|
|
|
题名
|
作者
|
年代
|
出处
|
被引量
|
| 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 | 循证医学论争的哲学分析(上)显示文摘首先 ,我们认为EBM的支持者对EBM的定义过于宽泛 ,甚至是空洞的 ,这正是当前的有关讨论不明朗的原因 ;对此我们提出了一种更明晰的解释 ,重新阐述EBM的含义及与其他医学方法的关系。第二 ,EBM的支持者通常依据ThomasKuhn的哲学著作来说明EBM是一种Kuhn式的“范式转化” ;我们认为 ,这种说明是一种严重的错误 ,并且使有关EBM的争论过度的偏离常轨。第三 ,我们建议以W .V .Quine的信仰之网的哲学观念来理解EBM及其与其他医学方法的关系 ,这是一种更富有成果的理解方式。基于这种理解 。 | Scott R Sehon Donald E Stanley 韩鹏 程伟 | 2004 | 医学与哲学2004，25，2： | 9 |
| 3 | Efficacy of peroral endoscopic myotomy vs other achalasia treatments in improving esophageal function显示文摘AIM: To assess and compare the esophageal function after peroral endoscopic myotomy(POEM) vs other conventional treatments in achalasia.METHODS: Chart review of all achalasia patients who underwent POEM, laparoscopic Heller myotomy(LHM) or pneumatic dilation(PD) at our institution between January 2012 and March 2015 was performed. Patient demographics, type of achalasia, prior treatments, pre- and post-treatment timed barium swallow(TBE) and high-resolution esophageal manometry(HREM) findings were compared between the three treatment groups. Patients who had both pre- and 2 mo posttreatment TBE or HREM were included in the final analysis. TBE parameters compared were barium column height, width and volume of barium remaining at 1 and 5 min. HREM parameters compared were basal lower esophageal sphincter(LES) pressures and LES-integrated relaxation pressures(IRP). Data are presented as mean ± SD, median [25th, 75 th percentiles] or frequency(percent). Analysis of variance, KruskalWallis test, Pearsons χ~2 test and Fishers Exact tests were used for analysis.RESULTS: A total of 200 achalasia patients were included of which 36 underwent POEM, 22 underwent PD and 142 underwent LHM. POEM patients were older(55.4 ± 16.8 years vs 46.5 ± 15.7 years, P = 0.013) and had higher BMI than LHM(29.1 ± 5.9 kg/m^2 vs 26 ± 5.1 kg/m^2, P = 0.012). More number of patients in POEM and PD groups had undergone prior treatments compared to LHM group(72.2% vs 68.2% vs 44.3% respectively, P = 0.003). At 2 mo post-treatment, all TBE parameters including barium column height, width and volume remaining at 1 and 5 min improved significantly in all three treatment groups(P = 0.01 to P < 0.001) except the column height at 1 min in PD group(P = 0.11). At 2 mo post-treatment, there was significant improvement in basal LES pressure and LES-IRP in both LHM(40.5 mm Hg vs 14.5 mm Hg and 24 mm Hg vs 7.1 mm Hg respectively, P < 0.001) and POEM groups(38.7 mm Hg vs 11.4 mm Hg and 23.6 mm Hg vs 6.6 mm Hg respectively, P < 0.001). However, when the efficacy of three treatments were compared to each other in terms of improvement in TBE or HREM parameters at 2 mo, there was no significant difference(P > 0.05).CONCLUSION: POEM, PD and LHM were all effective in improving esophageal function in achalasia at shortterm. There was no difference in efficacy between the three treatments. | Madhusudhan R Sanaka Umar Hayat Prashanthi N Thota Ramprasad Jegadeesan Monica Ray Scott L Gabbard Neha Wadhwa Rocio Lopez Mark E Baker Sudish Murthy Siva Raja | 2016 | World Journal of Gastroenterology2016，22，20： | 7 |
| 4 | 循证医学论争的哲学分析(下)显示文摘 | Scott R Sehon Donald E Stanley 韩鹏 程伟 | 2004 | 医学与哲学2004，25，3： | 5 |
