantly reduce the computational *** this combined approach,we not only correctly identified the recently discovered Mo_(4/3)Sc_(2/3)AlB_(2) i-MAB phase,comprised of in-plane chemical ordering of Mo and Sc and with Al in a Kagomélattice,but also predict additional low-energy structures at various *** result demonstrates that combining crystal structure prediction with cluster expansion provides a path for identifying low-energy crystal structures in multi-component systems by employing the strengths from both frameworks.

关键词： structure cluster crystal

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The RNA binding proteins TIA1 and TIAL1 promote Mcl1 mRNA translation to protect germinal center responses from apoptosis

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Cellular & Molecular Immunology 2023年第9期20卷 1063-1076页

作者： Ines COsma-Garcia Mailys Mouysset dunja Capitan-Sobrino Yann Aubert martin Turner Manuel d.diaz-Muñoz Institute for Infectious and Inflammatory diseases(INFINITy) Inserm UMR1291CNRS UMR5051University Paul SabatierCHU PurpanToulouse 31024France Immunology Program The Babraham InstituteCambridgeUK

Germinal centers(GCs)are essential for the establishment of long-lasting antibody *** B cells rely on post-transcriptional RNA mechanisms to translate activation-associated transcriptional programs into functional changes in the cell ***,the critical proteins driving these key mechanisms are still ***,we show that the RNA binding proteins TIA1 and TIAL1 are required for the generation of long-lasting GC ***1-and TIAL1-deficient GC B cells fail to undergo antigen-mediated positive selection,expansion and differentiation into B-cell clones producing high-affinity ***,TIA1 and TIAL1 control the transcriptional identity of dark-and light-zone GC B cells and enable timely expression of the prosurvival molecule ***,we demonstrate here that TIA1 and TIAL1 are key players in the post-transcriptional program that selects high-affinity antigen-specific GC B cells.

关键词： Adaptive immunity Germinal centers Post-transcriptional gene regulation RNA binding proteins Cell identity Apoptosis/10.1038/s41423-023-01063-4

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Enabling Virtual Met Masts for wind energy applications through machinelearning-methods

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能源与人工智能(英文) 2023年第1期11卷 26-42页

作者： Sandra Schwegmann Janosch Faulhaber Sebastian Pfaffel Zhongjie Yu martin dörenkämper Kristian Kersting Julia Gottschall Fraunhofer IWES Küpkersweg 7026129 OldenburgGermany Fraunhofer IEE Königstor 5934119 KasselGermany Technical University of darmstadt Karolinenplatz 564289 DarmstadtGermany Hessian Center for AI(hessian.AI) Mornewegstraße 3064293 DarmstadtGermany

As wind is the basis of all wind energy projects, a precise knowledge about its availability is needed. For ananalysis of the site-specific wind conditions, Virtual Meteorological Masts (VMMs) are frequently used. VMMsmake use of site calibrated numerical data to provide precise wind estimates during all phases of a wind energyproject. Typically, numerical data are used for the long-term correlation that is required for estimating theyield of new wind farm projects. However, VMMs can also be used to fill data gaps or during the operationalphase as an additional reference data set to detect degrading sensors. The value of a VMM directly dependson its ability and precision to reproduce site-specific environmental conditions. Commonly, linear regressionis used as state of the art to correct reference data to the site-specific conditions. In this study, a frameworkof 10 different machine-learning methods is tested to investigated the benefit of more advanced methods ontwo offshore and one onshore site. We find significantly improving correlations between the VMMs and the reference data when using more advanced methods and present the most promising ones. The K-NearestNeighbors and AdaBoost regressors show the best results in our study, but Multi-Output Mixture of GaussianProcesses is also very promising. The use of more advanced regression models lead to decreased uncertainties;hence those methods should find its way into industrial applications. The recommended regression models canserve as a starting point for the development of end-user applications and services.

关键词： Virtual Met Mast(VMM) Wind power Machine learning Reanalysis data Site assessment Weather Research and Forecasting Model(WRF) Measure-Correlate-Predict(MCP)

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Morbidity and Mortality of Acute Renal Failure in COVId-19 Patients in Intensive Care According to Waves/Variant: Case of the Grand Hôpital de l’Est Francilien Site de Meaux

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Open Journal of Internal Medicine 2024年第1期14卷 16-29页

作者： Khazy Anga Ariel Makembi Éric Amisi Éric delpierre Vivien Hong Tuan Ha Wilfrid Mbombo Jean Claude Mubenga dan Kankonde Chris Nsituavibidila Lionel diyamona Noelly Mukuna Gracia Likinda Tharcisse Mabiala martin Mukenga Médard Bula-Bula Berthe Barhayiga département d’Anesthésie Réanimation Université de Kinshasa Kinshasa République démocratique du Congo Service de Réanimation Grand H&ocircpital de l’Est Francilien Meaux France département de Médecine Interne Université de Kinshasa Kinshasa République démocratique du Congo Service d’Anesthésie Réanimation Centre Hospitalier Monkole Kinshasa République démocratique du Congo department of Anaesthesia and Intensive Care H&ocircpital Général de Référence de Kinshasa Kinshasa République démocratique du Congo department of Anaesthesia and Intensive Care Université Protestante du Congo Kinshasa République démocratique du Congo

