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| 1 | 超临界流体染色技术的过去、现在和将来(一)显示文摘介绍了超临界CO2 染色技术在世界范围的发展过程及其优于水染色的特点。阐述了超临界CO2 对纤维性能的影响 ,诸如润滑效果、CO2 吸附、结晶、收缩和热机械性能 ,超临界CO2 对纤维的玻璃化温度和有效温度以及对纤维损伤的影响。另一重要问题是在超临界CO2 中纤维与染料之间的平衡分布和影响染料溶解性的参数。文中给出了涤纶纤维的染色步骤、设备和最佳工艺参数 ,然而天然纤维的染色仍是一个问题。通过浸渍溶胀剂和交联剂 ,或在染色前对纤维改性、添加极性共溶剂 ,可以提高分散染料的染色性 ,所有这些方法增加了工艺步骤和设备清洗 ,若使用有机溶剂则将大大提高机器成本 ,采用活性分散染料可以避免这种情况。含乙烯砜基团的染料主要适宜于羊毛和聚酰胺纤维的超临界CO2染色 ,而对于纤维素纤维迄今尚未开发可行的解决方法。预计在不久的将来建造工业化规模的染色设备 ,努力实现超临界CO2 染色技术的经济效益。 | Elke Bach Ernst Cleve Eckhard Schollmeyer | 2003 | 印染2003，29，3： | 32 |
| 2 | Thulium:YAG VapoEnucleation of the prostate in large glands: a prospective comparison using 70- and 120-W 2-μm lasers显示文摘这研究比较了 70-w 和 120-w 2-µ 的功效; m 铥: 为有良性的 prostatic 阻塞(BPO ) 的病人的前列腺(ThuVEP ) 的钇铝柘榴石 VapoEnucleation。有征兆的 BPO 和 prostatic 增大的 84 个病人的未来的分析(≥ 60 ml ) 非随机经历了 70-w (n=44 ) 或 120-w ThuVEP (n=40 ) 的人,被执行。耐心的人口分布和 perioperative 和 12 月的后续数据被分析。吝啬的前列腺体积是 79.90 ± 27.49 在谁的病人的 ml 收到了 70-w ThuVEP,它是不到在里面收到了 120-w ThuVEP 的那些(88.53 ± 25.10;P=0.033 ) 。吝啬的 enucleation (resected 重量 / 激光时间, 2.16 ± 1.21 g min −1 对 1.23 ± 0.60 g min −1 ;P=0.013 ) ,操作效率(resected 重量 / 总数操作时间, 0.76 ± 0.35 g min −1 对 0.42 ± 0.27 g min −1 ;P=0.000 ) 并且 resected 织物的百分比(66.93 % ± 22.79 %对 45.41 % ± 23.33 %P=0.000 ) 与与 70-w ThuVEP 相比的 120-w 治疗是更高的。一个病人(1.2 %彻底的病人)( 在 120-w 组) 手术后地要求了输血。61 个病人(73 %) 为在 12 月的后续时间点的评论是可得到的。生活( QoL )的质量,国际前列腺症状分数( IPSS ),最大的尿流动率( Q 最大), postvoiding 剩余尿( PVR )和前列腺体积在治疗以后显著地改善了( P≤ ; 0.035 )并且不在与不同设备(70-w)和 120-w )对待的那些之间是显著地不同的。中部的前列腺体积减小是 81.70 %并且 82.19 %与 70-w 和 120-w ThuVEP,分别地。复杂并发症的发生是低的并且没在与不同设备对待的组之间不同。二个病人(2.4 %)( 一个每组) 在后续有膀胱颈挛缩。ThuVEP 是为征兆的 BPO 的治疗的一个安全、有效的过程。复杂并发症的发生与两台设备是低的。120-w 铥: 钇铝柘榴石设备关于 resected 织物和 enucleation/operation 效率的百分比提高 ThuVEP 的有效性。 | Christopher Netsch Thorsten Bach Thomas RW Herrmann Andreas J Gross | 2012 | Asian Journal of Andrology2012，14，2： | 18 |
| 3 | Ileal pouch surgery for ulcerative colitis显示文摘Ulcerative colitis (UC) is a relapsing and remitting disease characterised by chronic mucosal and submucosal inflammation of the colon and rectum. Treatment may vary depending upon the extent and severity of inflammation. Broadly speaking medical treatments aim to induce and then maintain remission. Surgery is indicated for inflammatory disease that is refractory to medical treatment or in cases of neoplastic transformation. Approximately 25% of patients with UC ultimately require colectomy. Ileal pouch-anal anastomosis (IPAA) has become the standard of care for patients with ulcerative colitis who ultimately require colectomy. This review will examine indications for IPAA, patient selection, technical aspects of surgery, management of complications and long term outcome following this procedure. | Simon P Bach Neil J Mortensen | 2007 | World Journal of Gastroenterology2007，13，24： | 10 |
| 4 | 根治性手术与短程放疗后行经肛门内镜显微手术(TEM)保留器官治疗早期直肠癌(TREC):一项随机、开放标签的可行性研究显示文摘背景:基于全直肠系膜切除(total mesorectal excision,TME)的根治性手术可能不是早期直肠癌的最佳一线治疗。选择性TME保留器官的策略可以减少治疗的不良反应,又不会显著影响肿瘤结果。该临床随机研究通过与TME比较,探讨器官保留策略的可行性。方法:TREC是一项在英国21个三级转诊中心进行的随机、开放标签的可行性研究。符合条件的受试者年龄≥18岁,分期为T2期或更早,最大直径不超过30 mm;排除淋巴结受累或转移的患者。患者按计算机随机分配(1:1)接受短程放疗保留器官,8~10周后行经肛门内镜显微手术(transanal endo⁃scopic microsurgery,TEM)或TME术。当TEM标本组织病理学特征提示局部复发风险增加时,患者被考虑计划早期转为TME。一项非随机前瞻性登记收集了认为不适合随机化的患者,因为每例患者都是按临床指征治疗的。主要终点为12、18和24个月的累积随机分组。次要结局为应用欧洲癌症研究与治疗组织(EORTC)QLQ C30和CR29量表对意向治疗人群的安全性、有效性和健康相关生活质量进行了评价。该研究已在ISRCTN注册中心注册,ISRCTN14422743。 | 佟伟华 BACH S P GILBERT A BROCK K | 2021 | 结直肠肛门外科2021，27，3： | 9 |