| 5 | Inflammation and Alzheimer’s disease显示文摘 | Haruhiko Akiyama Steven Barger Scott Barnum Bonnie Bradt Joachim Bauer Greg M Cole Neil R Cooper Piet Eikelenboom Mark Emmerling Berndt L Fiebich Caleb E Finch Sally Frautschy W.S.T Griffin Harald Hampel Michael Hull Gary Landreth Lih–Fen Lue Robert Mrak | 2000 | Neurobiology of Aging2000，，3： | 2 |
| 6 | Acquired mutation of the tyrosine kinase JAK2 in human myeloproliferative disorders显示文摘 | E Joanna Baxter Linda M Scott Peter J Campbell Clare East Nasios Fourouclas Soheila Swanton George S Vassiliou Anthony J Bench Elaine M Boyd Natasha Curtin Mike A Scott Wendy N Erber Anthony R Green | 2005 | The Lancet . 2005 (9464)2005，，： | 2 |
| 7 | EWI-2 negatively regulates TGF-β signaling leading to altered melanoma growth and metastasis显示文摘 | Hong-Xing Wang Chandan Sharma Konstantin Knoblich Scott R Granter Martin E Hemler | 2015 | Cell Research2015，25，3： | 2 |
| 8 | Mechanical Properties of Tension Leveled and Skin Passed Steels显示文摘 | Hnggan E J Scott R I Bamett M R | 2002 | Journal of Material Processing Technology2002，，： | 1 |
| 9 | Calcium anidotrihydroborate:a hydrogen storage material显示文摘 | Diyabalanage H V K Shrestha R P Semelsberger TA Scott B L Bowden M E Davis B L Burrell A K | | 0，，47： | 1 |
| 10 | Cognitive-behavioural therapy for severe and recurrent bipolar disorders: randomised controlled trial显示文摘 | Scott J Paykel E Morriss R | 2006 | Br J Psychiatry2006，188，： | 1 |
| 11 | Cesarean delivery for fetal distress: Rate and risk factors 显示文摘 | CHAUHAN S P MAGANN E F SCOTT J R | 2003 | Obstet Gynecol Surv2003，58，5： | 1 |
| 12 | Meta-analysis of genomewide association data and large-scale replication identifies additional susceptibility loci for type 2 diabetes显示文摘 | Zeggini E Scott LJ Saxena R | 2008 | Nat Genet2008，40，： | 1 |
| 13 | Maize yield losses caused by southern corn rust显示文摘 | Rodrigues-Ardon R Scott G E Hennen J F | 1980 | Crop Sci1980，20，： | 1 |
| 14 | percutaneous transthoraeic needle aspiration biopsy:a comprehensive review of its current role in the diagnosis and treatment of lung lumors显示文摘 | Larseheid R C Thorpe P E Scott W J | 1998 | Chest1998，114，3： | 1 |
| 15 | Determination of the enantiomers of salbutamol and its 4-Osulphate metabolites in biological matrices by chiral liquid chromatography tandem mass spectrometry 显示文摘 | Joyce K B Jones A E Scott R J | 1998 | Rapid Commum Mass Spectrom1998，12，： | 1 |
| 16 | Electroencephalographic quantitation of opioid effect:Comparative pharmacodynamics of fentanyl and sufentanil显示文摘 | SCOTT J C COOKE J E STANSKI D R | 1991 | Anesthesiology1991，74，1： | 1 |
| 17 | Facts and recommendations about total homocysteine determinations:an expert opinion显示文摘 | Refsum H Smith A D Ueland P M Nexo E Clarke R McPartlinJ Johnston C Engbaek F SchneedeJ McPartlin C Scott J M | 2004 | Clinical Chemistry2004，50，1： | 1 |
| 18 | An analysis of growth of the potato crop显示文摘 | Allen E J Scott R K | 1980 | J Agric Sci Camb1980，94，： | 1 |
| 19 | Foundry air contaminants from green sand molds显示文摘 | SCOTT W D JAMES R H BATES C E | 1976 | Am Ind Hyg Assoe J1976，37，： | 1 |
| 20 | Metabolism of Polyamines in transgenic cells of carrot expressingf a mouse ornithine decarboxylase cDNA显示文摘 | SCOTT E A DHUNDY R B | 1996 | PlantPhysiology1996，116，： | 1 |
您所在的机构暂未开通此部分的功能，请联系管理员