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  • pt. B, 2007 Springer
    pt. A. Structure and mechanisms -- pt. B. Reactions and synthesis.
  • What Is Light? -- The Interaction Between Light and Matter -- Light Sources -- Examinations with Light -- Ultrasound Diagnostics -- Further Imaging Procedures -- Interventions with Laser Light -- Some History of Chemistry -- Oxygen -- Water -- Carbon Dioxide (CO2) -- Nitric Oxide -- Redox Reactions -- DNA -- RNA -- Proteins -- Lipids -- Matter: Using Water as an Example -- If You Are Interested in More ... -- Appendix: Units and Constants.
  • "... provides an established, recognized, authoritative and comprehensive source on medicinal chemistry and drug discovery and development. This flagship reference for medicinal chemists and pharmaceutical professions has been thoroughly updated and expanded across 8 volumes to incorporate the entire process of drug development (preclinical testing, clinical trials, etc.) alongside the traditional strengths in medicinal chemistry and drug discovery"--Provided by publisher.
  • Chapter 1 Ceramic Membranes and Membrane Processes, p. 1-20 -- Chapter 2. Preparation of Ceramic Membranes, p. 21-57 -- Chapter 3. Characterization of Ceramic Membranes, p. 59-95 -- Chapter 4. Transport and Separation of Gases in Porous Ceramic Membranes, p. 97-134 -- Chapter 5. Ceramic Hollow Fibre Membrane Contactors for Treatment of Gases/Vapours, p. 135-168 -- Chapter 6 Mixed Conducting Ceramic Membranes for Oxygen Separation, p. 169-215 -- Chapter 7. Mixed Conducting Ceramic Membranes for Hydrogen Permeation, p. 217-243 -- Chapter 8. Ceramic Membrane Reactors, p. 245-298.
  • Ch. 1. Hydrocarbons -- ch. 2. Alcohols and phytosterols -- ch. 3. Aldehydes and ketones -- ch. 4. Carboxylic acids -- ch. 5. Esters -- ch. 6. Lactones -- ch. 7. Anhydrides -- ch. 8. Carbohydrates and their derivatives -- ch. 9. Phenols and quinones -- ch. 10. Ethers -- ch. 11. Nitriles -- ch. 12. Acyclic amines -- ch. 13. Amides -- ch. 14. Imides -- ch. 15. N-nitrosamines -- ch. 16. Nitroalkanes, nitroarenes, and nitrophenols -- ch. 17. Nitrogen heterocyclic components -- ch. 18. Miscellaneous components -- ch. 19. Fixed and variable gases -- ch. 20. Metallic and nonmetallic elements, isotopes, ions, and salts -- ch. 21. Pesticides and growth regulators -- ch. 22. Genes, nucleotides, and enzymes -- ch. 23. Hoffmann analytes -- ch. 24. Tobacco and/or tobacco smoke components used as tobacco ingredients -- ch. 25. Pyrolysis -- ch. 26. Carcinogens, tumorigens, and mutagens vs. anticarcinogens, inhibitors, and antimutagens -- ch. 27. Free radicals -- ch. 28. Summary.
  • 2006 MyiLibrary
  • Chemical library design 2011
    Springer Protocols
    Historical overview of chemical library design / Roland E. Dolle -- Chemoinformatics and library design / Joe Zongxiang Zhou -- Molecular library design using multi-objective optimization methods / Christos A. Nicolaou and Christos C. Kannas -- A scalable approach to combinatorial library design / Puneet Sharma, Srinivasa Salapaka, and Carolyn Beck -- Application of Free-Wilson selectivity analysis for combinatorial library design / Simone Sciabola ... [et al.] -- Application of QSAR and shape pharmacophore modeling approaches for targeted chemical library design / Jerry O. Ebalunode, Weifan Zheng, and Alexander Tropsha -- Combinatorial library design from reagent pharmacophore fingerprints / Hongming Chen, Ola Engkvist, and Niklas Blomberg -- Docking methods for structure-based library design / Claudio N. Cavasotto and Sharangdhar S. Phatak -- Structure-based library design in efficient discovery of novel inhibitors / Shunqi Yan and Robert Selliah -- Structure-based and property-compliant library design of 11[beta]-HSD1 adamantyl amide inhibitors / Genevieve D. Paderes ... [et al.] -- Design of screening collections for successful fragment-based lead discovery / James Na and Qiyue Hu -- Fragment-based drug design / Eric Feyfant ... [et al.] -- LEAP into the Pfizer Global Virtual Library (PGVL) space : creation of readily synthesizable design ideas automatically / Qiyue Hu ... [et al.] -- The design, annotation, and application of a kinase-targeted library / Hualin Xi and Elizabeth A. Lunney -- PGVL hub : an integrated desktop tool for medicinal chemists to streamline design and synthesis of chemical libraries and singleton compounds / Zhengwei Peng ... [et al.] -- Design of targeted libraries against the human Chk1 kinase using PGVL hub / Xengwei Peng and Qiyue Hu -- GLARE : a tool for product-oriented design of combinatorial libraries / Jean-François Truchon -- CLEVER : a general design tool for combinatorial libraries / Tze Hau Lam ... [et al.].
