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comparing crystal structures with symmetry and geometry

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npj computational Materials 2021年第1期7卷 1491-1501页

作者： John c.thomas Anirudh Raju Natarajan Anton Van der Ven Materials Department University of CaliforniaSanta BarbaraCAUSA

Measuring the similarity between two arbitrary crystal structures is a common challenge in crystallography and materials *** there are an infinite number of ways to mathematically relate two crystal structures,only a few are physically *** we introduce both a geometry-based and a symmetry-adapted similarity metric to compare crystal *** crystal symmetry and combinatorial optimization we describe an algorithm to arrive at the structural relationship that minimizes these similarity metrics across all possible maps between any pair of crystal *** approach makes it possible to(i)identify pairs of crystal structures that are identical,(ii)quantitatively measure the similarity between crystal structures,and(iii)find and rank structural transformation pathways between any pair of crystal *** discuss the advantages of using the symmetryadapted cost metric over the geometric ***,we show that all known structural transformation pathways between common crystal structures are recovered with the mapping *** methodology presented in this study will be of value to efforts that seek to catalogue crystal structures,identify structural transformation pathways or prune large first-principles datasets used to parameterize on-lattice Hamiltonians.

关键词： crystal symmetry similarity

Biochar granulation reduces substrate erosion on green roofs

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Biochar 2022年第1期4卷 164-176页

作者： Wenxi Liao Melanie A.Sifton Sean c.thomas Institute of Forestry and conservation John H Daniels Faculty of Architecture Landscape and DesignUniversity of Toronto33 Willcocks St.TorontoON M5S 3B3Canada

Green roofs are exposed to high winds and harsh environmental conditions that can degrade vegetation and erode substrate material,with negative consequences to ecosystem *** has been promoted as an effective substrate additive to enhance plant performance,but unprocessed biochars are susceptible to wind and water *** of granulated biochars or chemical dust suppressants are suggested as a means to mitigate biochar and substrate erosion;however,research on biochar type and chemical dust suppressant use on biochar and substrate erosion is *** is a crucial factor that influences substrate erosion,yet plant responses may vary with biochar type and chemical dust suppressant;thus,the effects of possible mitigation measures on biochar and substrate erosion are *** investigated the effects of surface-applied granulated and unprocessed biochars and an organic dust suppressant(Entac™)on biochar and substrate erosion on green roofs with Sedum album *** a native plant *** results show that 94%of unprocessed biochars were lost from green roofs after 2 years regardless of the Entac™amendment,likely due to the lightweight nature and fragmentation of biochar *** contrast,granulation of biochars reduced the biochar erosion and total substrate erosion by 74%and 39%,respec-tively,possibly due to enhanced biochar bulk density and particle size and improved moisture retention of biochar-amended ***,Sedum album better reduced biochar and substrate erosion than the native plant mix,likely due to rapid development of high vegetation cover that reduced wind exposure and enhanced substrate moisture *** conclude that applications of granulated biochars can substantially reduce biochar and sub-strate erosion on green roofs,improving green roof sustainability.

关键词： charcoal Post-processing Dust suppressant Erosion control Vegetation Green infrastructure

Murine studies and expressional analyses of human cardiac pericytes reveal novel trajectories of SARS-coV-2 Spike protein-induced microvascular damage

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Signal Transduction and Targeted Therapy 2023年第7期8卷 3211-3214页

作者： Elisa Avolio Prashant K.Srivastava Jiahui Ji Michele carrabba christopher T.W.Tsang Yue Gu Anita c.thomas Kapil Gupta Imre Berger costanza Emanueli Paolo Madeddu Bristol Medical School Translational Health SciencesUniversity of BristolBristolUK National Heart&Lung Institute Imperial CollegeLondonUK School of Biochemistry University of BristolBristolUK

Dear Editor,The coronavirus disease 2019(cOVID-19)pandemic has caused over 670 million cases and 6.7 million deaths worldwide,many of which are attributed to cardiovascular ***-induced endothelial damage,endothelial b... 详细信息

关键词： damage cardiovascular cardiac

commentary:restarting NTD programme activities after the Ebola outbreak in Liberia

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Infectious Diseases of Poverty 2017年第1期6卷 455-458页

