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Edited by Glowinski and Lichnewsky; Society for Industrial and Applied Mathematics (Philly, 1990)

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The number of pages within the document is: 7

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Erin Hopper

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2019-01-31 21:58:13.720016

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!!!!!”!!”#$”%& ‘()*’+*),)%-.%/ ‘012’ !”%”-*34′ 5,,)*&$67&7″%’ 867&7-&79″ ‘:!58; ‘!86&*)<$3&7)6 !#$%!&'(!)%*%+,-$!.//0,123414%*!53414+146%!7 ).58! ,04930,1$-+,0:43+9%;2 23;43=!>0,! 43306+146%!+3;!/01%314+::?!=+@% A-$+3=43=!,%*%+,-$!/,0B%-1*9!C23;%;!D?!+!,%-2,,43=!+332+:!+//,0/,4+1403! >,0@!1$%! ‘0,1$!(+,0:43+! E%3%,+:!F**%@D:?G!1$%!).5!,%/,%*%31* !+!*4=34>4-+31! >43+3-4+:!436%*1@%31!43!1 $%! &'(!*?*1%@H* !*1,+1%=4-!=0+:* 9!I,40,41?!,%*%+,-$!+,%+*!%:4=4D:%!>0,!).5!>23;43=!43-:2;%!+;6+3-%;!@+32>+-12,43=8!@+,43%!+3;!-0+*1+:! *-4%3-%8!;%>%3*%G!@4:41+,?G!+3;!*%-2,41?8!/$+,@+-0%3=43%%,43=8!%3%,=?8!+3;!;+1+!*-4%3-%9! ).5! +J+,;*! ;%@03*1,+1%!’0,1$!(+,0: 43+H*!=,0J43=!+//,%-4+1403!0>!1$%!,0:%!1$+1!2346%,*41?!,%*%+,-$!-+3!/:+?!43! *2//0,143=!%-030@4-!;%6%:0/@%31!+-,0**!02,!*1+1%9 !&'(!).5!+–%/1*! /,% A/,0/0*+:*!>,0@!+3?!43*14121403 !70,!-0::%-1403!0>!43*14121403*< !43!1$%!"K A-+@/2*!&’(! *?*1%@9 !53641%; !>2::!/ ,0/0*+:*! J4::!D%! ,%64%J%;!%L1%,3+::?!1$,02=$!+!/,0-%**!,%>%,%%;!D?!1$%!F@%,4-+3! F**0-4+1403!>0,!1$ %!F;6+3-%@%31!0>!M-4%3-%!7FFFM*”-%'()*’?$6<76@ '&'(!4*!$0@%!10!J0,:; A-:+**! ,%*%+,-$%,*!+-,0**!@+3?!>4%:;*9 !#$%!&346%,*41?!$+*!1$%!/01%314+:!10!D%3 %>41! 1$%!*1+1%!0>!’0,1$!(+,0:43+!D?! J0,N43=!43!/+,13%,*$4/!J41$!%+-$!01$%,!+3;!J41$!D2*43%**%*G!>023;+1403* G!303/,0>41*G!+3;!01$%,* 9!#$%!,%*%+,-$!+,%+*!4;%314>4%;!+*!*1,+1%=4-+::?! 4@/0,1+31!>0,!’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’0,1$!(+,0:43+!@+32>+-12,43=! %-030@?9! !2)-%&-.’-6!@4:%*!0>!0-%+3!D%+-$%*G!1 $02*+3;*!0>!@4:%*!0>!%*12+,43%!-0+*1:43%G!+3;! @4::403*!0>!+-,%*!0>!*023;*G!-,%%N*G!+3;!@+,*$%*9!F*!*2-$G!-0+*1+:!+3;!@+,43% A,%:+1%;!+-146414%*!+,%! 4@/0,1+31!10!1$%!M1+1%H*!%-030@?G!D01$!43!1,+;41403+:!*%-10,*!7%9=9 G!102,4*@G!>4*$%,4%*G!$+Q+,;!,%*4:4%3-%G! +3;!@+,43%!$%,41+=%<G!+3;!43!%@%,=43=!+,%+*!7%9=9 G!0-%+3!%3%,=?!+3;!@+,43%!D401%-$30:0=?<9 !&'(!m?*1%@!,%*%+,-$%,*!+,%!:%+;%,*!43!+,%+*!*2-$!+* !-0+*1+:!$+q+,;*! @0;%:43= !+3;!/,01%-1403G! @+,43%! d401%-$30:0=?G! *%+>00;!1% -$30:0=?G!0-%+3!%3%,=?G!+3;!01$%,* 9!51!4*!43-2@D%31!03!&’(!43*14121403*!10!D%! +1!1$%!>0,%>,031!0>!-0+*1+:!+3;!@+,43%!*-4%3-%!,%*%+,-$9! !!!