| 5 | Cerebral processing of auditory stimuli in patients with irritable bowel syndrome显示文摘瞄准:用大脑决定功能的磁性的回声成像(fMRI ) 非内脏的刺激的服的处理是否在急躁的肠症候群(IBS ) 被改变病人与健康题目相比。围绕针的内脏躯体集中机制,并且识别心理因素的可能的影响,我们使用了听觉的刺激刺激在他们的感情的质量不同。方法:在 8 个 IBS 病人和 8 控制, fMRI 大小用不同感情的质量(钟声,讨厌的偷看(2000 Hz ) ,中立的词,和感情的词的愉快的声音) 的 4 听觉的刺激的一个块图案被执行。坡度回响 T2 * 加权的顺序被用于功能的扫描。统计地图用一般线性模型被构造。结果:到感情的听觉的刺激,,相对控制的 IBS 病人在感情的处理区域的一个更大的变化与更强壮的释放反应了反应模式,在控制不同,没在令人烦恼或愉快的声音之间区分。到中立听觉的刺激,由对比,仅仅 IBS 病人与大重要激活反应了。结论:到在感情的处理刺激的区域的听觉的刺激的改变的服的反应模式建议在 IBS 的改变的感觉处理不能为内脏的感觉是特定的,但是可能在感情的敏感和感情方面的反应反映概括变化,可能与经常在 IBS 病人发现的心理 comorbidity 联系了。 | Viola Andresen Alexander Poellinger Chedwa Tsrouya Dominik Bach Albrecht Stroh Annette Foerschler Petra Georgiewa Marco Schmidtmann Ivo R van der Voort Peter Kobelt Claus Zimmer Bertram Wiedenmann Burghard F Klapp Hubert Monnikes | 2006 | World Journal of Gastroenterology2006，12，11： | 8 |
| 6 | Axial length development in children显示文摘AIM: To study ocular axial lengths in pediatric subjects without intraocular pathology. METHODS: An Institutional Review Board-approved consecutive retrospective chart review of axial lengths measured in pediatric subjects who underwent examination under anesthesia due to positive family history of retinoblastoma or other inherited ocular disease. Only subjects without any intraocular pathology in either eye were included. Subjects were stratified into age groups. An axial length model using a logarithmic regression algorithm was calculated.RESULTS: Data from 330 eyes of 165 subjects were included in the study. The mean age at the time of examination was 30.62(SD 18.04)mo. The steepest increase in axial length was present during the first 10 mo of life. After 36 mo, there was no statistically significant axial length growth. CONCLUSION: This study presents the biggest series of pediatric axial lengths in healthy eyes. The axial length model developed with these data may assist in the diagnosis and management of a wide variety of pediatric ophthalmic diseases. | Austin Bach Victor M.Villegas Aaron S.Gold Wei Shi Timothy G.Murray | 2019 | International Journal of Ophthalmology(English edition)2019，12，5： | 6 |
| 7 | 溶液法制备杂化钙钛矿薄膜过程中核化与晶粒生长动力学控制(英文)显示文摘如何利用溶液法制备高质量、高效率的有机-无机杂化钙钛矿薄膜光电器件,取决于对该体系的核化和晶体生长机理的深入研究.尽管用很多方法可以制备出高性能的钙钛矿薄膜,到目前为止,还缺乏一个准确且统一的模型,去解释钙钛矿晶体是如何从溶液中析出生长的过程.本文通过对晶体核化和生长动力学的详细研究,提出了有机-无机杂化钙钛矿薄膜材料的形成机制.通过精准控制钙钛矿晶粒生长的条件,异质晶核之间的距离能够在几百纳米到几百微米之间调控.我们还发现在晶核周围直径超过100微米范围,聚集着取向高度一致的晶体团簇.但是这些晶体团簇的尺寸大小,与提高钙钛矿光电器件的性能并没有什么直接的对应关系;钙钛矿材料微观结构的形成机理,兼有经典和非经典晶体生长的特征.因此对钙钛矿薄膜生长的深入研究,将有助于进一步控制杂化钙钛矿薄膜的微观结构. | Alexander R.Pascoe 顾钦颖 Mathias U.Rothmann 李蔚 张豫鹏 Andrew D.Scully 林雄峰 Leone Spiccia Udo Bach 程一兵 | 2017 | Science China Materials2017，60，7： | 5 |
| 8 | 东南亚断裂构造的演化(英文)显示文摘本研究项目是采用诸如地质学解释、影像判读和地球物理探测等多种方法相结合进行的。在所得结果 的基础上参考了越南国内外同行的一些资料编制了东南亚、越南及邻区的断裂构造图,其比例尺分别为1∶4百万 和1∶1百万。分析所得结果显示出东南亚断裂构造演化的下列情况: 1)在现今地质结构方面 东南亚是欧亚岩石圈板块的东南部分,由一条消减带围绕,这条消减带的伸展从 Myanmer开始,通过Nicobar,JavaTimor直到东菲律宾。东南亚被SongHong(即红河)断裂,ThreePagodas断裂 和Hainam Natuna断裂等2级断裂系统分成3个微板块。 2)在早新生代,东南亚是分为5个微板块的。它们的分界断裂中有2个一级断裂(中央东海扩张带和Lupar Kuching消减带)和3个二级断裂(即上述3个)。 3)上述绝大多数二和三级断裂从晚新生代起活化且继承了从早新生代即已发生和发展了的二、三级断裂,但 在某些条件下,运动方向却完全变成了相反,尤其是走滑运动的方向。我们的研究结果表明:在这一地区内,盆地、 隆起、岩浆侵入、褶皱和局部断裂等构造的形成都取决于这些沿着一、二级走滑断裂的微板块运动。 | 高庭朝 阮友宣 黎文勇 范南雄 Mai Xuan Bach Thai Anh Tuan | 2005 | 大地测量与地球动力学2005，25，1： | 5 |
