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Numerical quality control for DFt-based materials databases

npj Computational Materials 2022年第1期8卷 661-668页

作者： Christian Carbogno Kristian Sommer thygesen Björn Bieniek Claudia Draxl Luca M.Ghiringhelli Andris Gulans oliver t.hofmann Karsten W.Jacobsen Sven Lubeck Jens Jørgen Mortensen Mikkel Strange Elisabeth Wruss Matthias Scheffler Fritz-Haber-Institut der Max-Planck-Gesellschaft Faradayweg 4-614195BerlinGermany Center for Atomic-scale Materials Design(CAMD) Department of PhysicsTechnical University of DenmarkFysikvej 12800Kongens LyngbyDenmark Physics Department and IRIS Adlershof Humboldt-Universität zu BerlinZum Großen Windkanal 612489BerlinGermany Institute of Solid State Physics Graz University of TechnologyNAWI GrazPetergasse 168010GrazAustria

Electronic-structure theory is a strong pillar of materials *** different computer codes that employ different approaches are used by the community to solve various scientific ***,the precision of different packages has only been scrutinized thoroughly not long ago,focusing on a specific task,namely selecting a popular density functional,and using unusually high,extremely precise numerical settings for investigating 71 monoatomic crystals^(1).Little is known,however,about method- and code-specific uncertainties that arise under numerical settings that are commonly used in *** shed light on this issue by investigating the deviations in total and relative energies as a function of computational *** typical settings for basis sets and k-grids,we compare results for 71 elemental^(1) and 63 binary solids obtained by three different electronic-structure codes that employ fundamentally different *** the basis of the observed trends,we propose a simple,analytical model for the estimation of the errors associated with the basis-set *** cross-validate this model using ternary systems obtained from the Novel Materials Discovery (NOMAD) Repository and discuss how our approach enables the comparison of the heterogeneous data present in computational materials databases.

关键词： structure precise selecting

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Eliciting CD4-mimicking broadly neutralizing antibodies:new avenues towards the rational design of an HIV vaccine

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Signal transduction and targeted therapy 2024年第3期9卷 836-838页

作者： Frauke Muecksch oliver t.Fackler Department of Infectious Diseases Heidelberg UniversityMedical Faculty HeidelbergVirologyCenter for Integrative Infectious Disease Research(CIID)HeidelbergGermany Chica and Heinz Schaller(CHS)Research Group Department of Infectious DiseasesVirologyUniversity Hospital HeidelbergHeidelbergGermany Department of Infectious Diseases Heidelberg UniversityMedical Faculty HeidelbergIntegrative VirologyCenter for Integrative Infectious Disease Research(CIID)HeidelbergGermany German Centre for Infection Research(DZIF) Partner Site HeidelbergHeidelbergGermany

In a study recently published in Cell,Saunders et *** that a new anti-HIV vaccine triggers antibody responses resembling CD4-binding site broadly neutralizing antibody precursors in rhesus macaques.1 this study provid... 详细信息

关键词： al. vaccine rational

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Lightweight and Secure Mutual Authentication Scheme for Iot Devices Using CoAP Protocol

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Computer Systems Science & Engineering 2022年第5期41卷 767-780页

作者： S.Gladson oliver t.Purusothaman Department of Information technology Government College of TechnologyCoimbatore641013India Department of Electronics and Communication Engineering Government College of TechnologyCoimbatore641013India

Internet of things enables every real world objects to be seamlessly integrated with traditional *** objects of real world are enhanced with capability to communicate,computing capabilities and standards to interoperate with existing network and these entities are resource constrained and vulnerable to various security *** number of research works are being carried out to analyze various possible attacks and to propose standards for securing communication between devices in internet of things(Iot).In this article,a robust and lightweight authentication scheme for mutual authentication between client and server using constrained application protocol is *** of things enables devices with different characteristics and capabilities to be integrated with *** heterogeneous devices should interoperate with each other to accumulate,process and transmit data for facilitating smart *** growth of Iot applications leads to the rapid growth of Iot devices incorporated to the global network and network traffic over the traditional *** scheme greatly reduces the authentication overhead between the devices by reducing the packet size of messages,number of messages transmitted and processing overhead on communicating *** of this authentication scheme against attacks such as DoS(denial of service),replay attacks and attacks to exhaust the resources are also *** transmission time reduced upto 50%of using proposed techniques.