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The number of pages within the document is: 6

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2019-01-31 22:16:20.102137

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The number of pages within the document is: 8

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Joerg Weyermann, Dirk Lochmann, Andreas Zimmer

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2019-01-31 21:28:26.133227

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A practical note on the use of cytotoxicity assays. Joerg Weyermann, Dirk Lochmann, Andreas ZimmerPublished in International journal of pharmaceutics 2005 DOI:10.1016/j.ijpharm.2004.09.018 In this study, four cytotoxicity detection assays and four cytotoxic mechanisms were compared in one cellular system. Cellular responses and their effects were characterized. The assays used are based on different modes of detection like LDH release, MTT metabolism, neutral red uptake and the ATP content of treated cells. As cytotoxic mechanisms were used the model agents triton X-100, chloroquine and sodium azide (which are common in cell culture) as well as an ion channel (NMDA) mediated excitotoxicity cell death (which is specific for the cell line used). We found major differences in the calculated EC(50)-values for the cytotoxic effect of choroquine (0.1 up to 200 mM) and for sodium azide (4 up to 1300 mM) depending on the assay used. Therefore, it is important to choose a suitable cytotoxicity assay depending on the supposed cell death mechanism. As this study compares the strengths and weaknesses of the most common assays, it can help to find the appropriate one.

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The number of pages within the document is: 33

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David W. Schwenke and Donald G. Truhlar

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2019-01-22 00:45:51.723656

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CONVERGED CALCULATIONS OF ROTATIONAL EXCITATION AND v-v ENERGY TRANSFER IN THE COLLISION OF TWO MOLECULES David W. Schwenke and Donald G. Truhlar Department of Chemistry and Supercomputer Institute University of Minnesota Minneapolis, Minnesota 55455, U.S.A. ABSTRACT We present the results of large-scale quantum mechanical calculations of state-to-state transition probabilities for the collision of two hydrogen fluoride molecules. We use a potential energy surface obtained by adding a vibrational dependence to the interaction potential of Alexander and DePristo, and we consider zero total angular momentum. Wehave calculated converged transition probabilities for rotational energy transfer in the rigid rota tor approximation and for vibration-to-vibration energy transfer in calculations including full vibration-rotation coupling. The V-V calculations include up to 948 coupled channels. Final production runs were carried out with a highly vectorized code on the University of Minnesota Cyber 205 and Cray-l computers; earlier test runs were carried out as weIl on a Cray Research X-MP/48 machine. 1. INTRODUCTION In molecular quantum mechanics the amount of effort required to treat problems involving systems with two, three, or four atoms increases enormously as each atom is added to the system. The present status in molecular scattering theory is that atom-atom collisions may be treated routinely and atom-diatom collisions may be treated only with great difficulty unless one makes dynamical approximations or artificially restricts or eliminates one or more coordinates.! Exact treatments of four-atom systems are generally considered to lie “beyond the state of the art.” Encouraged by the great computational enhancements afforded by the class VI computers (Le., vector pipeline machines like the Cray-l, the Control Data Corporation Cyber 205, and the Cray X-MP series), we have embarked on a quest to obtain converged results for a prototype diatom-collision. Although it is not the simplest such system we chose HF-HF as the prototype for study. The basic reasoning behind this choice of system is as folIows. First, the number of internal states involved is much smaller for hydrides than nonhydrides. Second, among collisions of hydrides the HF-HF system has been most widely studied experimentally.2 In fact the HF-HF system may even be considered the experimental prototype for vibration-to-vibration (V-V) energy transfer, and V-V energy transfer in turn is the dominant energy relaxation mechanism under most conditions where such relaxation is of interest. Furthermore, there have been several studies of the HF-HF potential energy surface,3 and a knowledge of the potential energy surface is aprerequisite for a dynamics calculation.

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The number of pages within the document is: 83

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Kreevoy and Truhlar

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2019-01-22 00:45:31.157902

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The number of pages within the document is: 16

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Allison, et al. (Donal G. Truhlar)

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2019-01-22 00:47:45.725470

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Preliminary account of relevant reactions, which includes a new potential energy surface, variational transition state theory and semiclassical tunneling calculations for both reactions and for other isotopomeric cases, and accurate quantum dynamical calculations of rate constants and state-to-state integral and differential cross sections.