作者： Brent c.thomas Karsor Kollie Benjamin Koudou charles Mackenzie centre for Neglected Tropical Diseases(cNTD) Liverpool School of Tropical MedicineLiverpoolUK Neglected Tropical Disease Non-Communicable Disease and Eye Health GroupMinistry of HealthMonroviaLiberia

It is widely known that the recent Ebola Virus Disease(EVD)in West Africa caused a serious disruption to the national health system,with many of ongoing disease focused programmes,such as mass drug administration(MDA)for onchocerciasis(ONc),lymphatic filariasis(LF)and schistosomiasis(ScH),being suspended or *** these MDA programmes attempt to restart post-EVD it is important to understand the challenges that may be *** commentary addresses the opinions of the major health sectors involved,as well as those of community members,regarding logistic needs and challenges faced as these important public health programmes consider *** appears to be a strong desire by the communities to resume NTD programme activities,although it is clear that some important challenges remain,the most prominent being those resulting from the severe loss of trained staff.

关键词： West Africa Ebola Neglected tropical diseases Mass drug administration Health systems

Zeta电位计算过程中Henry函数的优化表达式

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光学学报 2017年第10期37卷 320-327页

作者：秦福元刘伟王文静 John c.thomas 王雅静申晋山东理工大学电气与电子工程学院山东淄博255049 Group Scientific Pty Ltd.

利用电泳光散射法可以确定带电颗粒的电泳迁移率,由电泳迁移率计算颗粒的Zeta电位需要准确确定Henry函数的数值。为此,利用最小二乘算法对精确Henry函数值进行拟合,获得优化Henry函数表达式;基于Gouy-chapman-Stern双电层模型理论,求解... 详细信息

利用电泳光散射法可以确定带电颗粒的电泳迁移率,由电泳迁移率计算颗粒的Zeta电位需要准确确定Henry函数的数值。为此,利用最小二乘算法对精确Henry函数值进行拟合,获得优化Henry函数表达式;基于Gouy-chapman-Stern双电层模型理论,求解不同浓度、不同类型电解质溶液中颗粒的双电层厚度,从而获得准确的颗粒半径a与双电层厚度k-1的比值ka;最后利用优化的函数表达式获得准确的Henry函数值。使用该方法分别计算4种不同浓度电解质下颗粒的Zeta电位,实验结果表明,利用优化的Henry函数可以有效提高颗粒Zeta电位的计算精度,计算结果的相对误差小于1.0%。

关键词：散射 Henry函数最小二乘法 Zeta电位双电层

非接触球囊标测指导血流动力学不稳定性或非持续性室性心动过速的射频消融

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中华心血管病杂志 2005年第11期33卷 998-1001页

作者：吴素华 c.thomas PETER WALTER F.KERWIN ELI S.GANG 马虹中山大学附属第一医院心内科广州510080 美国洛杉矶cEDARS-SINAI医学中心

目的探讨非接触球囊标测在指导血流动力学不稳定性或非持续性室性心动过速(室速)射频消融中的作用。方法17例室速患者,年龄50岁±9岁,经心室刺激诱发血流动力学不稳定性或非持续性室速后,使用非接触标测系统ENSITE3000标测室速的出口和(... 详细信息

目的探讨非接触球囊标测在指导血流动力学不稳定性或非持续性室性心动过速(室速)射频消融中的作用。方法17例室速患者,年龄50岁±9岁,经心室刺激诱发血流动力学不稳定性或非持续性室速后,使用非接触标测系统ENSITE3000标测室速的出口和(或)慢传导区,然后使用温控大头导管在室速出口作环形消融或横跨慢传导区进行线性消融。结果17例患者共诱发18次室速,周长为336MS±58MS。15例患者可确定室速的出口,为QRS波前10MS±16MS;其中5例是心肌梗死后室速,9例为右室流出道室速。5例心肌梗死后室速均可确定舒张期慢传导区,最早的心内膜舒张期电活动在QRS波前60·1MS±42·6MS。3例非持续性室速均可确定最早的心室激动点。18次室速中15次消融成功,1例没有进行消融,2例消融失败。结论非接触球囊心内膜标测能成功指导血流动力学不稳定性或非持续性室速的射频消融。

关键词：心动过速,室性导管消融术电生理学技术,心脏

Autonomous scanning probe microscopy investigations over WS_(2)and Au{111}

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npj computational Materials 2022年第1期8卷 916-922页

