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11th German Conference on Chemoinformatics (GCC 2015) Abstracts

JOURNAL OF CHEMINFORMATICS 2016年第SUPPL 1期8卷 1-27页

作者： [Anonymous] GDCh-CIC Division Associated Board Member Beilstein-Institut zur Förderung der Chemischen Wissenschaften Trakehner Str. 7-9 60487 Frankfurt Germany. ufechner@beilstein-institut.de. Division Medicinal Chemistry Amsterdam Institute for Molecules Medicines and Systems (AIMMS) VU University Amsterdam The Netherlands. Centre for Bioinformatics Uni Hamburg Bundesstr. 43 20146 Hamburg Germany. Sanofi-Aventis Deutschland GmbH 65926 Frankfurt am Main Germany. stefan.guessregen@***. Sanofi-Aventis Deutschland GmbH 65926 Frankfurt am Main Germany. GlaxoSmithKline Stevenage SG1 2NY UK. nicola.j.richmond@***. Discngine Paris 75011 France. Organisch-Chemisches Institut Westfälische Wilhelms-Universität Münster Germany. marwin.segler@wwu.de. Organisch-Chemisches Institut Westfälische Wilhelms-Universität Münster Germany. Bundeskriminalamt Wiesbaden Central Analytics II 65173 Wiesbaden Germany. Department of Chemistry and Biochemistry University of California Santa Barbara CA 93111 USA. shea@chem.ucsb.edu. Department of Chemistry and Biochemistry University of California Santa Barbara CA 93111 USA. Chemistry Department Ludwig-Maximilians-Universität München Butenandtstr. 7 81377 Munich Germany. Inorganic Chemistry and Center for Nanointegration University of Duisburg-Essen Essen Germany. CAM-D Technologies Essen Germany. Institute for Bioinformatics and Chemoinformatics Westphalian University of Applied Sciences Recklinghausen Germany. Institute for Bioinformatics and Chemoinformatics Westphalian University of Applied Sciences Recklinghausen Germany. achim.zielesny@w-hs.de. Leiden University Leiden Netherlands. j.fraaije@chem.leidenuniv.nl. Culgi BV Berlin Germany. Physikalische Chemie III TU Dortmund 44227 Dortmund Germany. stefan.kast@tu-dortmund.de. Centre for Molecular Informatics Department of Chemistry University of Cambridge Lensfield Road Cambridge CB2 1EW United Kingdom. kcb27@cam.ac.uk. Centre for Molecular Informatics Department of Chemistry

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Jammed lattice sphere packings

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Physical Review E 2013年第6期88卷 062151-062151页

作者： Yoav Kallus Étienne Marcotte Salvatore Torquato Princeton Center for Theoretical Science Princeton University Princeton New Jersey 08544 USA Department of Physics Princeton University Princeton New Jersey 08544 USA Department of Chemistry Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA Princeton Institute of the Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA

We generate and study an ensemble of isostatic jammed hard-sphere lattices. These lattices are obtained by compression of a periodic system with an adaptive unit cell containing a single sphere until the point of mechanical stability. We present detailed numerical data about the densities, pair correlations, force distributions, and structure factors of such lattices. We show that this model retains many of the crucial structural features of the classical hard-sphere model and propose it as a model for the jamming and glass transitions that enables exploration of much higher dimensions than are usually accessible.

关键词： LATTICE theory SPHERE packings ISOSTATIC pressing STABILITY (Mechanics) MATHEMATICAL models GLASS transitions

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Lineage structure of the human antibody repertoire in response to influenza vaccination

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医用生物力学 2013年第S1期28卷 36-37页

作者： Ning Jiang Jiankui He Joshua A.Weinstein Lolita Penland Sanae Sasaki Xiao-Song He Patrick C.Wilson Harry B.Greenberg Mark M.Davis Daniel S.Fisher Stephen R.Quake Department of Biomedical Engineering the University of Texas at AustinAustinTXUSA Department of Bioengineering Stanford University School of MedicineStanfordCaliforniaUSA Biophysics Graduate Program Stanford UniversityStanfordCaliforniaUSA Department of Immunology and Microbiology Stanford University School of MedicineStanfordCaliforniaUSA VA Palo Alto Health Care System Palo AltoCaliforniaUSA Department of Medicine Stanford University School of MedicineStanfordCaliforniaUSA Department of Medicine University of Chicago Pritzker School of MedicineChicagoIllinoisUSA Howard Hughes Medical Institute Department of Applied Physics Stanford UniversityStanfordCaliforniaUSA Department of Biology Stanford UniversityStanfordCaliforniaUSA