  • Brief history and use of chemical warfare agents in warfare and terrorism / Harry Salem, Andrew L. Ternay, Jr., and Jeffery K. Smart -- The chemistry of chemical warfare agents / Peter Kikilo, Vitaly Fedorenko, and Andrew L. Ternay, Jr. -- Chemical warfare agent threat to drinking water / Harry Salem ... [et al.] -- Health effects of low-level exposure to nerve agents / John H. McDonough and James A. Romano, Jr. -- Toxicokinetics of nerve agents / Marcel J. van der Schans, Hendrik P. Benschop, and Christopher E. Whalley -- Application of genomic, proteomic, and metabolomic technologies to the development of countermeasures against chemical warfare agents / Jennifer Sekowski and James Dillman -- Novel approaches to medical protection against chemical warfare nerve agents / Ashima Saxena ... [et al.] -- Nerve agent bioscavengers : progress in development of a new mode of protection against organophosphorus exposure / David E. Lenz ... [et al.] -- Butyrylcholinesterase and its synthetic C-terminal peptide confer in-vitro suppression of amyloid fibrils formation / Erez Podoly ... [et al.] -- A novel medical countermeasure for organophosphorus intoxication : connection to Alzheimer's disease and dementia / Edna F. R. Pereira ... [et al.] -- Inhalation toxicology of nerve agents / Paul A. Dabisch ...[et al.] -- Vesicants and oxidative stress / Milton G. Smith ...[et al.] -- Health effects of exposure to vesicant agents / Charles G. Hurst and William J. Smith -- Cyanides : toxicology, clinical presentation, and medical management / Bryan Ballantyne and Harry Salem -- Chemicals used for riot control and personal protection / Harry Salem, Bryan Ballantyne, and Sydney Katz -- Mechanism of action of botulinum neurotoxin and overview of medical countermeasure development for intoxication / Michael Adler ... [et al.] -- Ricin and related toxins : review and perspective / Charles B. Millard and Ross D. LeClaire -- Screening smokes : applications, toxicology, clinical considerations and medical management / Bryan Ballantyne and Harry Salem -- Clinical detection of exposure to chemical warfare agents / Benedict R. Capacio ... [et al.] -- Personal protective equipment (ppe) : practical and theoretical considerations / Michael R. Jones -- Chemical warfare agent decontamination from skin / Brian J. Lukey ... [et al.] -- Chemical warfare, chemical terrorism, and traumatic stress responses : an assessment of psychological impact / James A. Romano, Jr. ... [et al.] -- Emergency response to a chemical warfare agent incident : domestic preparedness, first response, and public health considerations / David H. Moore and Barbara Saunders-Price -- Emergency medical response to a chemical terrorist attack / Stephen A. Pulley and Michael R. Jones.