作者： John c.thomas Antonio Rossi Darian Smalley Luca Francaviglia Zhuohang Yu Tianyi Zhang Shalini Kumari Joshua A.Robinson Mauricio Terrones Masahiro Ishigami Eli Rotenberg Edward S.Barnard Archana Raja Ed Wong D.Frank Ogletree Marcus M.Noack Alexander Weber-Bargioni Molecular Foundry Lawrence Berkeley National LaboratoryBerkeleyCA94720United States Advanced Light Source Lawrence Berkeley National LaboratoryBerkeleyCA94720United States Department of Physics and NanoScience Technology center University of Central FloridaOrlandoFL32816United States Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPA16082United States center for Two-Dimensional and Layered Materials The Pennsylvania State UniversityUniversity ParkPA16802United States Department of Physics and Department of chemistry The Pennsylvania State UniversityUniversity ParkPA16802United States center for Advanced Mathematics for Energy Research Applications Lawrence Berkeley National LaboratoryBerkeleyCA94720United States

Individual atomic defects in 2D materials impact their macroscopic *** the interplay is challenging,however,intelligent hyperspectral scanning tunneling spectroscopy(STS)mapping provides a feasible solution to this technically difficult and time consuming ***,dense spectroscopic volume is collected autonomously via Gaussian process regression,where convolutional neural networks are used in tandem for spectral *** data enable defect segmentation,and a workflow is provided for machine-driven decision making during experimentation with capability for user *** provide a means towards autonomous experimentation for the benefit of both enhanced reproducibility and *** investigations on WS_(2)sulfur vacancy sites are explored,which is combined with local density of states confirmation on the Au{111}herringbone *** vacancies,pristine WS_(2),Au face-centered cubic,and Au hexagonal close-packed regions are examined and detected by machine learning methods to demonstrate the potential of artificial intelligence for hyperspectral STS mapping.

关键词： autonomous consuming packed

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DNA重组研究对遗传病诊断的贡献

江西医药 1988年第4期 398-400页

作者： c.thomas caskey

DNA重组技术应用前,人类基因组中DAN含量过于庞大(5×10~9碱基对),无法对人类基因进行化学分析。现在则可以在单个核苷酸水平对正常和突变基因进行比较。从宏观水平,通过对染色体上基因的定位和它们相互间的物理关系(连锁),正在绘制人... 详细信息

DNA重组技术应用前,人类基因组中DAN含量过于庞大(5×10~9碱基对),无法对人类基因进行化学分析。现在则可以在单个核苷酸水平对正常和突变基因进行比较。从宏观水平,通过对染色体上基因的定位和它们相互间的物理关系(连锁),正在绘制人类基因详细图谱。这种新近取得的知识,正在应用到人类遗传病的诊断和预防上。分子克隆化要对人类庞大而复杂的DNA结构进行深入研究,必须把DNA分子分解成便于处理的片段。利用核酸内切限制酶就能进行精密的分割。这些核酸酶能识别具有对称性的特定4～6个硷基顺序(旋转对称顺序即回文结构)。核酸内切限制酶多达100种以上,可以在各种部位进行准确的分割,产

关键词：核酸内切限制酶 DNA 克隆化基因人类基因组重组体出生前诊断实验室诊断 RFLP 地中海贫血基因遗传病疾病放射性探针

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继电器：活力犹在

软件 2008年第8期29卷 30-30,32页

作者： David c.thomas 李静（翻译）泰科电子不详

既然已经有了使用多年的固态继电器和种类多、价格低的集成印刷电路板电磁继电器,为什么还要重新设计插入式电磁继电器？原因在于,插入式继电器能够很好的解决许多问题。实际上,在工业和商业应用中,几十年前设计的传统插座式电磁继电器... 详细信息

既然已经有了使用多年的固态继电器和种类多、价格低的集成印刷电路板电磁继电器,为什么还要重新设计插入式电磁继电器？原因在于,插入式继电器能够很好的解决许多问题。实际上,在工业和商业应用中,几十年前设计的传统插座式电磁继电器仍然能够高效地解决困扰工业和商业应用多年的负荷开关问题。

关键词：固态继电器电磁继电器活力商业应用印刷电路板负荷开关插入式新设计