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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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Prepulse inhibition (PPI) of tactile startle response in recombinant congenic strains of mice:QTL mapping and comparison with acoustic PPI

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Journal of Genetics and Genomics 2008年第3期35卷 139-151页

作者： adam Torkamanzehi Patricia Boksa Ridha Joober University of Sistan and Baluchestan Douglas Hospital Research Centre

Prepulse inhibition （PPI） of the startle response is a psychophysiological measure of sensorimotor gating believed to be cross-modal between different sensory systems. We analyzed the tactile startle response （TSR） and PPI of TSR （tPPI）, using light as a prepulse stimulus, in the mouse strains A/J and C57BL/6J and 36 recombinant congenic strains derived from them. Parental strains were significantly different for TSR, but were comparable for tPPI. Among the congenic strains, variation for TSR was significant in both genetic backgrounds, but that of tPPI was significant only for the C57BL/6J background. Provisional mapping for loci modulating TSR and tPPI was carried out. Using mapping data from our previous study on acoustic startle responses （ASR） and PPI of ASR （aPPI）, no common markers for aPPI and tPPI were identified. However, some markers were significantly associated with both ASR and TSR, at least in one genetic background. These results indicate cross-modal genetic regulation for the startle response but not for PPI, in these mouse strains.

关键词： tactile startle response prepulse inhibition (PPI) acoustic startle response recombinant congenic strains of mice QTL mapping microsatellite markers

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Landmark learning by the Ozark zigzag salamander Plethodon angusticlavius

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Current Zoology 2011年第4期57卷 485-490页

作者： adam L. CRANE Alicia MATHIS Department of Biology Missouri State University Springfield MO 65897 USA

Although salamanders have been shown to respond to classical conditioning, spatial learning has been largely unstudied. We tested whether salamanders could learn to locate foraging areas by using landmarks. We trained 10 salamanders Plethodon angusticlavius to use landmarks （small rocks） to locate patches within the arena containing food （blackworms Lumbriculus variegatus）. At the comers of each square testing arena were four plastic dishes, one containing blackworms and the other three empty. A rock was placed in front of the dish containing blackworms, and the location of the food-dish was randomly chosen for each training trial. A control group was also trained to feed on blackworms in the presence of a rock, but the rock was positioned randomly among the four dish locations so that the rock was not a reliable landmark for the worms. Although the length of the training period for individual salamanders varied （22-38 trainings per individual）, the mean number of trainings for salamanders in the control and experimental groups was equal （30 training trials）. During testing, no blackworms were present to eliminate any visual or chemical cues emanating directly from the prey. Individuals trained with the rock landmarks spent sig- nificantly more time in the area of the landmark than did control salamanders [Current Zoology 57 （4）： 485-490, 2011].

关键词： Landmark learning Spatial learning Salamander learning Plethodon angusticlavius Beacon

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Use of coals and wastes in a co-gasification process aimed at producing hydrogen rich gas

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International Journal of Coal Science & Technology 2022年第6期9卷 161-167页

作者： Rafal Gssior adam Smoliński Polish Mining Group Inc. KatowicePoland Central Mining Institute KatowicePoland

The use of low-quality coals and flotoconcentrates is currently severely limited,and the problem of managing municipal waste from anthropogenic activities is currently a *** problems of reducing carbon dioxide emissions,utilizing the energy potential of waste and increasing its recycling have an impact on the costs of electricity *** the abundant streams of unused fuels,they can be considered as attractive energy materials,so environmentally-friendly and cost-effective options for their utilization should be developed.A study was conducted using steam co-gasification technology on selected coals,flotation concentrates and Refuse Derived Fuel(RDF)alternative *** low-quality coals were combined with RDF alternative fuel in a process aimed at hydrogen *** experiments produced gas with hydrogen concentrations ranging from 67%(vol.)to 68%(vol.)with low methane *** was observed that the addition of alternative fuels helped to increase the hydrogen concentration in *** was paid to the catalytic ability of the metal oxides contained in the fuel blend,with particular reference to K_(2)O and Al_(2)O_(3)and TiO_(2).

关键词： Coal Hydrogen Flotation concentrate Refuse derived fuel Catalytic capacity Catalysts

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Phylogenetic status of Pneumocystis from corticosteroid-treated gerbils

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Science China(Life Sciences) 2010年第10期53卷 1239-1246页

作者： RODNEY D adam Department of Medicine and Immunobiology University of Arizona College of Medicine

Pneumocystis spp. infect the lungs of multiple mammalian species and cause disease in immunosuppressed individuals. The Pneumocystis isolates that have been studied to date fall into two major clades, those from primates and those from rodents. Within each of these clades, different species have been described on the basis of host specificity and differences in sequence and morphology. Here, we demonstrate that dexamethasone immunosuppression consistently results in histologically apparent lung infection in gerbils (28/35 animals). Sequence analysis of the 18S, 5.8S and internal transcribed spacer regions of the rDNA and a portion of the mitochondrial large subunit rDNA demonstrated that this gerbil Pneumocystis is grouped with other rodent Pneumocystis spp., but is distinct from them. Our results suggest that gerbil Pneumocystis differs sufficiently from Pneumocystis species found in other rodents to be considered a separate species.