  • Abstraction -- Accident -- Accuracy -- Acid -- Adsorption -- Aesthetic -- Affinity -- Age -- Air -- Alchemy -- Ambition -- Analogy -- Analysis -- Analyst -- Answer -- Apparatus -- Approximate -- Atom -- Atomic weight -- Authority -- Average -- Balance -- Beauty -- Biochemistry -- Book -- Bubble -- Calculation -- Candle -- Cause and effect -- Central limit theorem -- Chance -- Chaos -- Chemical -- Chemical affinities -- Chemical engineer -- Chemical limericks -- Chemical mnemonics -- Chemist -- Chemistry -- Chemistry and life -- Chemistry and medicine -- Chemistry songs -- Classroom emanations -- Commandments -- Common sense -- Communication -- Compound -- Concept -- Confusion -- Cosmochemistry -- Creativity -- Criticism -- Crystal -- Crystallography -- Curiosity -- Data -- Definition -- Demonstration -- Difference -- Discovery -- Disorder -- Distill -- Electron -- Element -- Energy -- Energy state -- Enzyme -- Error -- Ethics -- Experience -- Experiment -- Experimenter -- Explain -- Fact -- Faith -- Fermentation -- Filter -- Fire -- Fluorochemistry -- Force -- Forecast -- Formula -- Fractal -- Gas -- Generality -- Genius -- Geochemistry -- Glassware -- God -- Graph -- Guess -- Heat -- History -- Hypothesis -- Idea -- Ignorance -- Imagination -- Impossible -- Improbable -- Independence -- Inference -- Information -- Inorganic -- Instrument -- Ion -- Knowledge -- Laboratory -- Language -- Law -- Learn -- Life -- Literature -- Little Willie -- Magic -- Mathematics -- Matter -- Measurement -- Mechanics -- Metal -- Metaphor -- Metaphysics -- Method -- Microscope -- Model -- Molecule -- Motion -- Mystery -- Naivete -- Name -- Nature -- Nomenclature -- Notation -- Null hypothesis -- Numbers -- Observation -- Occam's razor -- Opinion -- Order -- Organic -- Outlier -- Paradox -- Periodic law -- Philosophy -- Physical science -- Plagerism -- Pollution -- Postulate -- Prayer -- Precision -- Prediction -- Probability -- Problem -- Progress -- Proposition -- Publication -- Purity -- Purpose -- Question -- Radical -- Random -- Reaction -- Reason -- Research -- Results -- Rust -- Salt -- Science -- Scientific -- Scientist -- Silver trees -- Simplicity -- Solid -- Soluble -- Solution -- Speculation -- Statistical -- Statistician -- Statistics -- Symbol -- Symmetry -- Synthesis -- Teaching -- Terminology -- Theorist -- Theory -- Thermodynamics -- Thought -- Trial and error -- Truth -- Uncertainty -- Understand -- Unexpected -- Unknown -- Vacuum -- Vision -- Volume -- Water -- Wisdom -- Word -- Work -- Writing -- X-rays.
  • "Natural products play crucial roles in modern drug development and constitute a prolific source of novel lead compounds or pharmacophores for ongoing drug discovery programs. Chemistry and Pharmacology of Naturally Occurring Bioactive Compounds presents cutting-edge research in the chemistry of bioactive natural products and demonstrates how natural product research continues to make significant contributions in the discovery and development of new medicinal entities."--Page [4] of cover.
  • Chapter 1. Fundamentals of Peptide Synthesis -- Chapter 2. Methods for the Formation of Peptide Bonds -- Chapter 3. Protectors and Methods of Deprotection -- Chapter 4. Chirality in Peptide Synthesis -- Chapter 5. Solid-Phase Synthesis -- Chapter 6. Reactivity, Protection and Side Reactions -- Chapter 7. Ventilation of Activated Forms and Coupling Methods -- Chapter 8. Miscellaneous.
  • Also available: Print – 2002/03.