关键词： Iot CoAP AES encryption message transmisssion

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Lysozyme as an alternative to growth promoting antibiotics in swine production

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Journal of Animal Science and Biotechnology 2016年第1期7卷 34-40页

作者： W. t. oliver J.E.Wells USDA ARS U.S. Meat Animal Research Center P. O. Box 166 Clay Center NE68933-0166 USA

Lysozyme is a naturally occurring enzyme found in bodily secretions such as tears, saliva, and milk. It functions as an antimicrobial agent by cleaving the peptidoglycan component of bacterial cell walls, which leads to cell death. Antibiotics are also antimicrobials and have been fed at subtherapeutic levels to swine as growth promoters. these compounds benefit swine producers by minimizing production losses by increasing feed efficiency and decreasing susceptibility to bacterial infection and disease. this manuscript reviews the knowledge of the effects of lysozyme, as compared to traditional subtherapeutic antibiotics in swine feed, on pig performance and health. It is clear from decades of studies that antibiotic use in feeds increases pig performance, particularly in the nursery. Similarly, lysozyme, as a feed additive, increases growth and feed efficiency. While the mechanism by which antibiotics and lysozyme improve performance is not clearly understood, both of these feed additives improve gastrointestinal health, improve the metabolic profile, and alter the gastrointestinal bacteria ecology of swine. therefore, lysozyme is a suitable alternative to growth-promoting subtherapeutic antibiotic use in swine feed.

关键词： Antibiotics Gastrointestinal Lysozyme Microbiota Review Swine

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Single-mode and tunable VCSELs in the near-to mid-infrared Invited Paper

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Chinese Optics Letters 2008年第10期6卷 743-747页

作者： Markus-Christian Amann Werner hofmann Walter Schottky Institut Technische Universitt MnchenD-85748 GarchingGermany

Single-mode, long-wavelength vertical-cavity surface-emitting lasers （VCSELs） in the near- to mid-infrared covering the wavelength range from 1.3 to 2.3 μm are presented. this wide spectral emission range opens applications in gas sensing and optical interconnects. All these lasers are monolithically grown in the InGaAlAs-InP material system utilizing a buried tunnel junction （BtJ） as current aperture. Fabricated with a novel high-speed design with reduced parasitics, bandwidths in excess of 10 GHz at 1.3 and 1.55 μm have been achieved. therefore, the coarse wavelength division multiplexing （CWDM） wavelength range of 1.3 to 1.6 μm at 10 Gb/s can be accomplished with one technology. Error-free data-transmission at 10 Gb/s over a fiber link of 20 km is demonstrated. One-dimensional arrays have been fabricated with emission wavelengths addressable by current tuning. Micro-electro-mechanical system （MEMS） tunable devices provide an extended tuning range in excess of 50 nm with high spectral purity. All these devices feature continuous-wave （CW） operation with typical single-mode output powers exceeding 1 mW. the operation voltage is around 1 - 1.5 V and power consumption is as low as 10 - 20 mW. Furthermore, we have also developed VCSELs based on GaSb, targeting functionality of tunable diode laser spectroscopy （tDLS） applying a 1.84-μm VCSEL. at the wavelength range from 2.3 to 3.0 μm. the systems is shown by presenting a laser hygrometer

关键词： mode VCSEL Single-mode and tunable VCSELs in the near-to mid-infrared Invited Paper

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Investigation of environmental and land use impacts in forested permafrost headwaters of the Selenga-Baikal river system,Mongolia-Effects on discharge,water quality and macroinvertebrate diversity

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International Soil and Water Conservation Research 2021年第4期9卷 605-619页

作者： Martin Pfeiffer Georg Küstner Erdenetsetseg Erdenesukh Wolf von tümpling Jürgen hofmann Department of Biogeography University of BayreuthUniversitätsstraße 3095447 BayreuthGermany Department of Aquatic Ecosystem Analysis and Management(ASAM) Helmholtz Centre for Environmental Research-UFZBrückstraße 3a39114 MagdeburgGermany Department of Ecology National University of MongoliaBaga toiruu 47Ulaanbaatar 210646Mongolia Department of Animal Ecology and tropical Biology BiocenterJulius-Maximilians-Universität WürzburgAm Hubland97074 WürzburgGermany National Dong Hwa University No.1Sec.2Da Hsueh Rd.ShoufengHualien 97401Taiwan Central Laboratory for Water Analytics&Chemometrics Helmholtz Centre for Environmental Research-UFZBrückstrasse 3a39114 MagdeburgGermany Büro für Integrierten Gewässerschutz-BiG Werner-Voß-Damm 54 b12101 BerlinGermany

