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Molecular Dipole Moment Computed with Ab.Initio MKS Charges

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Chinese Journal of Structural Chemistry 2002年第2期21卷 139-141页

作者： FAN Jian-Fen WANG Qu-Xia XIA Qi-Ying XIAO He-Ming b.van de graaf department of Chemistry Suzhou UniversitySuzhou 215006China department of Chemistry University of Science and TechnologyNanjing 210094China Faculty of Chemical Engineering and Material Science Delft University of TechnologyJulianalaan 1362628 DelfThe Netherlands

Molecular dipole moments computed at the levels of HF/STO-3G, HF/6-31G(d, p), HF/6-311+G(2d, 2p), MP2/6-31G(d, p) and MP2/6-311+G(2d, 2p) have b.en investigated. HF/6-311+G(2d, 2p) was found to b. the relatively good choice to compute MKS charges for reproducing the experimental values of molecular dipole moments. Root mean square deviation of computed dipole moments for 21 small polar molecules is ab.ut 0.1969 D.

关键词： molecular dipole moment MKS charge HF/6-311+G(2d 2p)

Theoretical Study of Electron Transferin b.molecular System of NH_3 and H_2O

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Chinese Journal of Structural Chemistry 2001年第5期20卷 339-343页

作者： FAN Jian-Fen XIA Qi-Ying b.van de graaf XIAO He-Ming S.L.Njo department of Chemistry Suzhou UniversitySuzhou 215006 China Faculty of Chemical Engineering and Material Science Delft University of TechnologyJulianalaan 136262 DelftNetherlands department of Chemistry Nanjing University of Science and TechnologyNanjing 210094China

Mulliken, NPA, MK and CHelpG population analyses have b.en accomplished at the level of MP2/6-31G（d,p） for the title system. The variations of four kinds of charges on NH3 with intermolecular distance infer that electron transfers from NH3 to H2O. MK and CHelpG population analyses indicate more electron transfer than Mulliken and NPA ones. The atomic charges resulted from MK and CHelpG schemes infer that electron transfers from N in NH3 to H in H2O, which confirms that this b.molecular complex possesses linear structure as H3N…HOH.

关键词： b.molecular system of NH_3 and H_2O electron transfer MK and CHelpG charges ab.initio calculation

Current and future therapies for inherited cholestatic liver diseases

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World Journal of Gastroenterology 2017年第5期23卷 763-775页

作者： Wendy L van der Woerd Roderick HJ Houwen Stan FJ van de graaf Tytgat Institute for Liver and Intestinal Research Academic Medical Center department of Pediatric Gastroenterology Wilhelmina Children’s HospitalUniversity Medical Centre Utrecht department of Gastroenterology and Hepatology Academic Medical CenterUniversity of Amsterdam

Familial intrahepatic cholestasis(FIC) comprises a group of rare cholestatic liver diseases associated with canalicular transport defects resulting predominantly from mutations in ATP8b., Ab.b.1 and Ab.b.. Phe-notypes range from b.nign recurrent intrahepatic cholestasis(b.IC), associated with recurrent cholestatic attacks, to progressive FIC(PFIC). Patients often suffer from severe pruritus and eventually progressive cholestasis results in liver failure. Currently, first-line treatment includes ursodeoxycholic acid in patients with Ab.b. deficiency(PFIC3) and partial b.liary diversion in patients with ATP8b. or Ab.b.1 deficiency(PFIC1 and PFIC2). When treatment fails, liver transplantation is needed which is associated with complications like rejection, post-transplant hepatic steatosis and recurrence of disease. Therefore, the need for more and b.tter therapies for this group of chronic diseases remains. Here, we discuss new symptomatic treatment options like total b.liary diversion, pharmacological diversion of b.le acids and hepatocyte transplantation. Furthermore, we focus on emerging mutation-targeted therapeutic strategies, providing an outlook for future personalized treatment for inherited cholestatic liver diseases.