  • My graduate studies have focused on the design, synthesis, and biological evaluation of novel probe and drug delivery technologies. This research has explored the development of new molecular transporter scaffolds with a focus on step economy and translational costs as well as evaluation of their uptake and delivery properties in cells and animals. Chapter 1 provides a historical context and overview of guanidinium-rich molecular transporter technology. Chapter 2 describes the development of a new family of guanidinium-rich oligocarbonate molecular transporter which are flexibly and efficiently assembled by a one-step oligomerization strategy. These novel oligocarbonate transporters were shown to exhibit excellent uptake properties both in cells and animal models. Chapter 3 is directed at the utility of an oligomerization approach to generate molecular transporters by the design, synthesis, and evaluation of new aphipathic co-oligomers for the delivery of siRNA, an oligonucleotide cargo of intense therapeutic interest. Amphipathic carbonate co-oligomers were prepared by an oligomerization strategy and demonstrated to effectively package, deliver, and release functional siRNA in cells. Chapter 4 describes the effects of a branched guanidinium array on the transport and delivery efficiency of releasable dendrimeric guanidinium-rich transporters. These transporters were synthesized and demonstrated to deliver and release a small molecule for turnover by its intracellular target enzyme by bioluminescence assays in cells and transgenic animal models. Chapter 5 describes the design, synthesis, and preliminary biological evaluation of lipidated molecular transporter derivatives of the immunosuppressant drug rapamycin for topical delivery.
  • Many cellular processes including cell-cell communications and regulated membrane transport are mediated by membrane proteins and depend upon the ability of lipid membranes to be a differentially permeable barrier. However, the roles and function of membrane proteins are often difficult to study due to the complexity of the native membranes and lack of reliable and flexible artificial model lipid membranes. Supported lipid bilayers (SLB) have been used as a model system to study biological membrane behavior and the structure and function of membrane proteins and receptors in a simpler context apart from the complex cellular environment. Although SLBs have the advantages of simple formation, easy handling and are well-suited for investigation by a suite of surface sensitive methods due to their planar geometry, the close proximity of the lower leaflet to the solid support often leads to unfavorable interactions with integral membrane proteins. This causes distortion of the protein conformation and possible loss of its reactivity and function. Moreover, this interaction with the substrate often traps proteins and reduces their mobility in the membranes. Recognizing this limitation, we have developed a new model membrane architecture in which the DNA-tethered lipid bilayer is either to fixed DNA on a surface or to laterally mobile DNA displayed on a supported bilayer. This separates the lipid membranes from surface interactions and provides a more favorable environment for integral membrane protein with large globular domains. With mobile DNA hybrid tethers, stable tethered bilayers were made with specific lipid composition, while those with fixed tethers are stable regardless of membrane composition. The mobile tethers between a tethered and a supported lipid bilayer offer a particularly interesting architecture for studying the dynamics of membrane-membrane interactions. By careful choice of composition, improved stability was obtained and we can investigate the lateral segregation of DNA hybrids when different lengths are present. Based on a theoretical model, the effects of population, length and affinity of DNA complexes are simulated and described. This model system captures some of the essential physics of synapse formation and is a step toward understanding lipid membrane behavior in a cell-to-cell junction. To demonstrate the excellent environment provided by DNA-tethered membranes for studying transmembrane proteins free from any surface interactions, the behavior of a transmembrane protein, the photosynthetic reaction center, reconstituted in the DNA-tethered membranes is investigated. Inspired by DNA-mediated membrane fusion studies of our group, we applied the DNA-machinery to achieve fusion of small (~ 100 nm) proteoliposomes for delivery of membrane proteins to either giant vesicles or DNA-tethered planar lipid membrane patches. The diffusion behavior of delivered proteins is measured and compared with those in supported bilayers. Also, the protein activity and orientation before and after fusion is analyzed. This will offer a feasible method to incorporate intact membrane proteins to already formed model membranes. In addition, the behavior of proteins during the fusion event will provide insight into the mechanism of DNA-mediated lipid membrane fusion. The geometry of our model membrane system directly mimics that of a neuronal synapse. We expect that this architecture will be readily transferable to other model membrane fusion systems, including systems using reconstituted SNARE proteins. Consequently, it will be of considerable interest to a wide range of researchers.
