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| 1 | The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies显示文摘The Open Quantum Materials Database(OQMD)is a high-throughput database currently consisting of nearly 300,000 density functional theory(DFT)total energy calculations of compounds from the Inorganic Crystal Structure Database(ICSD)and decorations of commonly occurring crystal structures.To maximise the impact of these data,the entire database is being made available,without restrictions,at www.oqmd.org/download.In this paper,we outline the structure and contents of the database,and then use it to evaluate the accuracy of the calculations therein by comparing DFT predictions with experimental measurements for the stability of all elemental ground-state structures and 1,670 experimental formation energies of compounds.This represents the largest comparison between DFT and experimental formation energies to date.The apparent mean absolute error between experimental measurements and our calculations is 0.096 eV/atom.In order to estimate how much error to attribute to the DFT calculations,we also examine deviation between different experimental measurements themselves where multiple sources are available,and find a surprisingly large mean absolute error of 0.082 eV/atom.Hence,we suggest that a significant fraction of the error between DFT and experimental formation energies may be attributed to experimental uncertainties.Finally,we evaluate the stability of compounds in the OQMD(including compounds obtained from the ICSD as well as hypothetical structures),which allows us to predict the existence of~3,200 new compounds that have not been experimentally characterised and uncover trends in material discovery,based on historical data available within the ICSD. | Scott Kirklin James E Saal Bryce Meredig Alex Thompson Jeff W Doak Muratahan Aykol Stephan Rühl Chris Wolverton | 2015 | npj Computational Materials2015，，1： | 62 |
| 2 | The wonders of BMP9:From mesenchymal stem cell differentiation,angiogenesis,neurogenesis,tumorigenesis,and metabolism to regenerative medicine显示文摘Although bone morphogenetic proteins(BMPs)initially showed effective induction of ectopic bone growth in muscle,it has since been determined that these proteins,as members of the TGF-b superfamily,play a diverse and critical array of biological roles.These roles include regulating skeletal and bone formation,angiogenesis,and development and homeostasis of multiple organ systems.Disruptions of the members of the TGF-b/BMP superfamily result in severe skeletal and extra-skeletal irregularities,suggesting high therapeutic potential from understanding this family of BMP proteins.Although it was once one of the least characterized BMPs,BMP9 has revealed itself to have the highest osteogenic potential across numerous experiments both in vitro and in vivo,with recent studies suggesting that the exceptional potency of BMP9 may result from unique signaling pathways that differentiate it from other BMPs.The effectiveness of BMP9 in inducing bone formation was recently revealed in promising experiments that demonstrated efficacy in the repair of critical sized cranial defects as well as compatibility with bone-inducing bio-implants,revealing the great translational promise of BMP9.Furthermore,emerging evidence indicates that,besides its osteogenic activity,BMP9 exerts a broad range of biological functions,including stem cell differentiation,angiogenesis,neurogenesis,tumorigenesis,and metabolism.This review aims to summarize our current understanding of BMP9 across biology and the body. | Sami Mostafa Mikhail Pakvasa Elam Coalson Allen Zhu Alex Alverdy Hector Castillo Jiaming Fan Alex Li Yixiao Feng Di Wu Elliott Bishop Scott Du Mia Spezia Alissa Li Ofir Hagag Alison Deng Winny Liu Mingyang Li Sherwin S·Ho Aravind Athiviraham Michael J·Lee Jennifer Moriatis Wolf Guillermo A·Ameer Hue H·Luu Rex C·Haydon Jason Strelzow Kelly Hynes Tong-Chuan He Russell R·Reid | 2019 | Genes & Diseases2019，6，3： | 15 |
