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| 1 | The ReaxFF reactive force-field: development, applications and future directions显示文摘The reactive force-field(ReaxFF)interatomic potential is a powerful computational tool for exploring,developing and optimizing material properties.Methods based on the principles of quantum mechanics(QM),while offering valuable theoretical guidance at the electronic level,are often too computationally intense for simulations that consider the full dynamic evolution of a system.Alternatively,empirical interatomic potentials that are based on classical principles require significantly fewer computational resources,which enables simulations to better describe dynamic processes over longer timeframes and on larger scales.Such methods,however,typically require a predefined connectivity between atoms,precluding simulations that involve reactive events.The ReaxFF method was developed to help bridge this gap.Approaching the gap from the classical side,ReaxFF casts the empirical interatomic potential within a bond-order formalism,thus implicitly describing chemical bonding without expensive QM calculations.This article provides an overview of the development,application,and future directions of the ReaxFF method. | Thomas P Senftle Sungwook Hong Md Mahbubul Islam Sudhir B Kylasa Yuanxia Zheng Yun Kyung Shin Chad Junkermeier Roman Engel-Herbert Michael J Janik Hasan Metin Aktulga Toon Verstraelen Ananth Grama Adri CT van Duin | 2016 | npj Computational Materials2016，，1： | 22 |
| 2 | Erythromycin stearate as prokinetic agent in postvagotomy gastroparesis显示文摘 | Harold Mozwecz MD Dan Pavel MD David Pitrak MD Pilar Orellana MD Paul K. Schlesinger MD Dr. Thomas J. Layden MD | 1990 | Digestive Diseases and Sciences1990，，7： | 5 |
| 3 | 7th Edition of the AJCC Cancer Staging Manual: Esophagus and Esophagogastric Junction显示文摘 | Thomas W. Rice MD Eugene H. Blackstone MD Valerie W. Rusch MD | 2010 | Annals of Surgical Oncology2010，，7： | 4 |
| 4 | Insect(black soldier fly larvae) oil as a potential substitute for fish or soy oil in the fish meal-based diet of juvenile rainbow trout(Oncorhynchus mykiss)显示文摘Alternative sources of fish oil(FO)are one of the major problems in aquaculture;therefore,the goal of the present study was to examine insect(black soldier fly larvae)oil(BSLO)as a potential replacer of fish/s oy oil in juvenile rainbow trout(initial average weight of 32±0.15 g)feed.Four diets were formulated wherein FO(control diet)was completely replaced with either soybean oil(SO)or BSLO,and an additional BSLO-based diet supplemented with 1.5%bile acid(BSLO+BA)were fed to the fish for 10 weeks.Growth performance of the BSLO fed group was similar(P>0.05)to that of the FO and SO fed groups,howeve r,the fish fed BSLO+BA diet registered the lowest growth(P<0.05).Oil sources did not(P>0.05)affect the major nutrient content of whole-body,however,the fatty acid composition of the muscle and liver was influenced(P<0.05),with the highest 14:0,16:0,and total saturated fatty acid detected in BSLO or BSLO+BA fed trout compared to the others(P<0.001).No significant diffe rences were observed in eicosapentaenoic acid+docosahexaenoic acid(EPA+DHA)or total n-3 polyunsaturated fatty acid(PUFA)content in muscle among the groups,whereas,the highest EPA:DHA and n-3:n-6 ratios were detected in the FO group.Gene expression for fatty acid binding protein(fabp),fatty acid synthase(fas),and△5 desaturase in the liver was lower in FO(P<0.05),while BSLO+BA registered the highest△6 expression(P=0.006).Supplementation of BA in the BSLO diet increased superoxide dismutase(SOD)and catalase(CAT)activities compared to the other groups(P<0.05).In conclusion,BSLO could serve as a substitute for FO and SO in rainbow trout diet without negatively impacting growth performance,whole-body composition and nutrient retention,and modulate the expression of fatty acid metabolism-related genes in rainbow trout. | Femi J.Fawole Shyam N.Labh Md Sakhawat Hossain Ken Overturf Brian C.Small Thomas L.Welker Ronald W.Hardy Vikas Kumar | 2021 | Animal Nutrition2021，，4： | 2 |