  • The development of live cell RNA imaging techniques will lead to the unraveling of many important biological processes. To achieve this goal, there have been three different strategies developed. They are the development of small molecule probes, nucleic acid probes, and green fluorescent protein (GFP) probes. In the following thesis, the pros and cons of each approach are discussed, followed by a proposal to resolve the limitations. In the small molecule case, a probe was developed that utilized a quenched sulforhodamine dye. It was designed so that its structure can be rationally modified from the initial lead compound. An aptamer sequence that activates the sulforhodamine probe with micro molar affinity was found by in vitro Systematic Evolution of Ligands by Exponential Enrichment (SELEX), followed by fluorescence screening in E.coli. The rational modification of the structure of the initial sulforhodamine probe resulted in an overall 33-fold increase in binding affinity compared to the initial lead compound. Instead of the chemical modification of the lead compound, the small molecule's cell permeability and binding affinity to the target could be improved by linking to cell penetrating peptides (CPP). A CPP is a short peptide sequence composed of poly arginine amino acids which shows excellent cell uptake and affinity to RNA. However, the use of the CPP-linked dye in live cell imaging has been limited by strong signals in the endosome region. An attempt was made to overcome this difficulty by linking a quencher molecule to the dye-CPP via a disulfide bond, which only breaks when it enters the cytosol. For the nucleic acid probe, the major problem was its low cell permeability and low signal-to-background ratio due to the low copy number of mRNA targets within the cell. We made mutant Hammerhead ribozymes and embedded them in a non-coding region of the GFP expression vector that can be transfected to mammalian cells. This modified Hammerhead ribozyme acts as a logic gate, and the signal is amplified by the expression of GFP in the presence of the target mRNA. In vitro and in vivo results are discussed. Finally, a fragmented GFP system, the fluorescence of which could be recovered by binding to a specific RNA tag, was developed. The major problem for the GFP-mediated RNA imaging system was the low signal-to-background ratio from the GFP probe that is not bound to the RNA tag. To find the non-fluorescent GFP, the GFP was truncated from the C-terminus such that it loses its fluorescence with minimum loss of amino acids. An RNA sequence that has high affinity to this GFP was found by in vitro SELEX. The subsequent E.coli screening found an RNA sequence that reactivates the fluorescence of the GFP probe.
  • Fluorescence microscopy is one of the most widely used tools in cell biology due its intrinsically high detection sensitivity coupled with the ability to genetically label proteins and other cellular structures with fluorescent tags. However, the resolution of fluorescence microscopy has historically been limited to about 200 nm laterally and 800 nm axially because of the diffraction limit of visible light. In the past five years, imaging below the diffraction limit ("super-resolution imaging") by localizing single fluorophores, one at a time (1-3), has opened a wide a variety of new biological systems for study. This Dissertation is a collection of both techniques for two and three dimensional super-resolution imaging as well as applications in bacterial and yeast imaging. References 1. Betzig E, et al (2006) Imaging intracellular fluorescent proteins at nanometer resolution. Science 313: 1642-1645. 2. Hess ST, Girirajan TPK & Mason MD (2006) Ultra-high resolution imaging by fluorescence photoactivation localization microscopy. Biophys J 91: 4258-4272. 3. Rust MJ, Bates M & Zhuang X (2006) Sub-diffraction-limit imaging by stochastic optical reconstruction microscopy (STORM). Nat Methods 3: 793-795.
  • CLC chloride channels and transporters play diverse physiological roles in processes ranging from regulating bone-density, muscle excitability, and blood pressure, to facilitating extreme-acid survival of pathogenic bacteria. Defects in CLC proteins cause human disorders in these processes. Small-molecule inhibitors of the CLCs would be useful as drugs for treating a variety of CLC-related human diseases and also to investigate CLC physiology. In addition, inhibitors are powerful tools for studying molecular mechanisms of Cl-- gating. Trapping channels or transporters in particular conformational states with high-affinity ligands could potentially advance our understanding of the structural basis for CLC activity. Despite their usefulness, specific small-molecule inhibitors for CLC proteins are scarce. To address this shortfall, we have exploited the 4,4'-diisothiocyanatostilbene-2,2'-disulfonic acid (DIDS) scaffold to develop two novel classes of CLC inhibitors. DIDS has been used as an anion-transport inhibitor for decades and was first used to inhibit CLCs over 30 years ago. However, experiments to determine the compound's mode of inhibition led us to discover that minor contaminants in the DIDS solutions inhibit CLC proteins more effectively than DIDS itself. The contaminants were found to derive from hydrolysis of the labile isothiocyanate moieties. The structures of five major hydrolysis products were determined by 1H NMR, HRMS analysis, and chemical synthesis to be DIDS-based polythioureas. These compounds bind directly to the CLC proteins, as evidenced by the fact that they inhibit purified, reconstituted ClC-ec1 and that inhibition of ClC-Ka can be prevented by the point mutation N68D. These polythioureas are the highest affinity inhibitors known for the CLCs and provide a new class of chemical probes for dissecting the molecular mechanisms of chloride transport. The second class of identified CLC inhibitors combines the DIDS core structure with alkyl chain carboxylic acids. The most potent inhibitor identified, 4,4'-octanamidostilbene-2,2'-disulfonic acid (OADS), inhibits ClC-ec1 with an apparent affinity of 29 [Mu]M. As a means to identify the inhibitor-binding site, we synthesized photo-reactive diazirine derivatives of OADS and showed that these photo-affinity reagents specifically inhibit ClC-ec1. Experiments to identify the binding site using 'top-down' mass spectrometry, in which the protein is cleaved into peptide fragments via electron-capture dissociation, have identified an intracellular binding region encompassing 76 amino acids, or 16% of the protein. Current efforts using protease digestion procedures are focused on further refinement of the binding region. Once located, protein/inhibitor interactions gleaned from the labeling of ClC-ec1 could allow us to rationally design more potent inhibitors of CLC transporters and channels.