关键词： 5.8S rRNA gene gerbil internal transcribed spacers (ITS) mitochondrial large subunit (mtLS) rRNA gene 18S rRNA gene Pneumocystis

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反套路面试法

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商业评论 2024年第7期 108-113页

作者：亚当·布莱恩特徐广彤 ExCo集团

"如果时间、经费和人才都不是问题,你会怎样做?"这是Evofem生物技术公司CEO桑德拉·佩尔蒂埃(Saun-dra Pelletier)分享给我的一道面试题.当时我问她是怎样面试求职者的——这也是我在过去十年为《纽约时报》(The New York Times)创作每...

"如果时间、经费和人才都不是问题,你会怎样做?"这是Evofem生物技术公司CEO桑德拉·佩尔蒂埃(Saun-dra Pelletier)分享给我的一道面试题.当时我问她是怎样面试求职者的——这也是我在过去十年为《纽约时报》(The New York Times)创作每周一期的"总裁办公室"系列专栏时,经常与CEO们探讨的主题之一.

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The Future of Cosmology and the Role of Non-Linear Perturbations

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Communications in Theoretical Physics 2012年第2期57卷 323-325页

作者： adam J.Christopherson Astronomy Unit School of Mathematical SciencesQueen Mary University of LondonMile End RoadLondonE1 4NSUK

Cosmological perturbation theory is a key tool to study the *** linear or first order theory is well understood,however,developing and applying the theory beyond linear order is at the cutting edge of current research in theoretical *** this article,I will describe some signatures of non-linear perturbation theory that do not exist at linear order,focusing on vorticity generation at second *** doing so,we discuss why this,among other features such as induced gravitational waves and non-Gaussianities,shows that cosmological perturbation theory is crucial for testing models of the universe.

关键词： cosmology perturbation theory non-linear

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Can a dam type of an alpine lake be derived from lake geometry?A negative result

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Journal of Mountain Science 2021年第3期18卷 614-621页

作者： adam EMMER Vojtěch CURIN University of Graz Institute of Geography and Regional ScienceCascade|The Mountain Processes and Mountain Hazards GroupGraz 8010Austria Czech Academy of Sciences Prague 16500Czechia Global Change Research Institute Czech University of Life Sciences PragueFaculty of Environmental SciencesBrno 60300Czechia

Glacial lake outburst floods(GLOFs)represent one of the most serious hazard and risk in deglaciating high mountain regions worldwide and the need for GLOF hazard and risk assessment is *** a consequence,numerous region-and nation-wide GLOF assessment studies have been published *** studies cover large areas and consider hundreds to thousands of lakes,prioritizing the hazard posed by ***,certain simplification is required for executing such studies,often resulting in neglecting qualitative characteristics which would need manual *** lake dam types(e.g.,bedrock-dammed,moraine-dammed)are often not distinguished,despite they control GLOF mechanism(dam overtopping/dam breach)and thus GLOF *** this study,we explore the potential of easily measurable quantitative characteristics and four ratios to approximate the lake dam *** dataset of 851 lakes of the Cordillera Blanca suggests that while variances and means of these characteristics of individual lake types differ significantly(F-test,t-test),value distribution of different geometrical properties can’t be used for the originally proposed purpose along the *** only promising results are obtained for extreme values(selected bins)of the *** instance,the low width to length ratio indicates likely morainedammed lake while the high value of ratio indicating round-shape of the lake indicates increased likelihood of bedrock-dammed ***,we report a negative result of our experiment since there are negligible differences of relative frequencies in most of the bins along the spectra.

关键词： Alpine lake High mountain lake GLOFs Glacial lake Moraine-dammed Bedrock-dammed Negative result Cordillera Blanca

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Current and emerging trends in prostate cancer immunotherapy

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Asian Journal of Andrology 2019年第1期21卷 6-11页

作者： adam Schatz Badar M Mian Division of Urology Albany Medical CollegeAlbany NY 12054USA.

There have been a number of recent developments in the treatment of castration-resistant prostate cancer which seek to exploit the hormonal ***,the castration-resistant prostate cancer remains a major challenge since this is the lethal and incurable phenotype which results in tens of thousands of deaths every *** has been emerging interest in utilizing anticancer immunotherapy in prostate cancer,especially since the development of *** other prostate cancer therapeutic vaccines including autologous and allogeneic vaccines,as well as viral vector-based vaccines,have demonstrated promising results in early trials.

关键词： prostate cancer immunotherapy hormonal axis

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Genetic pathways controlling inflorescence architecture and development in wheat and barley

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Journal of Integrative Plant Biology 2019年第3期61卷 296-309页

作者： adam Gauley Scott A.Boden Department of Crop Genetics John Innes Centre Norwich Research Park

Modifications of inflorescence architecture have been crucial for the successful domestication of wheat and barley, which are central members of the Triticeae tribe that provide essential grains for the human diet. Investigation of the genes and alleles that underpin domestication-related traits has provided valuable insights into the molecular regulation of inflorescence development of the Triticeae, and further investigation of modified forms of architecture are proving to be equally *** identified genes are involved in diverse biological processes, including transcriptional regulation, hormone biosynthesis and metabolism, post-transcriptional and post-translational regulation, which alter inflorescence architecture by modifying the development and fertility of lateral organs, called spikelets and florets. Recent advances in sequencing capabilities and the generation of mutant populations are accelerating the identification of genes that influence inflorescence development, which is important given that genetic variation for this trait promises to be a valuable resource for optimizing grain production. This review assesses recent advances in our understanding of the genes controlling inflorescence development in wheat and barley, with the aim of highlighting the importance of improvements in developmental biology for optimizing the agronomic performance of staple crop plants.

关键词： Genetic pathways Modifications architecture

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