Headwater streams play a major role for provision of ecosystem services,*** *** investigated a high-altitude headwater catchment of the Kharaa River(including 411st-order rivers)to understand the impact of land cover(especially forest cover),environment and human usage on runoff,chemical water quality and macroinvertebrate fauna in a river basin under discontinuous permafrost conditions in an arid,sparsely populated region of *** verify our hypotheses that different landuses and environmental impacts in permafrost headwaters influence water quality,we investigated 105 sampling sites,37 of them at intermittent stream sections without water *** was positively impacted by land cover types steppe,grassland and forest and negatively by shrubland,forest burnt by wild fires(indicating a reduction of permafrost)and *** quality was affected by altitude,longitude and latitude,shrub growth and water *** diversity of macroinvertebrates was driven by water temperature,iron content of the water,flow velocity,and subbasin size(adjusted R^(2)=0.54).Sample plots clustered in three groups that differed in water chemistry,macroinvertebrate diversity,species composition and *** study confirms that steppes and grasslands have a higher contribution to runoff than forests,forest cover has a positive impact on water quality,and diversity of macroinvertebrates is higher in sites with less nutrients and *** excellent ecological status of the upper reaches of the Kharaa is severely threatened by forest fires and human-induced climate change and urgently needs to be conserved.

关键词： Ecosystem services Ephemeroptera-Plecoptera-trichoptera (EPt)complex GIS-based analysis IWRM-MoMo project Land use land cover(LULC) Natural reference state Runoff Self-purification capacity Stream water chemistry

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A review of Palaeoarchaean felsic volcanism in the eastern Kaapvaal craton:Linking plutonic and volcanic records

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Geoscience Frontiers 2018年第3期9卷 667-688页

作者： Andrea Agangi Axel hofmann Marlina A.Elburg Department of Applied Geology Curtin UniversityBentleyWAAustralia Department of Geology University of Johannesburg JohannesburgSouth Africa

In the Kaapvaal craton of southern Africa, as well as other Archaean cratons worldwide, the progression from dominant tonalite-trondhjemite-granodiorite(ttG) to granite-monzogranite-syenogranite(GMS)rock types is interpreted to reflect progressive reworking and differentiation of the continental *** we re-evaluate the early Archaean evolution of the Kaapvaal craton and propose a unified view of the plutonic and volcanic records based on elemental and isotopic(Nd, Hf) data and zircon U-Pb *** also report new whole-rock major and trace element analyses, zircon U-Pb ages and Hf-in-zircon analyses of igneous clasts from a conglomerate of the 3.2 Ga Moodies Group of the Barberton Greenstone Belt. Many of these clasts are derived from shallow intrusive rocks of granitic composition, which are scarcely represented in outcrop. Despite alteration, the volcanic rocks can be classified based on their trace element contents into two main groups by comparison with plutonic rocks. One group has characteristics resembling ttGs: relatively low and fractionated rare earth element concentrations with no Eu anomaly and relatively low concentrations of high field strength elements(Nb mostly ≤12 ppm). the second group has GMS-like characteristics: less fractionated REE, marked negative Eu anomalies and HFSE-increasing trends with progressing fractionation(Nb ≤ 50 ppm or more, th up to 30-40 ppm). In addition, igneous clasts of Moodies Group conglomerate have chemical, mineralogical and isotopic characteristics that link them to GMS. New analyses of some of these clasts indicate elevated high field strength elements(Nb up to 20 ppm) and_(εHf)(t)of zircon down to -3.5. these rocks imply the presence of an already differentiated felsic crust at >3.5 Ga, which has Nd and Hf model ages indicating mantle extraction ages extending back to the Eoarchaean. the combined record of plutonic and volcanic rocks of the Kaapvaal craton provides a more complex scenario than previously suggest

关键词： Archean Kaapvaal craton ttG Greenstone Barberton

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treatment sequencing in metastatic castrate-resistant prostate cancer

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Asian Journal of Andrology 2014年第3期16卷 426-431页

作者： oliver Sartor Silke Gillessen Department of Medicine and Urology Tulane University School of Medicine New Orleans Louisiana USA Department of Medical Oncology Kantonsspital St. Gallen St. Gallen Switzerland.