  • Contains a database of approximately 70,000 reactions and 4000 of the most frequently consulted reagents. Fully searchable by structure and sub-structure, reagent, reaction type, experimental conditions, and keyword. Also includes a searchable interface: Acronym finder (an interface for Scientific and technical acronyms, symbols, and abbreviations).
  • The bryostatins are a family of structurally complex natural products isolated from the marine bryozoan Bugula neritina. Bryostatin 1 is currently being investigated for cancer, Alzheimer's and HIV/AIDS indications. Despite these remarkable activities, research on the bryostatins is hampered by their low natural abundance. Efficient access by total chemical synthesis has been in large part precluded by the bryostatins' structural complexity. This dissertation describes the design, synthesis, and preliminary biological evaluation of functional bryostatin analogs that possess biological activities comparable or superior to the natural product. These fully synthetic analogs were convergently assembled in a uniquely step-economical manner using novel macrocyclization strategies, including macroacetalization and Prins-driven macrocyclization approaches. Bryostatin analogs were identified that possess unique affinities (subnanomolar) and selectivities for protein kinase C (PKC). Synthetic bryostatin analogs also exhibit subnanomolar antileukemic activity in in vitro assays. The convergent total synthesis of bryostatin 9, a highly potent congener of the natural product family, is also described.
  • Print Material
  • Part I. The Basics -- Working with Excel -- Creating charts: an introduction -- Part II. Advanced spreadsheet topics -- Creating advanced worksheet formulas -- Creating array formulas -- Advanced charting techniques -- Using Excel's database features -- Importing data into Excel -- Adding controls to a spreadsheet -- Part III. Spreadsheet mathematics -- Some mathematical tools for spreadsheet calculations -- Graphical and numerical methods of analysis -- Linear regression -- Non-linear regression using te solver -- Part IV. Excel visual basic macros -- Visual basic for applications: an introduction -- Programming with VBA -- Creating command macros -- Creating custom functions -- Creating custom menus and menu bars -- Creating custom toolbuttons and toolbars -- Part V. Some applications -- Analysis of solution equilibria -- Analysis of spectrophotometric data -- Calculation of binding constants -- Analysis of kinetics data -- Part VI. Appendices ...