The adaptive immune system produces a large and diverse set of antibodies,each with an individual evolutionary and clonal *** so called"antibody repertoire"protects each individual against insults such as infection and cancer,and responds to vaccination with B cell proliferation in response to the antigenic *** and antigen-specific FACSbased analysis have given us much insight on how the immune system generates the complex and diverse immune response required to protect the body from the wide variety of potential ***,these methods have not been sufficient to make global and unbiased characterizations of the clonal structure of the immune system of a particular individual。

关键词： vaccination clonal antigenic diverse insight stimulation evolutionary immunized protect vaccine

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Cyclic voltammetric study of Co-Ni-Fe alloys electrodeposition in sulfate medium

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AIP Conference Proceedings 2013年第1期1571卷

作者： I. Hanafi A. R. Daud S. Radiman Material Science Program School of Applied Physics Faculty of Science and Technology Universiti Kebangsaan Malaysia 43600 UKM Bangi Selangor Malaysia

Electrochemical technique has been used to study the electrodeposition of cobalt, nickel, iron and Co-Ni-Fe alloy on indium tin oxide (ITO) coated glass substrate. To obtain the nucleation mechanism, cyclic voltammetry is used to characterize the Co-Ni-Fe system. The scanning rate effect on the deposition process was investigated. Deposition of single metal occurs at potential values more positive than that estimated stability potential. Based on the cyclic voltammetry results, the electrodeposition of cobalt, nickel, iron and Co-Ni-Fe alloy clearly show that the process of diffusion occurs is controlled by the typical nucleation mechanism.

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High-endurance solar-blind photodetectors using AlN on Si substrates for extreme harsh environment applications

High-endurance solar-blind photodetectors using AlN on Si su...

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Device Research Conference

作者： Dung-Sheng Tsai Wei-Cheng Lien Der-Hsien Lien Kuan-Ming Chen Meng-Lin Tsai Debbie G. Senesky Yueh-Chung Yu Albert P. Pisano Jr-Hau He Institute of Photonics and Optoelectronics National Taiwan University Taipei Taiwan Applied Science and Technology Program & Department of Electrical Engineering and Computer Science University of California Berkeley CA USA Institute of Physics Academia Sinica Taipei Taiwan Department of Aeronautics & Astronautics Stanford University Stanford CA USA Institute of Photonics and Optoelectronics Department of Electrical Engineering National Taiwan University Taipei Taiwan

In this paper, the metal-semiconductor-metal (MSM) Schottky AlN photodetectors (PDs) on Si substrates show a dark current as low as ~1 nA at a bias up to 200 V. Excellent thermal stability and radiation hardness of solar-blind AlN MSM PDs are achieved. The working temperature is up to 300 °C and the radiation tolerance is up to 10 13 cm -2 of 2 MeV proton fluences for AlN MSM PDs. The results demonstrate the high promise of AlN as an active material for solar-blind DUV photodetection in extremely harsh environments.

关键词： III-V semiconductor materials Temperature measurement Protons Radiation effects Substrates Dark current Semiconductor device measurement

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Preconditioners and Electron Density Optimization in Orbital-Free Density Functional Theory

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Communications in Computational physics 2012年第6期12卷 135-161页

作者： Linda Hung Chen Huang Emily A.Carter Program in Applied and ComputationalMathematics Princeton UniversityPrincetonNJ 08544USA Department of Physics Princeton UniversityPrincetonNJ 08544USA Department of Mechanical and Aerospace Engineering and Andlinger Center for Energy and the Environment Princeton UniversityPrincetonNJ 08544USA

Orbital-free density functional theory(OFDFT)is a quantum mechanical method in which the energy of a material depends only on the electron density and ionic *** examine some popular algorithms for optimizing the electron density distribution in OFDFT,explaining their suitability,benchmarking their performance,and suggesting some *** start by describing the constrained optimization problem that encompasses electron density ***,we discuss the line search(including Wolfe conditions)and the nonlinear conjugate gradient and truncated Newton algorithms,as implemented in our open source OFDFT *** finally focus on preconditioners derived from OFDFT energy *** preconditioners are successful for simulation cells of all sizes without regions of low electron-density and for small simulation cells with such regions.