| 9 | Xanthine oxidase inhibitors from Archidendron clypearia(Jack.) I.C. Nielsen: Results from systematic screening of Vietnamese medicinal plants显示文摘Objective: To screen Vietnamese medicinal plants for xanthine oxidase(XO) inhibitory activity and to isolate XO inhibitor(s) from the most active plant. Methods: The plants materials were extracted by methanol. The active plant materials were fractionated using different organic solvents, including n-hexane, ethyl acetate, and n-butanol. Bioassay-guided fractionation and column chromatography were used to isolate compounds. The compounds structures were elucidated by analysis of spectroscopic data, including IR, MS, and NMR. Results: Three hundreds and eleven methanol extracts(CME) belonging to 301 Vietnamese herbs were screened for XO inhibitory activity. Among these plants, 57 extracts displayed XO inhibitory activity at 100 μg/m L with inhibition rates of over 50%. The extracts of Archidendron clypearia, Smilax poilanei, Linociera ramiflora and Passiflora foetida exhibited the greatest potency with IC_(50) values below 30 μg/m L. Chemical study performed on the extract of Archidendron clypearia resulted in the isolation of six compounds, including 1-octacosanol, docosenoic acid, daucosterol, methyl gallate, quercitrin and(-)-7-O-galloyltricetiflavan. The compound(-)-7-O-galloyltricetiflavan showed the most potent XO inhibitory activity with an IC_(50) value of 25.5 μmol/L. Conclusions: From this investigation, four Vietnamese medicinal plants were identified to have XO inhibitory effects with IC_(50) values of the methanol extracts below 30 μg/m L. Compound(-)-7-O-galloyltricetiflavan was identified as an XO inhibitor from Archidendron clypearia with IC_(50) value of 25.5 μmol/L. | Nguyen Thuy Duong Pham Duc Vinh Phuong Thien Thuong Nguyen Thi Hoai Le Nguyen Thanh Tran The Bach Nguyen Hai Nam Nguyen Hoang Anh | 2017 | Asian Pacific Journal of Tropical Medicine2017，10，6： | 5 |
| 10 | Hyperinsulinemic hypoglycemia due to adult nesidioblastosis in insulin-dependent diabetes显示文摘In neonates, persistent hyperinsulinemic hypoglycemia (PHH) is associated with nesidioblastosis. In adults, PHH is usually caused by solitary benign insulinomas. We report on an adult patient who suffered from insulin-de- pendent diabetes mellitus, and subsequently developed PHH caused by diffuse nesidioblastosis. Mutations of the MEN1 and Mody 2/3 genes were ruled out. Preoperative diagnostic procedures, the histopathological criteria and the surgical treatment options of adult nesidioblastosis are discussed. So far only one similar case of adult nesidioblastosis subsequent to diabetes mellitus Ⅱ has been reported in the literature. In case of conversion of diabetes into hyperinsulinemic hypoglycemia syndrome, nesidioblastosis in addition to insulinoma should be con- sidered. | A Raffel M Anlauf SB Hosch M Krausch T Henopp J Bauersfeld R Klofat D Bach CF Eisenberger G Klppel WT Knoefel | 2006 | World Journal of Gastroenterology2006，12，44： | 3 |