  • The number of reports per year on single-molecule imaging experiments has grown roughly exponentially since the first successful efforts to optically detect a single molecule were completed over two decades ago. Single-molecule spectroscopy has developed into a field that includes a wealth of experiments at room temperature and inside living cells. The fast growth of single-molecule biophysics has resulted from its benefits in probing heterogeneous populations, one molecule at a time, as well as from advances in microscopes and detectors. There is a need for new fluorophores that can be used for single-molecule imaging in biological media, because imaging in cells and in organisms require emitters that are bright and photostable, red-shifted to avoid pumping cellular autofluorescence, and chemically and photophysically tunable. To this end, we have designed and characterized fluorescent probes based on a class of nonlinear-optical chromophores termed DCDHFs. This dissertation describes various physical and optical studies on these emitters, from sensing local environment to photoactivation. Chapter 1 is a general introduction to fluorescence and single-molecule spectroscopy and imaging. Single-molecule experiments in living cells are discussed and probes used for such experiments are summarized and compared. Chapter 2 explores the basic photophysics of the DCDHF fluorophores and some general methods of measuring relevant spectroscopic parameters, including photostability. Chapter 3 discusses the various approaches we have taken to modify particular properties by changing the fluorophore's structure. We have redesigned the DCDHF fluorophore into a photoactivatable fluorogen -- a chromophore that is nonfluorescent until converted to a fluorescent form using light -- described in Chapter 4. Finally, a different, chemical route to fluorescence activation is presented in Chapter 5. The remainder of the Dissertation is the Appendix and a full Bibliography. The Appendix includes a table of photophysical parameter for DCDHF fluorophore, various protocols used in the experiments discussed, MatLab codes, and NMR spectra.
  • ch. 1. The Building Blocks of Our World, p. 1-30 -- ch. 2. Small Organic Molecules, p. 31-55 -- ch. 3. Introduction to the Science of Giant Molecules, p. 57-93 -- ch. 4. Relationships Between the Properties and Structure of Giant Molecules, p. 95-112 -- ch. 5. Physical and Chemical Testing of Polymers, p. 113-132 -- ch. 6. Thermoplastics, p. 133-181 -- ch. 7. Engineering Plastics, p. 183-208 -- ch. 8. Thermosets, p. 209-227 -- ch. 9. Fibers, p. 229-250 -- ch. 10. Rubbers (Elastomers, p. 251-274 -- ch. 11. Paints, Coatings, Sealants, and Adhesives, p. 275-291 -- ch. 12. Composites, p. 293-305 -- ch. 13. Nature's Giant Molecules: The Plant Kingdom, p. 307-327 -- ch. 14. Nature's Giant Molecules: The Animal Kingdom, p. 329-363 -- ch. 15. Derivatives of Natural Polymers, p. 365-378 -- ch. 16. Inorganic Polymers, p. 379-403 -- ch. 17. Specialty Polymers, p. 405-423 -- ch. 18. Additives and Starting Materials, p. 425-444 -- ch. 19. The Future of Giant Molecules, p. 445-453 -- Appendix 1. Studying Giant Molecules, p. 455-457 --. Appendix 2. Electronic Web Sites, p. 459-461.
  • Chapter 1. Representing Two-Dimensional (2D) Chemical Structures with Molecular Graphs / Ovidiu Ivanciuc -- Chapter 2. Algorithms to Store and Retrieve Two-Dimensional (2D) Chemical Structures / Milind Misra, Jean-Loup Faulon -- Chapter 3. Three-Dimensional (3D) Molecular Representations / Egon L. Willighagen -- Chapter 4. Molecular Descriptors / Nikolas Fechner, Georg Hinselmann, Jor̈g Kurt Wegner -- Chapter 5. Ligand- and Structure-Based Virtual Screening / Robert D. Clark, Diana C. Roe -- Chapter 6. Predictive Quantitative Structure-Activity Relationships Modeling: Data Preparation and the General Modeling Workflow / Alexander Tropsha, Alexander Golbraikh -- Chapter 7. Predictive Quantitative Structure-Activity Relationships Modeling: Development and Validation of QSAR Models / Alexander Tropsha, Alexander Golbraikh -- Chapter 8. Structure Enumeration and Sampling / Markus Meringer -- Chapter 9. Computer-Aided Molecular Design / Donald P. "Visco, Jr." -- Chapter 10. Computer-Aided Molecular Design / Diana C. Roe -- Chapter 11. Reaction Network Generation / Jean-Loup Faulon, Pablo Carbonell -- Chapter 12. Open Source Chemoinformatics Software and Database Technologies / Rajarshi Guha -- Chapter 13. Sequence Alignment Algorithms / Tatsuya Akutsu -- Chapter 14. Machine Learning-Based Bioinformatics Algorithms / Shawn Martin -- Chapter 15. Using Systems Biology Techniques to Determine Metabolic Fluxes and Metabolite Pool Sizes / Fangping Mu, Amy L. Bauer, James R. Faeder, William S. Hlavacek.