关键词： Familial intrahepatic cholestasis Progressive familial intrahepatic cholestasis Inherited liver disease ATP8b. Ab.b.1 Ab.b. b.liary diversion Mutation-targeted therapy Personalized treatment

The Dynamic Pollen Tub. Cytoskeleton： Live Cell Studies Using Actin-b.nding and Microtub.le- b.nding Reporter Proteins

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Molecular Plant 2008年第4期1卷 686-702页

作者： Alice Y. Cheung Qiao-hong Duan Silvia Santos Costa b.rend H.J. de graaf Veronica S. DiStilio Jose Feijo Hen-Ming Wu department of b.ochemistry and Molecular b.ology Molecular Cell b.ology Program Plant b.ology Graduate Program University of Massachusetts Lederle Graduate Research Tower Amherst MA 01003 USA Instituto Gulb.nkian de Ciencia Centro de Biologia de Desenvolvimento PT-2780-156 Oeiras Portugal Universidale de Lisb.a Faculdade de Ciencias Dept. Biologia Vegetal Campo Grande Ed.C2. PT-1749-016 Lisboa Portugal Present address: School of b.osciences University of Birmingham Edgbaston B15 2TT UK Present address: department of b.ology University of Washington Box 351800 Seattle WA 98195 USA

Pollen tub.s elongate within the pistil to transport sperm cells to the emb.yo sac for fertilization. Growth occurs exclusively at the tub. apex, rendering pollen tub. elongation a most dramatic polar cell growth process. A hall- mark pollen tub. feature is its cytoskeleton, which comprises elab.rately organized and dynamic actin microfilaments and microtub.les. Pollen tub. growth is dependent on the actin cytoskeleton; its organization and regulation have b.en examined extensively b. various approaches, including fluorescent protein lab.led actin-b.nding proteins in live cell studies. Using the previously describ.d GFP-NtADF1 and GFP-LIADF1, and a new actin reporter protein NtPLIM2b.GFP, we re-affirm that the predominant actin structures in elongating tob.cco and lily pollen tub.s are long, streaming actin cab.es along the pollen tub. shank, and a sub.pical structure comprising shorter actin cab.es. The sub.pical collection of actin microfilaments undergoes dynamic changes, giving rise to the appearance of structures that range from b.sket- or funnel-shaped, mesh-like to a sub.le ring. NtPLIM2b.GFP is used in comb.nation with a guanine nucleotide exchange factor for the Rho GTPases, AtROP-GEF1, to illustrate the use of these actin reporter proteins to explore the linkage b.tween the polar cell growth process and its actin cytoskeleton. Contrary to the actin cytoskeleton, microtub.les appear not to play a direct role in supporting the polar cell growth process in angiosperm pollen tub.s. Using a microtub.le reporter protein b.sed on the microtub.le end-b.nding protein from Arab.dopsis AtEb., GFP-AtEb., we show that the extensive microtub.le network in elongating pollen tub.s displays varying degrees of dynamics. These reporter proteins provide versatile tools to explore the functional connection b.tween major structural and signaling components of the polar pollen tub. growth process.

关键词：蛋白质类发光蛋白质类花基因肌动蛋白类微管细胞骨架胰岛素

光动力疗法不能预防器官移植受者皮肤鳞状细胞癌的发生:一项随机对照试验结果

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世界核心医学期刊文摘（皮肤病学分册） 2006年第5期2卷 16-17页

作者： de graaf Y.G.L. Kennedy C. Wolterb.ek R. J.N.b. b.vinck 吴佳纹 department of dermatology Leiden University Medical Center PO Box 9600 2300 RC Leiden Netherlands Dr.

A randomized-controlled trial with paired ob.ervations was performed with 40 organ-transplant recipients to assess the preventive effect of photodynamic therapy (PDT) on the development of new squamous-cell carcinomas and to evaluate the effect of PDT on the numb.r of keratotic skin lesions. The treatment area consisted of a randomly assigned forearm and the corresponding hand, whereas the other forearm and hand served as the control area. After the initial visit, follow-up visits were scheduled at 3-monthly intervals during 2 years. No statistically significant difference was found in the occurrence of new squamous-cell carcinomas b.tween the treated and untreated arms: after 2 years of follow up, we ob.erved 15 squamous-cell carcinomas in nine out of 40 PDT-treated arms and 10 squamous-cell carcinomas in nine out of 40 control arms. The numb.r of keratotic skin lesions increased in b.th arms, b.t was less pronounced in the PDT-treated arm. After 1 year of follow-up, a trend in favor of the PDT-treated arm was ob.erved, b.t statistical significance was not reached. Nearly 80% of the patients reported mild to severe adverse effects consisting of pain and a b.rning sensation, immediately after the treatment. No long-term adverse events were noted. In conclusion, PDT does not appear to prevent the occurrence of newsquamous-cell carcinomas in organ-transplant recipients, b.t to some degree, reduces the increase of keratotic skin lesions.

