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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 | Immunopathogenesis of inflammatory bowel disease显示文摘Crohn’s disease and ulcerative colitis are chronic relapsing immune mediated disorders that results from an aberrant response to gut luminal antigen in genetically susceptible host. The adaptive immune response that is then triggered was widely considered to be a T-helper-1 mediated condition in Crohn’s disease and T-helper-2 mediated condition in ulcerative colitis. Recent studies in animal models, genome wide association, and basic science has provided important insights in in the immunopathogenesis of inflammatory bowel disease, one of which was the characterization of the interleukin-23/Th-17 axis. | David Q Shih Stephan R Targan | 2008 | World Journal of Gastroenterology2008，14，3： | 44 |
| 3 | Genetics of hepatocellular carcinoma显示文摘The completely assembled human genome has made it possible for modern medicine to step into an era rich in genetic information and high-throughput genomic analysis. These novel and readily available genetic resources and analytical tools may be the key to unravel the molecular basis of hepatocellular carcinoma (HCC). Moreover, since an efficient treatment for this disease is lacking, further understanding of the genetic background of HCC will be crucial in order to develop new therapies aimed at selected targets. We report on the current status and recent developments in HCC genetics. Special emphasis is given to the genetics and regulation of major signalling pathways involved in HCC such as p53, Wnt- signalling, TGFβ, Ras, and Rb pathways. Furthermore, we describe the influence of chromosomal aberrations as well as of DNA methylation. Finally, we report on the rapidly developing field of genomic expression profiling in HCC, mainly by microarray analysis. | Andreas Teufel Frank Staib Stephan Kanzler Arndt Weinmann Henning Schulze-Bergkamen Peter R Galle | 2007 | World Journal of Gastroenterology2007，13，16： | 21 |
| 4 | Update on autoimmune hepatitis显示文摘Autoimmune hepatitis (AIH) is a necroinflammatory liver disease of unknown etiology that occurs in children and adults of all ages. Characteristics are its autoimmune features,hyperglobulinemia (IgG),and the presence of circulating autoantibodies,as well as a response to immunosuppressant drugs. Current treatment consists of prednisone and azathioprine and in most patients this disease has become very treatable. Over the past 2 years,a couple of new insights into the genetic aspects,clinical course and treatment of AIH have been reported,which will be the focus of this review. In particular,we concentrate on genome-wide microsatellite analysis,a novel mouse model of AIH,the evaluation of a large AIH cohort for overlap syndromes,suggested novel criteria for the diagnosis of AIH,and the latest studies on treatment of AIH with budenoside and mycophenolate mofetil. | Andreas Teufel Peter R Galle Stephan Kanzler | 2009 | World Journal of Gastroenterology2009，15，9： | 17 |
| 5 | Metastatic type 1 gastric carcinoid:A real threat or just a myth?显示文摘AIM:To describe disease characteristics and treatment modalities in a group of rare patients with metastatic gastric carcinoid type 1(GCA1).METHODS:Information on clinical,biochemical,radiological,histopathological findings,the extent of the disease,as well as the use of different therapeutic modalities and the long-term outcome were recorded.Patients’data were assessed at presentation,and thereafter at 6 to 12 monthly intervals both clinically and biochemically,but also endoscopically and histopathologically.Patients were evaluated for the presence of specific symptoms;the presence of autoimmune disorders and the presence of other gastrointestinal malignancies in other family members were also recorded.The evaluation of response to treatment was defined using established WHO criteria.RESULTS:We studied twenty consecutive patients with a mean age of 55.1 years.The mean follow-up period was 83 mo.Twelve patients had regional lymph node metastases and 8 patients had liver metastases.The primary tumor mean diameter was 20.13±10.83mm(mean±SD).The mean Ki-67 index was 6.8%±11.2%.All but one patient underwent endoscopic or surgical excision of the tumor.The disease was stable in all but 3 patients who had progressive liver disease.All patients remained alive during the follow-up period.CONCLUSION:Metastatic GCA1 carries a good overall prognosis,being related to a tumor size of≥1 cm,an elevated Ki-67 index and high serum gastrin levels. | Simona Grozinsky-Glasberg Dimitrios Thomas Jonathan R Strosberg Ulrich-Frank Pape Stephan Felder Apostolos V Tsolakis Krystallenia I Alexandraki Merav Fraenkel Leonard Saiegh Petachia Reissman Gregory Kaltsas David J Gross | 2013 | World Journal of Gastroenterology2013，19，46： | 11 |