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The number of pages within the document is: 3

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Ronald Ragan

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2019-01-29 22:37:04.725468

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HIGH POINT UNIVERSITY 833 MONTLIEU AVENUE , HIGH POINT , NORTH CAROLINA 27262 (336) 841-9000 WWW.HIGH POINT .EDU Job Title: Assistant/Associate Professor of Basic Pharmaceutical Sciences (Pharmaceutical Chemistry, Tenure track) Department: 100% BPS Department Initial Start Date: June 1, 201 5 Job Title : Pharmaceutical Chemist Department : Basic Pharmaceutical Sciences Position Reports To: Chair of Basic Pharmaceutical Sciences FLSA: Non-Exempt Date of Last Revision : 1/12/2015 POSITION SUMMARY: The person in this position is responsible for teaching PhamD students, developing a funded research program and providing service at the University and in the greater High Point area . QUALIFICATIONS: Education: ¥ Ph.D. in Pharmaceutics, Pharmaceutical Chemistry, Chemical Engineering Analytical Chemistry or related f ield. ¥ A minimum of two years of postdoctoral experience Experience and Training: ¥ 1-2 years of relevant medical or pharmacy academic teaching experience. ¥ Minimum of two years of medicinal or pharmaceutical chemistry experience. ¥ Experience in the following: Assessment of chemical and physical properties of natural and synthetic materials in order to develop or regulate medicinal products, development of drug formulations, pharmaco -engineering. ¥ Expertise in one of the following are as: drug delivery, drug formulation, chemoinformatics, PK/PD, pharmacogenomics/proteomics, toxicokinetics or combinatorial chemistry. ¥ Preferred areas of interest include, but are not limited to neuroscience, infectious diseases and inflammatory diseases. Knowledge, Skills, Ability: ¥ Excellent verbal and written communication and computer skills. ¥ Ability to multi -task and work cooperatively with others . ¥ Excellent verbal and written communication and computer skills ¥ Ability to multi -task and work cooperative ly with others ¥ Knowledge of modern organic synthetic methods, purification and compound analysis by spectrometric methodologies. Perform the design, synthesis, purification and identification of compounds for drug discovery and development. Demonstrate co mpetency in several aspects of practical organic chemistry

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The number of pages within the document is: 37

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Elizabeth Guilbeau

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2019-01-23 00:47:42.169603

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DEPARTMENT OF BIOMEDICAL ENGINEERING TULANE UNIVERSITY Biomedical Engineering Undergraduate Research and Design Conference Conference Proceedings April 18, 2009

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The number of pages within the document is: 22

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Pamela Silver

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2019-01-30 22:34:54.021884

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Harvard University Bioengineering Engineering Biology for the 21 st Century A Plan for Bioengineering at Harvard INTRODUCTION: BROAD VISION Biology increasingly offers inspiration for engineering: living systems are robust to changing environments, can produce materials and structures that are far outside the current scope of nanotechnology, efficiently capture energy directly from the sun, transform pollutants into innocuous substances, and self-organize in many non-trivial ways. At the same time, ideas and tools embodied in physical and computer scie nces are being brought to bear upon important challenges in biology, and engineering can provide a formal platfo rm by which to bring rigor and quantification to physiology and me dicine. There is enormous potential for the transformation of bioengineering into a discipline directed toward synthesis of technologies that can have profound impact on human well-being and the future of th e planet. Bioengineering is also an exciting, deeply interdisciplinary, intellectual area that naturally integrates physical, life and information sciences. The absence of a defined Program in Bioengineering at Harvard deprives numerous students of a formal curriculum in this area, marginalizes the University in one of the major growth areas in science and health policy and limits the development of the discipline. The committee (see Appendix 1) heard of the demand to create a Bioengineering Program from students, fellows and faculty and strongly and unanimously endor sed the foundation of research and education initiatives in bioengineering. Harvard has a unique opportunity to create a program that will define bioengineering for the 21st century. We envision the Harvard University Bioengineering initiative to become a hub and a worldwide focal point of pedagogy and collaborative and translational research of life scientists and engineers working together. Th e University will bring together its schools of engineering, medicine, law, business and pub lic healthcare and polic y, to create a unique interschool bioengineering program. Such a program will lead to fundamental advances in biology, medicine and biomimetic engineering and could have an enormous impact on the well- being of the planet and the nation’s economic co mpetitiveness. Societal problems that may only be finally solved through bioengineering include an effective approach to bioenergy, using photosynthesis to directly capture and store energy in useable forms; purification of water and land using plants and microbes to detoxify comp romised sources, new appr oaches to increasing the food supply and more powerful, cheaper and globally enabled healthcare. Major intellectual threads include abstracting concepts of life to use in non-living systems, and applying engineering concepts to the design of living systems, the question of what actually constitutes life, the creation of functional hybrids between living and non-living systems, and the re- conceptualization of biology as an information science (Fig. 1).

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