关键词： Density functional theory truncated Newton method conjugate gradient method constrained optimization benchmarks

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Abstracts from the 3rd International Genomic Medicine Conference (3rd IGMC 2015) : Jeddah, Kingdom of Saudi Arabia. 30 November - 3 December 2015

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BMC genomics 2016年第6期17 Suppl 6卷 487页

作者： Jerry W. Shay Noriko Homma Ruyun Zhou Muhammad Imran Naseer Adeel G. Chaudhary Mohammed Al-Qahtani Nobutaka Hirokawa Maryam Goudarzi Albert J. Fornace Saleh Baeesa Deema Hussain Mohammed Bangash Fahad Alghamdi Hans-Juergen Schulten Angel Carracedo Ishaq Khan Hanadi Qashqari Nawal Madkhali Mohamad Saka Kulvinder S. Saini Awatif Jamal Jaudah Al-Maghrabi Adel Abuzenadah Adeel Chaudhary Mohammed Al Qahtani Ghazi Damanhouri Heba Alkhatabi Anne Goodeve Laura Crookes Nikolas Niksic Nicholas Beauchamp Adel M. Abuzenadah Jim Vaught Bruce Budowle Mourad Assidi Abdelbaset Buhmeida Leena Merdad Sudhir Kumar Sayaka Miura Karen Gomez Mahmood Rasool Ahmed Rebai Sajjad Karim Hend F. Nour Eldin Heba Abusamra Elham M. Alhathli Nada Salem Mohammed H. Al-Qahtani Hossam Faheem Ashok Agarwa Eberhard Nieschlag Joachim Wistuba Oliver S. Damm Mohd A. Beg Taha A. Abdel-Meguid Hisham A. Mosli Osama S. Bajouh Serdar Coskun Muhammad Abu-Elmagd Ashraf Dallol Sahar Hakamy Wejdan Al-Qahtani Asia Al-Harbi Shireen Hussain Burak Ozkosem Rick DuBois Safia S. Messaoudi Maryam T. Dandana Touhami Mahjoub Wassim Y. Almawi S. Abdalla M. Nabil Al-Aama Asmaa Elzawahry Tsuyoshi Takahashi Sachiyo Mimaki Eisaku Furukawa Rie Nakatsuka Isao Kurosaka Takahiko Nishigaki Hiromi Nakamura Satoshi Serada Tetsuji Naka Seiichi Hirota Tatsuhiro Shibata Katsuya Tsuchihara Toshirou Nishida Mamoru Kato Sajid Mehmood Naeem Mahmood Ashraf Awais Asif Muhammad Bilal Malik Siddique Mehmood Aadil Hussain Qazi Mohammad Sajid Jamal Mughees Uddin Siddiqui Mohammad A. Alzohairy Mohammad A. Al Karaawi Taoufik Nedjadi Heba Al-Khattabi Adel Al-Ammari Ahmed Al-Sayyad Hédia Zitouni Nozha Raguema Marwa Ben Ali Wided Malah Raja Lfalah Wassim Almawi Mohammed Elanbari Andrey Ptitsyn Sana Mahjoub Rabeb El Ghali Bechir Achour Nidhal Ben Amor Brahim N’siri Hamid Morjani Esam Azhar Vera Chayeb Maryam Dendena Hedia Zitouni Khedija Zouari-Limayem Bassem Refaat Ahmed M. Ashshi Sarah A. Batwa Hazem Ramadan Amal Awad Ahmed Ateya Adel Galal Ahmed El-Shemi Ahmad Ashshi Mohammed Basalamah Youjin Na Cha University of Texas Southwestern Medical Center Dallas USA Department of Cell Biology and Anatomy Graduate School of Medicine the University of Tokyo Tokyo Japan Center of Excellence in Genomic Medicine Research King Abdulaziz University Jeddah Saudi Arabia Department of Biochemistry and Molecular & Cellular Biology Lombardi Comprehensive Cancer Center Georgetown University Washington USA Department of Oncology Lombardi Comprehensive Cancer Center Georgetown University Washington USA Department of Radiation Medicine Lombardi Comprehensive Cancer Center Georgetown University Washington USA Center of Excellence in Genomic Medicine Research (CEGMR) King Abdulaziz University Jeddah Kingdom of Saudi Arabia King Fahd Medical Research Centre King Abdulaziz University Jeddah Saudi Arabia Centre of Excellence in Genomic Medicine Research King Abdulaziz University Jeddah Saudi Arabia Sheffield Diagnostic Genetic Service Sheffield Children’s NHS Foundation Trust Western Bank Sheffield UK Center of Innovations in Personalized Medicine King Abdulaziz University Jeddah Saudi Arabia President ISBER Editor-in-Chief Biopreservation & Biobanking ᅟ USA Institute of Applied Genetics Department of Molecular and Medical Genetics University of North Texas Health Science Center Fort Worth USA Department of Dental Public Health Faculty of Dentistry King Abdulaziz University Jeddah Saudi Arabia Institute for Genomics and Evolutionary Medicine Temple University Philadelphia USA Center of Excellence in Genomic Medicine King Abdulaziz University Jeddah Kingdom of Saudi Arabia Laboratory of Molecular and Cellular Screening Processes (Bioinformatics Group) Centre of Biotechnology of Sfax Sfax Tunisia Fujitsu Technology Solutions International ᅟ ᅟ Case Western Reserve University School of Medicine and Lerner College of Medicine Cleveland Clinic Foundation Cleveland USA American Center for Reproductive Medicine Andrology Center Cleveland USA Center for Reproductive Medicine and