| 6 | Capecitabine and irinotecan with and without bevacizumab for advanced colorectal cancer patients显示文摘AIM:To investigate the efficacy and safety of capecitabine plus irinotecan±bevacizumab in advanced or metastatic colorectal cancer patients. METHODS:Forty six patients with previously untreated,locally-advanced or metastatic colorectal cancer(mCRC) were recruited between 2001-2006 in a prospective open-label phaseⅡtrial,in German community-based outpatient clinics.Patients received a standard capecitabine plus irinotecan(CAPIRI) or CAPIRI plus bevacizumab(CAPIRI-BEV) regimen every 3 wk. Dose reductions were mandatory from the first cycle in cases of>grade 2 toxicity.The treatment choice of bevacizumab was at the discretion of the physician.Theprimary endpoints were response and toxicity and secondary endpoints included progression-free survival and overall survival. RESULTS:In the CAPIRI group vs the CAPRI-Bev group there were more female than male patients(47% vs 24%) ,and more patients had colon as the primary tumor site(58.8%vs 48.2%) with fewer patients having sigmoid colon as primary tumor site(5.9%vs 20.7%) .Grade 3/4 toxicity was higher with CAPIRI than CAPIRI-Bev:82%vs 58.6%.Partial response rates were 29.4%and 34.5%,and tumor control rates were 70.6%and 75.9%,respectively.No complete responses were observed.The median progression-free survival was 11.4 mo and 12.8 mo for CAPIRI and CAPIRI-Bev,respectively.The median overall survival for CAPIRI was 15 mo(458 d) and for CAPIRI-Bev 24 mo(733 d) .These differences were not statistically different.In the CAPIRI-Bev,group,two patients underwent a full secondary tumor resection after treatment,whereas in the CAPIRI group no cases underwent this procedure. CONCLUSION:Both regimens were well tolerated and offered effective tumor growth control in this outpatient setting.Severe gastrointestinal toxicities and thromboembolic events were rare and if observed were never fatal. | Markus Moehler Martin F Sprinzl Murad Abdelfattah Carl C Schimanski Bernd Adami Werner Godderz Klaus Majer Dimitri Flieger Andreas Teufel Juergen Siebler Thomas Hoehler Peter R Galle Stephan Kanzler | 2009 | World Journal of Gastroenterology2009，15，4： | 10 |
| 7 | Hepatocellular carcinoma in patients with autoimmune hepatitis显示文摘AIM: To evaluate and confirm the low incidence of hepatocellular carcinoma (HCC) in patients with autoimmune hepatitis (AIH). At present only very few cases of HCC in patients with AIH and definite exclusion of chronic viral hepatitis have been published, suggesting that HCC due to AIH is rare. METHODS: In order to further investigate the incidence of HCC in patients with AIH, we reviewed our large cohort of 278 patients with AIH. RESULTS: Eighty-nine patients (32%) were diagnosed with liver cirrhosis, a preneoplastic condition for HCC. We studied a total of 431 patient years of cirrhosis in these patients, an average 4.8 years per patient. During this period none of the patients of our own study cohort developed HCC. However, three patients with HCC due to AIH associated liver cirrhosis were referred to our department for further treatment of HCC. In all three patients chronic viral hepatitis was excluded. CONCLUSION: We conclude that HCC may under rare circumstances develop due to chronic AIH dependent liver cirrhosis. Compared to other causes of liver cirrhosis such as chronic viral hepatitis, alcohol, or hemochromatosis, the incidence of HCC is significantly lower. Pathophysiological differences between AIH and chronic viral hepatitis responsible for differences in the incidence of HCC are yet to be further characterized and may lead to new therapeutic concepts in prevention and treatment of liver cancer. | Andreas Teufel Arndt Weinmann Catherine Centner Anja Piendl Ansgar W Lohse Peter R Galle Stephan Kanzler | 2009 | World Journal of Gastroenterology2009，15，5： | 5 |