Introduction: The incidence of acute renal failure (ARF) varies between 20% and 40% of cases for COVId-19 patients admitted to the intensive care unit, with very high mortality, but heterogeneous according to the different epidemic waves, probably due to the genetic variant phenomenon of the virus. The aim of this study is to determine the morbidity and mortality of COVId-19 patients admitted with ARF to the intensive care unit of the Grand H?pital Est Francilien (GHEF) according to the waves and variants. Methods: Cross-sectional observational study of COVId-19 patients with ARF admitted to the intensive care unit of the GHEF site in Meaux covering the period from March 1st 2020 to december, 31st 2021. Per-hospitalisation and outcome data were collected and analysed with SPSS version 25.0 software using the Chi-square or Fischer’s exact test or Student’s t-test and logistic regression for p Results: A total of 86 patients were included. The mean age was higher (70 ± 8.5) in patients in the fourth wave than in the other waves (p = 0.015), with male predominance in all waves without significant difference. Co-morbidities: hypertension, diabetes, heart disease, dyslipidaemia and arrhythmia complete with fibrillation were present in all waves. The majority of patients were classified as KdIGO 1 for the different waves (1st: 61.9%, 2nd: 86.5%, 3rd: 80%, and 4th: 75%), with the same trend according to variant (alpha: 80%, beta: 75%, delta: 81.3%, omicron: 75%). Mortality by the wave was: 1st: 28.5%, 2nd: 37.5%, 3rd: 23% and 4th: 11%) and by variant: alpha: 24.2%, beta: 44.8%, delta: 20.7%, omicron: 10.3%). Overall mortality was 33.7%. Case fatality was higher in the fourth wave. Hypertension, shock, failure to recover renal function, acute lung oedema, ventilator-associated lung disease and hyperkalaemia were factors associated with mortality (p Conclusion: Acute renal failure is common in COVId-19 patients admitted to the intensive care unit, and m

关键词： Mortality COVId-19 Morbidity Renal Failure Intensive Care Unit

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Cherish your weeds

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Molecular Plant 2022年第3期15卷 396-397页

作者： Steven dreissig martin Mascher Institute of Agricultural and Nutritional Sciences Martin-Luther-University Halle-WittenbergHalle(Saale)Germany Leibniz Institute of Plant Genetics and Crop Plant Research(IPK) SeelandOT GaterslebenGermany German Centre for Integrative Biodiversity Research(idiv)Halle-Jena-Leipzig LeipzigGermany

The domestication of crops was a protracted process that extended over thousands of *** began approximately 12000 years ago and marked the onset of the Neolithic *** the Neolithic,human cultures transitioned from a hunter-gatherer lifestyle toward one of agriculture and *** process,however,was a long one,which spanned many human *** this period,many of today's most important crops were domesticated from wild *** include wheat,barley,rice,and maize.

关键词： crops weed settlement

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10 Gbps wavelength division multiplexing using UV-A, UV-B, and UV-C micro-LEds

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Photonics Research 2022年第2期10卷 516-523页

作者： daniel M.Maclure Jonathan J.d.McKendry Mohamed Sufyan Islim Enyuan Xie Cheng Chen Xiaobin Sun Xudong Liang Xiaohui Huang Hanaa Abumarshoud Johannes Herrnsdorf Erdan Gu Harald Haas martin d.dawson Institute of Photonics Department of PhysicsSUPAUniversity of StrathclydeGlasgow G11RDUK LiFi Research and development Centre Department of Electronic&Electrical EngineeringUniversity of StrathclydeTechnology&Innovation CentreGlasgow G11RDUK Fraunhofer Center of Applied Photonics Technology&Innovation CentreGlasgow G11RDUK Zhixin Semiconductor(Hangzhou)Co. Ltd.Hangzhou 311200China

deep ultraviolet(dUV) optical wireless communications have seen increased interest in recent years due to the unique properties of light in this spectral region. However, the reported dUV data rates remain significantly lower than comparable demonstrations at visible wavelengths due to lower modulation bandwidths and/or output power of the sources. Here, we present a wavelength division multiplexing demonstration using three UV microlight-emitting diodes emitting at nominal peak wavelengths of 285, 317, and 375 nm, respectively, each with an emitting area of approximately 1369 μm^(2)(equivalent to circular device pixels of diameter;0 μm). Using orthogonal frequency division multiplexing, data rates of 4.17, 3.02, and 3.13 Gbps were achieved from the 285, 317, and 375 nm devices, respectively, for a combined data rate of 10.32 Gbps transmitted over a distance of 0.5 m.