| 11 | PI 3-kinase pathway is responsible for antiapoptotic effects of atrial natriuretic peptide in rat liver transplantation显示文摘AIM:To investigate the in vivo effect of atrial natriureticpeptide(ANP)and its signaling pathway during ortho-topic rat liver transplantation.METHODS:Rats were infused with NaCl,ANP(5 μg/kg),wortmannin(WM,16 μg/kg),or a combination ofboth for 20 min.Livers were stored in UW solution(4°C)for 24 h,transplanted and reperfused.Apoptosis wasexamined by caspase-3 activity and TUNEL staining.Phosphorylation of Akt and Bad was visualized by West-ern blotting and phospho-Akt-localization by confocalmicroscopy.RESULTS:ANP-pretreatment decreased caspase-3activity and TUNEL-positive cells after cold ischemia,indicating antiapoptotic effects of ANP in vivo.The an-tiapoptotic signaling of ANP was most likely caused byphosphorylation of Akt and Bad,since pretreatment withPI 3-kinase inhibitor WM abrogated the ANP-inducedreduction of caspase-3 activity.Interestingly,analysis ofliver tissue by confocal microscopy showed translocationof phosphorylated Akt to the plasma membrane of hepa-tocytes evoked by ANP.CONCLUSION:ANP activates the PI-3-kinase pathwayin the liver in vivo leading to phosphorylation of Bad, an event triggering antiapoptotic signaling cascade inischemic liver. | Uwe Grutzner Melanie Keller Michael Bach Alexandra K Kiemer Herbert Meissner Manfred Bilzer Stefan Zahler Alexander L Gerbes Angelika M Vollmar | 2006 | World Journal of Gastroenterology2006，12，7： | 3 |
| 12 | GISAID’s Role in Pandemic Response显示文摘GISAID is a global data science initiative and the primary source of genomic and associated metadata of all influenza viruses,Respiratory Syncytial Virus(RSV)and severe acute respiratory syndrome coronavirus 2(SARS-CoV-2),the pandemic coronavirus causing coronavirus disease 2019(COVID-19).GISAID’s publicly accessible data sharing platform enables collaboration of over 42,000 participating researchers from 198 nations and data generators from over 3,500 institutions across the globe.Since the first wholegenome sequences were made available by China CDC through GISAID on January 10. | Shruti Khare Céline Gurry Lucas Freitas Mark B Schultz Gunter Bach Amadou Diallo Nancy Akite Joses Ho Raphael TC Lee Winston Yeo GISAID Core Curation Team Sebastian Maurer-Stroh | 2021 | China CDC weekly2021，3，49： | 3 |
| 13 | 轿车传动系中新型减振装置的研究显示文摘ZFSachs公司一直在探索新型的减振装置,它将在成本和功能上都优于现有的系统。已知的各种解决方法可系统地排列成一棵“方法树”,因此所采用的新系统将从该树的间隙中寻找。例如,在各类减振装置中,扭转减振器与质量和刚度耦合。而一种新的解决方法是将减振器和速度的自由度耦合。应该对各种解决方法的潜力做出评价。根据Salomon原理对转速适应型减振器的发展进行评价则是一个例子。根据拉格朗奇方程建立的运动方程和简单而高效的仿真,就能获得系统的重要特性。对离合器中第三质量不同的连接方式作了系统分析。并对摩擦连接的附加质量和持续打滑离合器进行了计算和试验。采用高效的计算方法和系统分析程序发现和解决问题将显著降低开发成本。 | Hartmut Bach | 2004 | 传动技术2004，18，2： | 3 |
| 14 | Effect of dietary vitamin C on gastric cancer risk in the Korean population显示文摘AIM: To investigate the effects of dietary vitamin C and foods containing vitamin C on gastric cancer risk.METHODS: Our study included 830 control subjects and 415 patients. Data regarding demographics, medical history, and lifestyle, including dietary and nutrient intake, were collected using reliable selfadministered questionnaires. Dietary intake information was collected from the participants using a food frequency questionnaire that has been previously reported as reliable and valid. A rapid urease test and a histological evaluation were used to determine the presence of Helicobacter pylori(H. pylori) infection. Twenty-three vitamin C-contributing foods were selected, representing over 80% of the cumulative vitamin C contribution. RESULTS: In analyses adjusted for first-degree family history of gastric cancer, education level, job, household income, smoking status, and regular exercise, an inverseassociation between vitamin C intake and gastric cancer risk was observed for the highest(≥ 