| 8 | Late biliary complications in human alveolar echinococcosis are associated with high mortality显示文摘AIM:To evaluate the incidence of late biliary complications in non-resectable alveolar echinococcosis(AE)under long-term chemotherapy with benzimidazoles.METHODS:Retrospective analysis of AE patients with biliary complications occurring more than three years after the diagnosis of AE.We compared characteristics of patients with and without biliary complications,analyzed potential risk factor for biliary complications and performed survival analyses.RESULTS:Ninety four of 148 patients with AE in Zurich had non-resectable AE requiring long-term benzimidazole chemotherapy,of which 26(28%)patients developed late biliary complications.These patients had a median age of 55.5(35.5-65)years at diagnosis of AE and developed biliary complications after 15(8.25-19)years of chemotherapy.The most common biliary complications during long-term chemotherapy were late-onset cholangitis(n=14),sclerosing cholangitis-like lesions(n=8),hepatolithiasis(n=5),affection of the common bile duct(n=7)and secondary biliary cirrhosis(n=7).Thirteen of the 26 patients had undergone surgery(including 12 resections)before chemotherapy.Previous surgery was a risk factor for late biliary complications in linear regression analysis(P=0.012).CONCLUSION:Late biliary complications can be observed in nearly one third of patients with non-resectable AE,with previous surgery being a potential risk factor.After the occurrence of late biliary complications,the median survival is only 3 years,suggesting that late biliary complications indicate a poor prognostic outcome. | Pascal Frei Benjamin Misselwitz Meher K Prakash Alain M Schoepfer Bettina M Prinz Vavricka Beat Müllhaupt Michael Fried Kuno Lehmann Rudolf W Ammann Stephan R Vavricka | 2014 | World Journal of Gastroenterology2014，20，19： | 5 |
| 9 | Immunogenetic phenotypes in inflammatory bowel disease显示文摘当前接受的 etiopathogenic 假设建议长期的肠的发炎和煽动性的肠疾病(IBD ) 的相关全身的表明特征由于对居民钠的过分好攻击或病理学的有免疫力的回答细菌的成分。预先安排的因素是粘膜免疫者回答或障碍功能的基因 dysregulation,与环境刺激触发的发作。这些因素和他们的相互作用可以也是疾病显型和疾病前进的重要决定因素。免疫的出现基因显型把支持借给不同免疫者处理的危险性基因调整的建议假设,由钠抗原开车,表示了接着在 IBD 影响临床的显型的同样特定的有免疫力的显型病人。 | Maria C Dubinsky Kent Taylor Stephan R Targan Jerome I Rotter | 2006 | World Journal of Gastroenterology2006，12，23： | 4 |
| 10 | A case of steroid-dependent myeloid granulocytic sarcoma masquerading as Crohn's disease显示文摘Small bowel tumors and Crohn's disease are common causes of small bowel obstruction.Early stage neoplasms can easily be mistaken for Crohn's disease.Therefore,thorough work-ups including imaging studies and endoscopic evaluation with biopsies are critical for accurate diagnosis.Here we report a case of an otherwise healthy female with progressive onset of multiple,recurrent obstructive symptoms secondary to terminal ileal narrowing who was referred for management of steroid-dependent Crohn's disease.After thorough evaluation,the diagnosis was revised to myeloid granulocytic sarcoma involving the terminal ileum.In this case,a delay in diagnosis can be detrimental for prognosis,as myeloid granulocytic sarcoma is highly predictive of underlying acute myeloid leukemia and needs urgent referral for chemotherapy and/or resection. | Lola Y Kwan Stephan R Targan David Q Shih | 2011 | World Journal of Gastroenterology2011，17，19： | 3 |
| 11 | Antimicrobial peptides and the gut microbiome in inflammatory bowel disease显示文摘Antimicrobial peptides(AMP)are highly diverse and dynamic molecules that are expressed by specific intestinal epithelial cells,Paneth cells,as well as immune cells in the gastrointestinal(GI)tract.They play critical roles in maintaining tolerance to gut microbiota and protecting against enteric infections.Given that disruptions in tolerance to commensal microbiota and loss of barrier function play major roles in the pathogenesis of inflammatory bowel disease(IBD)and converge on the function of AMP,the significance of AMP as potential biomarkers and novel therapeutic targets in IBD have been increasingly recognized in recent years.In this frontier article,we discuss the function and mechanisms of AMP in the GI tract,examine the interaction of AMP with the gut microbiome,explore the role of AMP in the pathogenesis of IBD,and review translational applications of AMP in patients with IBD. | John Gubatan Derek R Holman Christopher J Puntasecca Danielle Polevoi Samuel JS Rubin Stephan Rogalla | 2021 | World Journal of Gastroenterology2021，27，43： | 3 |