| 3 | Estrogen deficiency leads to telomerase inhibition, telomere shortening and reduced cell proliferation in the adrenal gland of mice显示文摘雌激素缺乏调停变老,但是内在的机制尚待充分坚定。我们这里报导 aromatase 的指向的混乱在老鼠引起的雌激素缺乏在 vivo 在肾上腺导致 telomerase 活动的重要抑制。基因表示分析证明当雌激素不在时, telomerase 颠倒 transcriptase (TERT ) 基因表示在肾上腺外皮和肾的萎缩与损害房间增长联合被减少。在 c 工具包积极的干细胞被识别在肾的外皮的实质占据。telomeres 的分析表明那雌激素缺乏比那在肾的外皮导致显著地更短的 telomeres 在野类型(WT ) 控制鼠标。为了推进,建立雌激素的原因的效果,我们在这些雌激素缺乏的动物进行了雌激素代替治疗。为 3 个星期的雌激素的管理在雌激素缺乏的老鼠恢复 TERT 基因表示, telomerase 活动和房间增长。因此,我们第一次,那雌激素缺乏在 vivo 在鼠标的肾上腺引起 TERT 基因表示, telomerase 活动, telomere 维护,和房间增长的抑制的数据表演,建议那 telomerase 抑制并且 telomere 弄短可以调停在肾上腺的房间增长拘捕,因此贡献雌激素在生理的条件下面的导致缺乏的老化。 | Sharyn Bayne Margaret EE Jones He Li Alex R Pinto Evan R Simpson Jun-Ping Liu | 2008 | Cell Research2008，18，11： | 6 |
| 4 | Early infant male circumcision:Systematic review,risk-benefit analysis,and progress in policy显示文摘AIM To determine whether recent evidence-based United States polices on male circumcision(MC) apply to comparable Anglophone countries,Australia and New Zealand.METHODS Articles in 2005 through 2015 were retrieved from PubM ed using the keyword 'circumcision' together with 36 relevant subtopics.A further PubM ed search was performed for articles published in 2016.Searches of the EMBASE and Cochrane databases did not yield additional citable articles.Articles were assessed for quality and those rated 2+ and above according to the Scottish Intercollegiate Grading System were studied further.The most relevant andrepresentative of the topic were included.Bibliographies were examined to retrieve further key references.Randomized controlled trials,recent high quality systematic reviews or meta-analyses(level 1++ or 1+ evidence) were prioritized for inclusion.A risk-benefit analysis of articles rated for quality was performed.For efficiency and reliability,recent randomized controlled trials,metaanalyses,high quality systematic reviews and large welldesigned studies were used if available.Internet searches were conducted for other relevant information,including policies and Australian data on claims under Medicare for MC.RESULTS Evidence-based policy statements by the American Academy of Pediatrics(AAP) and the Centers for Disease Control and Prevention(CDC) support infant and later age male circumcision(MC) as a desirable public health measure.Our systematic review of relevant literature over the past decade yielded 140 journal articles that met our inclusion criteria.Together,these showed that early infant MC confers immediate and lifelong benefits by protecting against urinary tract infections having potential adverse long-term renal effects,phimosis that causes difficult and painful erections and 'ballooning' during urination,inflammatory skin conditions,inferior penile hygiene,candidiasis,various sexually transmissible infections in both sexes,genital ulcers,and penile,prostate and cervical cancer.Our risk-benefit analysis showed that benefits exceeded procedural risks,which are predominantly minor,by up to 200 to 1.We estimated that more than 1 in 2 uncircumcised males will experience an adverse foreskin-related medical condition over their lifetime.Wide-ranging evidence from surveys,physiological measurements,and the anatomical location of