120.67 mg/d) vs the lowest(< 80.14 mg/d) intake category [OR(95%CI): 0.64(0.46-0.88)], with a significant trend across the three intake categories(P = 0.007). No protective effect of vitamin C was detected after stratification by gender. No effect of vitamin C intake on the gastric cancer incidence was found in either men or women infected with H. pylori. Vitamin C-contributing foods, including cabbage [0.45(0.32-0.63), 0.50(0.34-0.75), 0.45(0.25-0.81)], strawberries [0.56(0.40-0.78), 0.49(0.32-0.74), 0.52(0.29-0.93)], and bananas [0.40(0.29-0.57), 0.41(0.27-0.62), 0.34(0.19-0.63)], were protective factors against the risk of gastric cancer based on the results of the overall adjusted analyses and the results for men and women, respectively.CONCLUSION: A protective effect of vitamin C and vitamin C-contributing foods against gastric cancer was observed. Further studies using larger sample sizes are required to replicate our results. | Bach Viet Hoang Jeonghee Lee Il Ju Choi Young-Woo Kim Keun Won Ryu Jeongseon Kim | 2016 | World Journal of Gastroenterology2016，22，27： | 3 |
| 15 | 带双质量飞轮的动力传动系统各种工况的仿真显示文摘节约实车试验和减少开发周期和成本的一个必不可少的工具是通过各种行驶条件下的仿真来确定双质量飞轮(DMF)的最优参数。另外,仿真还能确定应用于当前设计的新方法的效能。 | Hartmut Bach Wolfgang Kücks Michael Triebel ZF Sachs AG Schweinfurt | 2008 | 传动技术2008，22，3： | 3 |
| 16 | Determination of basal ileal endogenous losses and standardized ileal digestibility of amino acids in barley fed to growing pigs显示文摘Background: Basal ileal endogenous amino acid(AA) losses(IAA_(end)) and standardized ileal digestibility(SID) values of cereal grains, such as barley, are apparently underestimated when determined according to the nitrogen(N)-free method. Regression analysis between the dietary apparent ileal digestible content(c AID) and total crude protein(CP) and AA can be considered as alternative approach to obtain more accurate values for IAA_(end)and SID of AA in cereal grains.Methods: Eight hulled barley genotypes were used, with barley being the only source of CP and AA in the assay diets. The diets contained 95 % as-fed of these eight barley genotypes each, ranging in CP content between 109.1 and 123.8 g/kg dry matter(DM). Nine ileally T-cannulated barrows, average body weight(BW) 30 ± 2 kg, were allotted to a row-column design comprising eight periods with 6 d each and nine pigs. On d 5 and the night of d 6 of every period, ileal digesta were collected for a total of 12 h. The IAA_(end) and the SID were determined by linear regression analysis between c AID and total dietary CP and AA.Results: There exist linear relationships between cA ID and total CP and AA(P < 0.001). The IAA_(end) of CP, Lys, Met, Thr and Trp amounted to 35.34, 1.08, 0.25, 1.02 and 0.38 g/kg DM intake(DMI), respectively, which are greater compared to average IAA_(end) determined previously under N-free feeding conditions. The SID of CP, Lys, Met, Thr and Trp was 90,79, 85, 79 and 86 %, respectively, and was greater when compared to tabulated values. Moreover, these SID values were greater than those reported in literature, based on correction of apparent ileal digestibility(AID) of CP and AA for their IAA_(end)values. Summarized, the results of the present regression analysis indicate greater IAA_(end)in barley-based diets compared to those obtained by N-free feeding.Conclusions: For low-protein feed ingredients like barley the regression method may be preferred over correction of AID values for their IAA_(end)determined under N-free feeding conditions, as intercepts and slopes of the linear regression equations between cA ID and total dietary CP and AA provide direct estimates of IAA_(end)and SID of CP and AA in the presence of the assay feed ingredient. | Hanna Katharina Spindler Rainer Mosenthin Pia Rosenfelder Henry J?rgensen Knud Erik Bach Knudsen Meike Eklund | 2017 | Journal of Animal Science and Biotechnology2017，8，1： | 2 |