关键词： Gbps multiplexing diodes

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Evidence that all Sorsby's fundus dystrophy mutations cause TIMP3 dimerization resulting in impaired inhibition of VEGFR2

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Genes & diseases 2023年第1期10卷 45-47页

作者： Fatimah A.Alsaffar Ahmed H.Mujamammi Mohammed S.K.Aldughaim martin J.H.Nicklin Michael d.Barker department of Oncology&Metabolism University of Sheffield Medical SchoolSheffield S102RXUK department of Infection Immunity&Cardiovascular disease University of Sheffield Medical SchoolSheffield S102RXUK

Tissue inhibitor of metalloproteinases 3(TIMP3)regulates turnover of the extracellular matrix(ECM)and is also a potent inhibitor of the vascular endothelial growth factor receptor 2(VEGFR2),a key mediator of *** in TIMP3 give rise to Sorsby's fundus dystrophy(SFd),a dominantly inherited degenerative disease of the retina that leads to blindness,usually in middle age.

关键词： TIMP3 VEGFR2 impaired

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development and prospects of garnet ceramic scintillators:A review

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Journal of Advanced Ceramics 2022年第12期11卷 1825-1848页

作者： danyang ZHU martin NIKL Weerapong CHEWPRAdITKUL Jiang LI Key Laboratory of Transparent Opto-functional Inorganic Materials Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 201899China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China Institute of Physics The Czech Academy of SciencesPrague 16200Czech Republic department of Physics King Mongkut’s University of Technology ThonburiBangkok 10140Thailand

Garnet ceramic scintillators are a class of inorganic scintillation materials with excellent overall *** flexibility of cation substitution in different lattice positions leads to tunable and versatile properties and a wide range of *** paper starts with an overview of the development history of the inorganic scintillation materials,followed by a description of major preparation methods and characterization of garnet scintillation *** progress obtained in recent years consisting in applying the band-gap and defect engineering strategies to the garnet scintillation ceramics is ***,the respective problems in the preparation and performance of multicomponent garnet single crystals and ceramics and the effective solutions are *** garnet scintillation ceramics with the highest application potential are summarized,and the future development directions are proposed.

关键词： garnet ceramics inorganic scintillators single crystals scintillation performance

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do animal eyespots really mimic eyes？

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Current Zoology 2014年第1期60卷 26-36页

作者： martin STEVENS Graeme d RUXTON Centre for Ecology & Conservation University of Exeter Penryn Campus Penryn TR10 9FE UK School of Biology University of St Andrews Dyers Brae House St Andrews Fife KY16 9TH UK

The diversity of anti-predator adaptations in the natural world has long been an active area of research in evolutionary and behavioural biology. A common visually-obvious feature found on prey are ‘eyespots’, being approximately circular markings often with concentric rings and conspicuous colours. These are found on a range of animals, especially adult and larval Lepidoptera and fish. One of the most widespread functions of eyespots seems to be to intimidate or startle predators: delaying, preventing or halting an attack. However, while the fact that they can influence predators in this way is uncontroversial, the mechanism(s) behind why they are effective is debated. Traditionally, they have been assumed to work by mimicking the eyes of the predator’s own enemies, and much research in this field is conducted under the implicit or explicit assumption that this theory is correct. However, eyespots might work simply by being highly salient stimuli that promote sensory overload, biases, or neo-phobic reactions in predators. A range of recent studies has aimed to test these alternatives. Here, we critically evaluate this work and what it tells us about the mechanisms underlying eyespot function. We conclude that although eye mimicry is plausible, there remains a lack of evidence to support it and most observations are at least equally consistent with alternative mechanisms. Finally, we also discuss how the debate can be resolved.

关键词：食肉动物眼睛模仿行为生物学鳞翅目昆虫多样性自然界反捕食

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Spatial symmetries in nonlocal multipolar metasurfaces

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Advanced Photonics 2023年第4期5卷 9-22页

作者： Karim Achouri Ville Tiukuvaara Olivier J.F.martin Institute of Electrical and Microengineering École Polytechnique Fédérale de LausanneNanophotonics and Metrology LaboratoryLausanneSwitzerland

We propose a framework that connects the spatial symmetries of a metasurface to its material parameter tensors and its scattering *** provides a simple and universal way to effortlessly determine the properties of a metasurface scattering response,such as chirality or asymmetric transmission,and which of its effective material parameters should be taken into account in the prospect of a homogenization *** contrast to existing techniques,this approach does not require any a priori knowledge of group theory or complicated numerical simulation schemes,hence making it fast,easy to use and *** working principle consists in recursively solving symmetry-invariance conditions that apply to dipolar and quadrupolar material parameters,which include nonlocal interactions,as well as the metasurface scattering *** overall process thus only requires listing the spatial symmetries of the *** the proposed framework,we demonstrate the existence of multipolar extrinsic chirality,which is a form of chiral response that is achieved in geometrically achiral structures sensitive to field gradients,even at normal incidence.

关键词： spatial symmetries metamaterials bianisotropy multipoles chirality

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