O1 Regulation of genes by telomere length over long distances Jerry W. Shay O2 The microtubule destabilizer KIF2A regulates the postnatal establishment of neuronal circuits in addition to prenatal cell survival, cell migration, and axon elongation, and its loss leading to malformation of cortical development and severe epilepsy Noriko Homma, Ruyun Zhou, Muhammad Imran Naseer, Adeel G. Chaudhary, Mohammed Al-Qahtani, Nobutaka Hirokawa O3 Integration of metagenomics and metabolomics in gut microbiome research Maryam Goudarzi, Albert J. Fornace Jr. O4 A unique integrated system to discern pathogenesis of central nervous system tumors Saleh Baeesa, Deema Hussain, Mohammed Bangash, Fahad Alghamdi, Hans-Juergen Schulten, Angel Carracedo, Ishaq Khan, Hanadi Qashqari, Nawal Madkhali, Mohamad Saka, Kulvinder S. Saini, Awatif Jamal, Jaudah Al-Maghrabi, Adel Abuzenadah, Adeel Chaudhary, Mohammed Al Qahtani, Ghazi Damanhouri O5 RPL27A is a target of miR-595 and deficiency contributes to ribosomal dysgenesis Heba Alkhatabi O6 Next generation DNA sequencing panels for haemostatic and platelet disorders and for Fanconi anaemia in routine diagnostic service Anne Goodeve, Laura Crookes, Nikolas Niksic, Nicholas Beauchamp O7 Targeted sequencing panels and their utilization in personalized medicine Adel M. Abuzenadah O8 International biobanking in the era of precision medicine Jim Vaught O9 Biobank and biodata for clinical and forensic applications Bruce Budowle, Mourad Assidi, Abdelbaset Buhmeida O10 Tissue microarray technique: a powerful adjunct tool for molecular profiling of solid tumors Jaudah Al-Maghrabi O11 The CEGMR biobanking unit: achievements, challenges and future plans Abdelbaset Buhmeida, Mourad Assidi, Leena Merdad O12 Phylomedicine of tumors Sudhir Kumar, Sayaka Miura, Karen Gomez O13 Clinical implementation of pharmacogenomics for colorectal cancer treatment Angel Carracedo, Mahmood Rasool O14 From association to causality: translation of GWAS findings for genomic me

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Effect of film thickness variation on (100)-surface texturing of MPS processed polycrystalline Si films

Effect of film thickness variation on (100)-surface texturin...