| 17 | Synthesis of cation exchange resin-supported iron and magnesium oxides/hydroxides composite for nitrate removal in water显示文摘In this study,we reported on the concept and practical use of cation exchange resin(CER)for removing anions in water via pretreating the CER with metal salts.The cation exchange resinsupported iron and magnesium oxides/hydroxides composite(FeMg/CER)was synthesized and introduced as a new and potential adsorbent for selective removal of nitrate ion in the water environment.Characteristics of FeMg/CER were determined by techniques such as Fouriertransform infrared spectroscopy,scanning electron microscopy,and Xray diffraction.The results showed that FeMg/CER material had a high nitrate adsorption capacity of 200 mg NO_(3)^()·g^(1)with a fast equilibrium adsorption time of 30 min at pH 5.In addition,it had good durability of at least 10 times of regeneration,which could be applied to practical water and wastewater treatment. | Trung Thanh Nguyen Vu Anh Khoa Tran Le Ba Tran Phuoc Toan Phan Minh Tan Nguyen Long Giang Bach Surapol Padungthon Cong Khiem Ta Nhat Huy Nguyen | 2021 | Chinese Journal of Chemical Engineering2021，34，4： | 2 |
| 18 | A long‐term nitrogen fertilizer gradient has little effect on soil organic matter in a high‐intensity maize production system显示文摘 | Kimberly H. Brown Elizabeth M. Bach Rhae A. Drijber Kirsten S. Hofmockel Elizabeth S. Jeske John E. Sawyer Michael J. Castellano | 2014 | Glob Change Biol2014，，4： | 2 |
| 19 | Machine learning property prediction for organic photovoltaic devices显示文摘Organic photovoltaic(OPV)materials are promising candidates for cheap,printable solar cells.However,there are a very large number of potential donors and acceptors,making selection of the best materials difficult.Here,we show that machine-learning approaches can leverage computationally expensive DFT calculations to estimate important OPV materials properties quickly and accurately.We generate quantitative relationships between simple and interpretable chemical signature and one-hot descriptors and OPV power conversion efficiency(PCE),open circuit potential(Voc),short circuit density(Jsc),highest occupied molecular orbital(HOMO)energy,lowest unoccupied molecular orbital(LUMO)energy,and the HOMO–LUMO gap.The most robust and predictive models could predict PCE(computed by DFT)with a standard error of±0.5 for percentage PCE for both the training and test set.This model is useful for pre-screening potential donor and acceptor materials for OPV applications,accelerating design of these devices for green energy applications. | Nastaran Meftahi Mykhailo Klymenko Andrew J.Christofferson Udo Bach David A.Winkler Salvy P.Russo | 2020 | npj Computational Materials2020，，1： | 2 |
| 20 | Nitrogen Metabolism in the Rumen *显示文摘 | A. Bach S. Calsamiglia M.D. Stern | 2005 | Journal of Dairy Science2005，，： | 2 |
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