| 5 | Hepatic Resection for Metastatic Melanoma: Distinct Patterns of Recurrence and Prognosis for Ocular Versus Cutaneous Disease显示文摘 | Timothy M. Pawlik MD MPH Daria Zorzi MD Eddie K. Abdalla MD Bryan M. Clary MD Jeffrey E. Gershenwald MD Merrick I. Ross MD Thomas A. Aloia MD Steven A. Curley MD Luis H. Camacho MD MPH Lorenzo Capussotti MD Dominique Elias MD Jean-Nicolas Vauthey MD | 2006 | Annals of Surgical Oncology2006，，5： | 2 |
| 6 | Does Complete Resection of Melanoma Metastatic to Solid Intra-Abdominal Organs Improve Survival?显示文摘 | Thomas F. Wood MD L. Andrew DiFronzo MD D. Michael Rose MD Philip I. Haigh MD FRCSC Stacey L. Stern MS Leslie Wanek DrPH Richard Essner MD FACS Donald L. Morton MD FACS | 2001 | Annals of Surgical Oncology2001，，8： | 2 |
| 7 | The Use of Simvastatin for the Prevention of Gallstones in the Lithogenic Prairie Dog Model显示文摘 | Kurt G Davis MD Thomas M Wertin MD John P Schriver MD FACS | 2003 | Obesity Surgery2003，，6： | 2 |
| 8 | A Phase II Trial of Neoadjuvant Chemoradiation and Local Excision for T2N0 Rectal Cancer: Preliminary Results of the ACOSOG Z6041 Trial显示文摘 | Julio Garcia-Aguilar MD PhD Qian Shi PhD Charles R. Thomas MD Emily Chan MD PhD Peter Cataldo MD Jorge Marcet MD David Medich MD Alessio Pigazzi MD Samuel Oommen MD Mitchell C. Posner MD | 2012 | Annals of Surgical Oncology2012，，2： | 2 |
| 9 | 7th Edition of the AJCC Cancer Staging Manual: Esophagus and Esophagogastric Junction显示文摘 | Thomas W. Rice MD Eugene H. Blackstone MD Valerie W. Rusch MD | 2010 | Annals of Surgical Oncology2010，，7： | 2 |
| 10 | Proximal Humerus Reconstructions for Tumors显示文摘 | Benjamin K. Potter MD Sheila C. Adams MD J. David Pitcher MD Theodore I. Malinin MD H. Thomas Temple MD | 2009 | Clinical Orthopaedics and Related Research2009，，4： | 2 |
| 11 | MAPK pathways activate and phosphorylate the osteoblast - specific transcription factor, Cbfa1 显示文摘 | Xiao G Jiang D Thomas P Benson MD | 2000 | J BiolChem2000，275，6： | 1 |
| 12 | Future directions for allergen immunotherapy显示文摘 | Thomas AE Platts-Mills MD Geoffrey A | 1998 | J Allergy Clin Immunol1998，102，： | 1 |
| 13 | Small molecule ago-allosteric modulators of the human glucagon-like peptide-1 ( hGLP-1 ) receptor显示文摘 | Teng M Johnson MD Thomas C | 2007 | Bioorg Med Chem Lett2007，17，19： | 1 |
| 14 | The multiple facets of mTOR in immunity显示文摘 | Thomas W Siiemann MD | 2009 | Trends Immunol2009，30，5： | 1 |
| 15 | Case-based teaching and learning experience显示文摘 | Thomas MD O'Connor FW Albert ML | 2001 | Issues Ment Health Nurs2001，22，5： | 1 |
| 16 | Antihyperglycemic activity of novel substituted 3H -1,2,3,5-oxathiadiazole 2- oxides 显示文摘 | Thomas RA Terence MD | 1992 | J Med Chem1992，35，7： | 1 |
| 17 | Venous thromboembolism in the ICU and reversal of bleeding on anticoagulants显示文摘 | Thomas G Deloughtry MD | 2005 | J Crit Care Clin2005，21，： | 1 |
| 18 | Cholinergic anti-inflammatory pathway inhibition of tumor necrosis factor during ischemia reperfusion显示文摘 | Thomas R Bernik MD Steven G | 2002 | J Vasc Surg2002，36，6： | 1 |
| 19 | Improved survival in a replantation model containing ischemic muscle显示文摘 | Matthew J Concannon MD Thomas W | 1991 | Microsurgery1991，12，1： | 1 |
| 20 | A Controlled Trial of a Critical Pathway for Treatment of Community-Acquired Pneumonia 显示文摘 | Thomas T Manle MD Catherine Y Lau | 2000 | The Journal of the American Medical Association2000，283，20： | 1 |
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