Six different treatments have demonstrated improved survival in phase III trials targeted to patients with metastatic castration-resistant prostate cancer （mCRPC）. Front-line therapeutic options for mCRPC include docetaxel, sipuleuceI-t, abiraterone and radium-223. Post-docetaxel options include cabazitaxel, abiraterone, enzalutamide and radium-223. Despite much progress in recent years, much is yet unknown and debates occur over optimal treatment choices and sequences. None of the new agents have been compared to one another, thus physicians in practice today must make choices based on non-randomized comparisons, toxicity considerations and various assumptions. Abiraterone is now moving into the front line mCRPC space given recent regulatory approvals and enzalutamide will follow soon. Both of the hormonal agents have less toxicity when compared to chemotherapeutic options and both of these hormonal agents are expected to be used in a considerable number of mCRPC patients in the years ahead. Little data are available for the post-abiraterone or post-enzalutamide setting. In this review the currently available sequencing data are summarized and interpreted. It is now clear that cross resistance is a potential issue between various treatments, especially those agents that target the androgen axis. this review highlights the need for additional studies to optimize the current treatments for these patients.

关键词： abiraterone cabazitaxel castrate-resistant docetaxel enzalutamide~ radium-223 sipuleuceI-t

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Hop-induced formation of ethyl esters in dry-hopped beer

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Food Production, Processing and Nutrition 2020年第1期2卷 179-185页

作者： Sabrina Brendel thomas hofmann Michael Granvogl Lehrstuhl für Lebensmittelchemie und Molekulare Sensorik Technische Universität MünchenWissenschaftszentrum Weihenstephan für ErnährungLandnutzung und UmweltLise-Meitner-Straße 3485354 FreisingGermany Institut für Lebensmittelchemie Fg.Lebensmittelchemie und Analytische Chemie(170a)Universität HohenheimFakultät für NaturwissenschaftenGarbenstraße 2870599 StuttgartGermany

Fruity smelling esters play an important role for the aroma of hops and beer and they have been characterized as key aroma compounds in different hop *** on the transfer of hop-derived compounds into beer during dry-hopping showed calculated transfer rates of different ethyl esters far above 100%,leading to the assumption that these esters must be newly *** investigate this formation,dry-hopping was imitated in water to eliminate the influence of the beer matrix on the formation of these ***,the formation of ethyl esters of 2-methylbutanoic acid,3-methylbutanoic acid,and methylpropanoic acid,induced by the addition of hops,was *** approaches inhibiting enzyme activities and experiments with different hop extracts might lead to the assumption that enzymes are involved in the formation of these esters,beside possible transesterification.

关键词： Hops Dry-hopping Beer Ethyl esters Aroma formation Radicals Enzymes

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Gallbladder carcinoma: prognostic factors and therapeutic options

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World Journal of Gastroenterology 2015年第43期21卷 12211-12217页

作者： thorsten oliver Goetze Institut of Clinical Cancer Research UCT-University Cancer Center Frankfurt

the outcome of gallbladder carcinoma is poor,and the overall 5-year survival rate is less than 5%. In early-stage disease,a 5-year survival rate up to 75% can be achieved if stage-adjusted therapy is performed. there is wide geographic variability in the frequency of gallbladder carcinoma,which can only be explained by an interaction between genetic factors and their alteration. Gallstones and chronic cholecystitis are important risk factors in the formation of gallbladder malignancies. Factors such as chronic bacterial infection,primary sclerosing cholangitis,an anomalous junction of the pancreaticobiliary duct,and several types of gallbladder polyps are associated with a higher risk of gallbladder cancer. there is also an interesting correlation between risk factors and the histological type of cancer. However,despite theoretical risk factors,only a third of gallbladder carcinomas are recognized preoperatively. In most patients,the tumor is diagnosed by the pathologist after a routine cholecystectomy for a benign disease and is termed ‘‘incidental or occult gallbladder carcinoma''(IGBC). A cholecystectomy is performed frequently due to the minimal invasiveness of the laparoscopic technique. therefore,the postoperative diagnosis of potentially curable early-stage disease is more frequent. A second radical re-resection to complete a radical cholecystectomy is required for several IGBCs. However,the literature and guidelines used in different countries differ regarding the radicality or t-stage criteria for performing a radical cholecystectomy. the NCCN guidelines and data from the German registry(GR),which records the largest number of incidental gallbladder carcinomas in Europe,indicate that carcinomas infiltrating the muscularis propria or beyond require radical surgery. According to GR data and current literature,a wedge resection with a combined dissection of the lymph nodes of the hepatoduodenal ligament is adequate for t1 b and t2 carcinomas. the reason for a

关键词： Gallbladder carcinoma Stage-adjusted therapy Radic

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