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2012 MRS Spring Meeting

作者： Chahal, Monica Van Der Wilt, P.C. Van Gestel, D. Limanov, A.B. Chitu, A.M. Im, James S. Program in Materials Science and Engineering Department of Applied Physics and Applied Mathematics Columbia University New York NY United States IMEC Solar Cell Tech. Group Leuven Belgium Korea Republic of Coherent GmbH Göttingen Germany

ISBN: (纸本)9781605114033

We have investigated the effect of varying the film thickness on the surface orientation texturing in polycrystalline Si films obtained via mixed-phase solidification (MPS) of initially a-Si precursor films on SiO 2. It is found that, for a given number of MPS exposure cycles, the degree of (100)-surface texturing is reduced as the film thickness is increased. We discuss how this trend can be accounted for by the previously proposed thermodynamic model of MPS, wherein a decreasing local solid/liquid interface curvature with increasing film thickness is identified as the primary cause for decreasing the influence which anisotropic solid-Si/SiO2 interfacial energies have on the survivability of the grains. This, in turn, leads to other factors becoming more significant in determining the grains that survive the MPS cycle, thereby reducing the degree of (100)-surface texturing in the resulting films. © 2012 Materials Research Society.

关键词： Film thickness

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Femtosecond laser deposition of semiconductor quantum dot films

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AIP Conference Proceedings 2012年第1期1464卷 402-417页

作者： Ibrahim Oraiqat Jack Kennedy James Mathis Roy Clarke Applied Physics Program and the Center for Solar and Thermal Energy Conversion University of Michigan Ann Arbor MI 48109 USA

We report new results on the deposition of high-density films of semiconductor nanostructures by ultrafast pulsed laser deposition (UFPLD). Such materials are of interest for advanced optoelectronic applications such as quantum dot lasers and energy harvesting devices. The deposition method utilizes the interaction of a focused chirped pulse amplified (CPA) Ti-sapphire laser beam with a solid target (a rotating semiconductor wafer) to produce a hot-dense plasma at the target surface with a power density in excess of 1014 W/cm2. The plasma then undergoes rapid expansion and the resulting condensation process produces a high density of nanoscale particles (average size of a few nm) on a substrate placed a few cm from the target. We have investigated several semiconductor quantum dot systems including silicon and germanium. We observed a significant blue-shift of the optical absorption edge indicating quantum confinement effects which may be of interest for photovoltaic applications.

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Phase-controlled switching between incoherent optical images in a double-Λ system

Phase-controlled switching between incoherent optical images...

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Quantum Information and Measurement, QIM 2012

作者： Kim, Bongjune Park, Young Ho Sohn, Byoung Uk Ko, Do-Keyung Oh, Cha-Hwan Kang, Hoonsoo Quantum Optics Lab Advanced Photonics Research Institute GIST Gwangju 500-712 Korea Republic of Department of Physics Hanyang University Seoul 133-791 Korea Republic of Graduate program of Photonics and Applied Physics GIST Gwangju 500-712 Korea Republic of

ISBN: (纸本)9781557529398

The coherent control of optical images has garnered attention because the range of information embedded in optical images is expected to be controlled in high efficiency. Recently, the storage of optical images using coherent control techniques opened a method for multiple information storage. Image control in coherent medium might move up new era of quantum information technology since the generation of entangled image pairs was realized with parametric process in coherent medium. One of the most important optical controls is switch for information distribution. Here, phase-controlled optical image switching with low light intensity was demonstrated in a double-Λ system. Switching by interference in a double-Λ system was observed as having a 90 % switching depth between incoherent image pixels. Two independent laser sources were adopted for a double-Λ system such that images inscribed in two weak probe lights were incoherent with each other.

关键词： Diode lasers Image storage Laser sources Light intensity Phase shift Quantum information Atom optics (020.1335) Coherence (030.1640) Coherent optical effects (030.1670)

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