penile sensory receptors responsible for sexual sensation strongly and consistently suggested that MC has no detrimental effect on sexual function,sensitivity or pleasure.United States studies showed that early infant MC is cost saving.The evidence supporting early infant MC has further strengthened since the positive AAP and CDC reviews.CONCLUSION Affirmative MC policies are needed in Australia and New Zealand.Routine provision of accurate,unbiased education,and access in public hospitals,will maximize health and financial benefits. | Brian J Morris Sean E Kennedy Alex D Wodak Adrian Mindel David Golovsky Leslie Schrieber Eugenie R Lumbers David J Handelsman John B Ziegler | 2017 | World Journal of Clinical Pediatrics2017，6，1： | 2 |
| 5 | Measurement of muscle activity with magnetic resonance elastography显示文摘 | Guido Heers Thomas Jenkyn M. Alex Dresner Marc-Oliver Klein Jeffrey R Basford Kenton R Kaufman Richard L Ehman Kai-Nan An | 2003 | Clinical Biomechanics2003，，6： | 2 |
| 6 | Imaging pancreatobiliary ductal system with optical coherence tomography: A review显示文摘An accurate, noninvasive and cost-effective method of in situ tissue evaluation during endoscopy would be highly advantageous for the detection of dysplasia or early cancer and for identifying different disease stages. Optical coherence tomography(OCT) is a noninvasive, high-resolution(1-10 μm) emerging optical imaging method with potential for identifying microscopic subsurface features in the pancreatic and biliary ductal system. Tissue microstructure of pancreaticobiliary ductal system has been successfully imaged by inserting an OCT probe through a standard endoscope operative channel. High-resolution OCT images and the technique's endoscopic compatibility have allowed for the microstructural diagnostic of thepancreatobiliary diseases. In this review, we discussed currently available pancreaticobiliary ductal imaging systems to assess the pancreatobiliary tissue microstructure and to evaluate varieties of pancreaticobiliary disorders and diseases. Results show that OCT can improve the quality of images of pancreatobiliary system during endoscopic retrograde cholangiopancheatography procedure, which may be important in distinguishing between the neoplastic and non-neoplastic lesions. | Mohammad S Mahmud Gray R May Mohammad M Kamal Ahmed S Khwaja Carry Sun Alex Vitkin Victor XD Yang | 2013 | World Journal of Gastrointestinal Endoscopy2013，5，11： | 2 |
| 7 | Poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) supports adhesion and migration of mesenchymal stem cells and tenocytes显示文摘AIM: To establish the potential of poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) (PHBHHx) as a material for tendon repair. METHODS: The biocompatibility of PHBHHx with both rat tenocytes (rT) and human mesenchymal stem cells (hMSC) was explored by monitoring adhesive characteristics on films of varying weight/volume ratios coupled to a culture atmosphere of either 21% O2 (air) or 2% O2 (physiological normoxia). The diameter and stiffness of PHBHHx films was established using optical coherence tomography and mechanical testing, respectively. RESULTS: Film thickness correlated directly with weight/volume PHBHHx (r2 = 0.9473) ranging from 0.1 mm (0.8% weight/volume) to 0.19 mm (2.4% weight/volume). Film stiffness on the other hand displayed a biphasic response which increased rapidly at values > 1.6% weight/volume. Optimal cell attachment of rT required films of ≥ 1.6% and ≥ 2.0% weight/volume PHBHHx in 2% O2 and 21% O2 respectively. A qualitative adhesion increase was noted for hMSC in films ≥ 1.2% weight/volume, becoming significant at 2% weight/volume in 2% O2. An increase in cell adhesion was also noted with ≥ 2% weight/volume PHBHHx in 21% O2. Cell migration into films was not observed. CONCLUSION: This evaluation demonstrates that PHBHHx is a suitable polymer for future cell/polymer replacement strategies in tendon repair. | Alex J Lomas George GQ Chen Alicia J El Haj Nicholas R Forsyth | 2012 | World Journal of Stem Cells2012，4，9： | 2 |