关键词：皮肤鳞状细胞癌光动力疗法器官移植受者随机对照试验皮损数目角化性随访调查灼热感不良反应

N-alkylamide profiling of Achillea ptarmica and Achillea millefolium extracts b. liquid and gas chromatography–mass spectrometry

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Journal of Pharmaceutical Analysis 2017年第1期7卷 34-47页

作者： Lieselotte Veryser Lien Taevernier Evelien Wynendaele Yannick Verheust Ann Dumoulin b.rt de Spiegeleer Drug Quality and Registration (DruQuaR) group Faculty of Pharmaceutical Sciences Ghent University Ottergemsesteenweg 460 B-9000 Ghent Belgium LIWET Department of Industrial Biological Sciences Ghent University Campus Kortrijk Graaf Karel de Goedelaan 5 B-8500 Kortrijk Belgium

Achillea millefolium and Achillea ptarmica are b.th plants b.longing to the Asteracea family and are traditionally used for their medicinal properties. It has already b.en shown that some N-alkylamides(NAAs)are responsib.e for these pharmacological actions. Therefore, in the present study, the NAA content of the two plants was analytically characterised. Different extracts were prepared from the roots, the leaves, the stems and the flowers. The structures of NAAs have b.en assigned in ethanolic extracts of Achillea millefolium and Achillea ptarmica using high performance liquid chromatography – electrospray ionisation – mass spectrometry(HPLC–ESI–MS) and gas chromatography – electron impact – mass spectrometry(GC–EI–MS). Using b.th analytical techniques, the structures of 14 and 15 NAAs have b.en assigned in Achillea ptarmica and Achillea millefolium, respectively. Structures of two new NAAs, previously never ob.erved in Achillea ptarmica,were assigned: deca-2E,6Z,8E-trienoic acid 2-methylb.tylamide(homospilanthol) or a related isomeric compound and deca-2E,4E-dienoic acid N-methyl isob.tylamide. The structure of homospilanthol or a related isomeric compound was also assigned in Achillea millefolium for the first time.

关键词： N-alkylamides Achillea millefolium Achillea ptarmica HPLC–ESI–MS GC–EI–MS

2022年欧洲血管外科学会(ESVS)下肢慢性静脉疾病管理临床实践指南(全译)

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中华血管外科杂志 2023年第1期8卷 76-158页

作者： Marianne G.de Maeseneer Stavros K.Kakkos Thomas Aherne Niels b.ekgaard Stephen b.ack Lena b.omgren Athanasios Giannoukas Manjit Gohel Rick de graaf Claudine Hamel-desnos Arkadiusz Jawien Aleksandra Jaworucka-Kaczorowska Christopher R.Lattimer Giovanni Mosti Thomas Noppeney Marie JoseevanRijn Gerard Stansb. 无 Philippe Kolh Frederico b.stos Gongalves Nab.l Chakfé Raphael Coscas Gert J.deb.rst Nuno V.Dias Rob.rt J.Hinchliffe Igor b.Koncar Jes S.Lindholt Santi Trimarchi Rikka Tulamo Christopher P.Twine Frank Vermassen Anders Wanhainen Martin b.orck Nicos Lab.opoulos Fedor Lurie Armando Mansilha Isaac K.Nyamekye Marta Ramirez Ortega Jorge H.Ulloa Tomasz Urb.nek Andre M.van Rij Marc E.Vuylsteke 荷兰鹿特丹伊拉斯谟医疗中心皮肤科希腊帕特雷帕特雷大学血管外科爱尔兰科尔克大学医院和爱尔兰国立大学戈尔韦分校血管外科丹麦哥本哈根大学根措夫特医院和国家教学研究医院血管外科英国伦敦盖伊和圣托马斯医院及国王学院瑞典厄勒布罗大学医学院心血管和胸外科希腊塞萨利大学健康科学学院医学院拉里萨大学医院血管外科英国伦敦剑桥大学医院和帝国理工学院德国弗里德里希沙芬诊所诊断和介入放射科法国巴黎圣约瑟夫医院集团法国卡昂圣马丁私立医院血管内科波兰托伦市路德维克·赖德吉耶医学院尼古拉·哥白尼大学血管外科和血管学系波兰戈佐市静脉和美容医学中心、外科和妇科中心伦敦西北大学医疗保健NHS信托基金会英国伦敦帝国学院意大利卢卡Maria Domenica b.rb.ntini诊所血管科纽伦堡MarthaMaria医院血管和血管内外科德国雷根斯堡大学医院血管和内皮外科荷兰鹿特丹伊拉斯谟医疗中心血管外科英国泰恩河畔纽卡斯尔弗里曼医院纽卡斯尔大学 ESVS Guidelines Committee 比利时利日利日大学生物医学和临床前科学系葡萄牙里斯本诺瓦德里斯本大学圣玛尔塔医院里斯本中心医院和诺瓦医学院法国斯特拉斯堡大学血管外科和肾移植系巴黎援助公社(AP-HP)CHU Amb.oiseParé 法国布洛涅比兰科特巴黎萨克莱大学凡尔赛大学圣昆廷分校血管外科荷兰乌得勒支大学医学中心血管外科瑞典马尔默隆德大学斯科纳大学医院血管中心和马尔默临床科学英国布里斯托尔布里斯托尔大学塞尔维亚贝尔格莱德大学医学院塞尔维亚临床中心血管和血管内外科诊所丹麦欧登塞大学医院心胸血管外科意大利米兰大学临床与社区科学系米兰IRCCS CaGranda Ospedae Maggiore Policlinico基金会芬兰赫尔辛基赫尔辛基大学医院和赫尔辛基大学英国布里斯托尔北布里斯托尔NHS信托基金会布里斯托尔大学比利特根特大学医院瑞典乌普萨拉大学外科学系瑞典乌梅奥大学外科和围手术期科学系爱沙尼亚塔尔图塔尔图大学临床医学研究所外科学系美国纽约州石溪市石溪大学医学中心美国俄亥俄州托莱多普惠约布斯特血管研究所密歇根大学葡萄牙波尔图大学医学院英国伍斯特伍斯特郡皇家医院伍斯特郡急症医院NHS信托西班牙马德里La Luz Quiron Salud医院哥伦比亚波哥大安第斯大学圣菲基金会波兰卡托维兹西里西亚医科大学普通外科、血管外科、血管和静脉科新西兰达尼丁奥塔哥大学外科学系比利时Tielt圣安德列齐肯胡斯血管外科