| 12 | Outcome of cytomegalovirus infections in patients with inflammatory bowel disease显示文摘 | Konstantinos A Papadakis Jim K Tung Scott W Binder Lori Y Kam Maria T Abreu Stephan R Targan Eric A Vasiliauskas | 2001 | The American Journal of Gastroenterology2001，，7： | 2 |
| 13 | Glutathione Peroxidase 4 Senses and Translates Oxidative Stress into 12/15-Lipoxygenase Dependent- and AIF-Mediated Cell Death显示文摘 | Alexander Seiler Manuela Schneider Heidi F?rster Stephan Roth Eva K. Wirth Carsten Culmsee Nikolaus Plesnila Elisabeth Kremmer Olof R?dmark Wolfgang Wurst Georg W. Bornkamm Ulrich Schweizer Marcus Conrad | 2008 | Cell Metabolism2008，，3： | 2 |
| 14 | Genetic association of autoimmune hepatitis and human leucocyte antigen in German patients显示文摘AIM: To report on our large German collective and updated data of 142 patients with autoimmune hepatitis (AIH) type 1. METHODS: Key investigations performed were liver biopsy, serum autoantibodies as well as serum markers such as IgG and elevated transaminases. Antinuclear antigen (ANA) and smooth muscle antigen (SMA) autoantibodies characterized type 1 AIH. Type 3 (AIH) was solely characterized by the occurrence of soluble liver antigen/liver-pancreas antigen (SLA/LP) autoantibodies either with or without ANA or SMA autoantibodies. RESULTS: Most prevalent HLAs were A2 (68 patients, 48%), B8 (63 patients, 44%), C7 (90 patients, 63%), DR3 (49 patients, 38%), DR4 (49 patients, 38%) and DQ2 (42 patients, 30%). Compared to the Italian and North American patients, we found fewer patients with a DQ2 subtype. Furthermore, the B8-DR3-DQ2 human leucocyte antigen (HLA) was also less prominent compared to the North American patients. However, prevalences of B8, DR3, DR4, DR7, DR11 and DR13 were comparable to the Italian and North American patients. Furthermore, we report on an additional subgroup of patients with SLA/LP positive AIH. Generally, in this subgroup of patients the same HLA subtypes were favoured as the AIH type 1. CONCLUSION: Although HLA subtypes were comparable between these three collectives, the German patients were distinct from the Italian and North American patients with respect to DQ2 and from the North American patients with respect to B8-DR3-DQ2HLA. A clinical correlation, e.g. difference in severity or treatability of AIH type 1, has yet to be determined. | Andreas Teufel Markus Wrns Arndt Weinmann Catherine Centner Anja Piendl Ansgar W Lohse Peter R Galle Stephan Kanzler | 2006 | World Journal of Gastroenterology2006，12，34： | 2 |
| 15 | Quantification of veterinary antibiotics (sulfonamides and trimethoprim) in animal manure by liquid chromatography–mass spectrometry显示文摘 | Michel Y Haller Stephan R Müller Christa S McArdell Alfredo C Alder Marc J.-F Suter | 2002 | Journal of Chromatography A2002，，1： | 2 |
| 16 | The design and fabrication of a 40 cm diameter,SiC coated,normal incidence telescope and spectrometer显示文摘 | Stephan R McCandliss Mel E Martinez Paul D Feldman | 1994 | SPIE1994，2011，： | 1 |
| 17 | Microbiological, epidemiological and food safety aspects of Enterobacter sakazakii 显示文摘 | Lehner A Stephan R | 2004 | Food Pro2004，67，12： | 1 |
| 18 | Absolute atomic oxygen density profiles in the discharge core of a microscale atmospheric pressure plasma jet显示文摘 | Nikolas K Karl N Stephan R | 2008 | Applied Physics Letters2008，93，13： | 1 |
| 19 | CdTe and CdZnTe detectors behavior in X-ray computed tomography conditions 显示文摘 | Stephane R Francis G Michel G | 2000 | Nuclear Instruments and Methods in Physics Research Section A: Accelerators Spectrometers Detectors and Associated Equipment2000，442，13： | 1 |
| 20 | Novel antiangiogenic effects of the bisphosphonate compound zoledronic acid 显示文摘 | KARINE B STEPHAN R | 2002 | J Pharmacol Exp Ther2002，302，： | 1 |
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