| 8 | Genome sequence and analysis of the soil cellulolytic actinomyeete Thermobifidafusca YX 显示文摘 | Athanasios L Konstantinos M Natalia I lain A Miriam L Genevieve D Michele M Alia L Susan L Alex C Paul R David BW Nikos K | 2007 | J Bacteriol2007，189，6： | 1 |
| 9 | Understanding geophysical responses of shale-gas plays显示文摘 | ZHU Y P LIU E R ALEX M | 2011 | The Leading Edge2011，30，3： | 1 |
| 10 | Identificaton of anthrax toxin genes in a Bacillus cereus associated with an illness resembling inhalation anthrax显示文摘 | Alex R Jacqus R David A | 2004 | J Proc NaflAcad Sci U S A2004，101，22： | 1 |
| 11 | Aromatase enzyme actlvety and sex determina-tion in chickens显示文摘 | Alex E Smith R G | 1992 | Science1992，255，： | 1 |
| 12 | Transforming growth fac- tor- 13signaling: emerging stem cell target in metastatic breast cancer 显示文摘 | Tan A R Alexe G Reiss M | 2009 | Breast Cancer Res Treat2009，115，3： | 1 |
| 13 | A fuzzy linear basis algorithm for nonlinear separable programming problems显示文摘 | WANG P Z STERMARK R ALEX R | 2001 | Fuzzy Sets and Systems2001，119，： | 1 |
| 14 | Preparation and Characterization of Organoclay-rubber Nanocomposites Via a New Route with Skim Natural Rubber Latex显示文摘 | Alex R Nah C | 2006 | Journal of Applied Polymer Science2006，102，4： | 1 |
| 15 | Flocculation of Saccharomyces cerevisiae显示文摘 | Jin Y L Alex Speers R | 1998 | Food Research International1998，31，6： | 1 |
| 16 | 成人2型糖尿病不同筛查及预防策略成本效益分析显示文摘目的 比较针对2型糖尿病预防及治疗的4种筛查策略及随后予以的干预措施:(a)筛查2型糖尿病患者使其能接受早期检查及治疗,(b)筛查2型糖尿病和糖耐量受损患者,对糖耐量受损的人群予以生活方式干预以延缓或预防糖尿病的发生,(c)同(b)但予以药物干预措施,(d)不筛查。
设计 成本效益决策分析建立在对概率的发展和评估基础上,是从筛查到死亡的综合性经济决策分析模型。
研究对象 一组假设人群,筛查时年龄45岁,高于平均糖尿病风险水平。
数据来源 电子书目数据库收录的已发表的临床试验和流行病学研究;补充数据分别来自英国和威尔士健康统计署、风险筛查(STAR)研究和ADDITION研究的Leicester部分。
方法 建立一种决策树/Markov混合模型,以模拟每一种筛查策略的长期效用,包括临床和成本效益终点。该模型假设水平跨度为50年时间,其成本效益折损率为3.5%。采用敏感度分析以验证模型假设及确定哪种模型数据输入对结果的影响最大。
结果 与不筛查策略比较,筛查2型糖尿病、筛查糖尿病和糖耐量受损并予以生活方式干预、筛查糖尿病和糖耐量受损并予以药物干预治疗3种策略,每获得一个质量调整生命年(QALY)估计所需成本分别为(每年成本效益贴现率为3.5%)14150英镑(17560欧元;27860美元)、6242英镑和7023英镑。在支付意愿阈值为20000英镑时,各主动筛查策略通过干预产生的成本效益概率分别为49%,93%和85%。
结论 对年龄45岁、高于平均风险水平的人群进行2型糖尿病和糖耐量受损的筛查,并对糖耐量受损人群予以适当的干预似乎具有很好的成本效益。单独筛查糖尿病而不对糖耐量受损人群予以干预的策略具有的成本效益仍不确定,需要进一步研究确定早期检测糖尿病的作用。 | Clare L Gillies Paul C Lambert Keith R Abrams Alex J Sutton Nicola J Cooper Ron T Hsu Melanie J Davies Kamlesh Khunti 张晓梅(译) 纪立农(校) | 2008 | 英国医学杂志中文版2008，11，5： | 1 |
| 17 | Transtibial versus anteromedial por-tal drill ing for anterior cruciate ligament reconstruction:a cadaveric study of femoral tunnel length and obliquity 显示文摘 | Asheesh B Brad R Alex M | 2010 | Arthroscopy2010，26，3： | 1 |
| 18 | Calculation of Stribeck curves for (water) lubricated journal bearings 显示文摘 | ALEX DE K VAN OSTAYEN R A J RIXEN D J | 2007 | Tribology International2007，40，： | 1 |
| 19 | In situ reduction of hexavalent chromium in al- kaline soils enriched with chromite ore processing residue 显示文摘 | Higgins T E Halloran A R Dobbins M E Pittignano Alex J | 1998 | Journal of the Air & Waste Management Associa- tion1998，48，11： | 1 |
| 20 | An old herbal medicine with a potentiallynew therapeutic application in inflammatory bowel disease 显示文摘 | Li R Alex P Ye M | 2011 | Int JClin Exp Med2011，4，4： | 1 |
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