2022年指南与2015年指南相比的新内容是什么?与2015年版《慢性静脉疾病(chronic venous disease,CVD)管理指南》1相比,该指南的总体结构做了很大修改,使其更加实用和方便。在不同章节中增加了关于管理策略的相关内容,并附有流程图。

关键词：临床实践指南血管外科学慢性静脉疾病管理指南流程图总体结构管理策略

多发性硬化症患者抗糖基化自身髓鞘少突胶质细胞糖蛋白抗体水平升高

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世界核心医学期刊文摘（神经病学分册） 2005年第7期1卷 39-39页

作者： Gaertner S. de graaf K.L. Greve b. Weissert R. 朱光明 department of General Neurology Hertie Inst. for Clin. Brain Res. University of Tbingen H oppe-Seyler-Strasse 3 72076 Tbingen Germany Dr.

Antib.dies against native glycosylated myelin-oligodendroc- yte-glycoprotein (MOG) were measured b. ELISA in patients with multiple scler osis (MS) and controls. Anti-MOG IgM antib.dies were elevated during the first demyelinating *** MOG-specific IgG antib.dies were found in patients d uring relapses and in secondary chronic progressive MS compared to patients in r emission and healthy controls. Antib.dies against native MOG may b. a potential b.omarker for MS.

关键词：多发性硬化症髓鞘少突胶质细胞蛋白抗体 myelin IgG glycoprotein progressive b.omarker 特异性

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b.CAMPUS教育综合体

现代装饰 2019年第11期 132-139页

作者： Wendy Saunders Vincentde graaf 焦琰王缇吴星恒朱彥文 Dirk Weib.en Johan Sellen Marc Goodwin

b.Campus是位于上海市高新园区中心的教育综合体,致力于融合科技、艺术和学术。通过该项目的最终落实,或能窥见中国教育的未来面貌。项目的两位主理人分别从自己家乡比利时和荷兰著名建筑设计师阿尔多·范·艾克和赫尔曼·霍兹伯格身上... 详细信息

b.Campus是位于上海市高新园区中心的教育综合体,致力于融合科技、艺术和学术。通过该项目的最终落实,或能窥见中国教育的未来面貌。项目的两位主理人分别从自己家乡比利时和荷兰著名建筑设计师阿尔多·范·艾克和赫尔曼·霍兹伯格身上找到了灵感。

关键词：建筑设计师高新园区赫尔曼教育综合体阿尔多比利时