  • Chapter 1. Polychloroprene Rubber (CR) / by Rudiger Musch & Hans Magg -- Chapter 2. Acrylonitrile Butadiene Rubber (NBR) / by Robert Klingender -- Chapter 3. Hydrogenated Nitrile Rubber (HNBR) / by Dr. Robert Keller -- Chapter 4. Fluoroelastomers, FKM, and FEPM / by Pascal Ferrandez -- Chapter 5. Polyacrylate Elastomers Properties and Applications / by Robert Klingender -- Chapter 6. Ethylene Acrylic (AEM) Elastomer Formulation Design / by Lawrence C. Muschiatti, Yun-Tai Yu, Edward McBride and Klaus Kammerer -- Chapter 7. Polyepichlorohydrin Elastomer / by Robert Klingender -- Chapter 8. Compounding with Chlorinated Polyethylene / by Ray Laakso -- Chapter 9. Chlorosulfonated Polyethylene (CSM) and Aklylated Chlorosulfonated Polyethylene (ACSM) / by Robert Klingender -- Chapter 10. Ethylene Vinyl Acetate Elastomer (EVM) (ASTM designation AEM) / by Drs. H. Meisenheimer & A. Zens -- Chapter 11. Polysulfide Elastomers / by Stephen K. Flanders & Robert Klingender - Submitted -- Chapter 12. Plasticizers, Process Oils, Vulcanized Vegetable Oils / by Peter Rand -- Chapter 13. Vulcanization Agents for Specialty Elastomers / by Robert Ohm -- Chapter 14. Antioxidants for Specialty Elastomers by Russell Mazzeo -- Chapter 15. Processing Aids for Specialty Elastomers / by Jerry M. Sherritt -- Chapter 16. Considerations in the design of a rubber formulation / by Robert Klingender -- 16A. Oil Field elastomeric Products / by Robert C. Klingender -- 16B. Life Prediction / by John Vicic -- 16C. Compression, Transfer, and Injections Molding of Specialty Elastomers / by Robert W. Keller.
  • v. 1. -- Part I. Sample preparation and sample pretreatment -- ch. 1. Collection and preparation of gaseous samples / Douglas A. Lane -- ch. 2. Sample collection and preparation of liquid and solids / Brian M. Cullum, Tuan Vo-Dinh -- Part II. Methods 1: Optical spectroscopy -- ch. 3. Basics of optical spectroscopy / Martin Hof -- ch. 4. Instrumentation / Valdas Sablinskas -- ch. 5. Measurement techniques / Gerald Steiner -- ch. 6. Applications / Valdas Sablinskas, Gerald Steiner, Martin Hof -- Part III. Methods 2: Nuclear magnetic resonance spectroscopy -- ch. 7. An Introduction to solution, solid-state, and imaging NMR spectroscopy / Leslie G. Butler -- ch. 8. Solution NMR spectroscopy / Gary E. Martin, Chad E. Hadden, David J. Russell -- ch. 9. Solid-state NMR / Steven P. Brown, Lyndon Emsley -- Part IV. Methods 3: Mass spectrometry -- ch. 10. Mass spectrometry / Michael Przybylski, Wolfgang Weinmann, Thilo A. Fligge -- Part V. Methods 4: Elemental analysis -- ch. 11. X-ray fluorescence analysis / K. Janssens -- ch. 12. Atomic absorption spectrometry (AAS) and atomic emission spectrometry (AES) / Erwin Rosenberg, Ulrich Panne -- Part VI. Methods 5: Surface analysis techniques -- ch. 13. Surface analysis techniques / A. Macková, S.A. Morton, C.G.H. Walker, K. Volka -- v. 2. -- Part VII. Applications 1: Bioanalysis -- ch. 14. Bioanalysis / Willem M. Albers, Arto Annila, Nicholas J. Goddard, Gabor Patonay, Erkki Soini -- Part VIII. Applications 2: Environmental analysis -- ch. 15. LC-MS in environmental analysis / H.Fr. Schröder -- ch. 16. Gas chromatography/ion trap mass spectrometry (GC/ITMS) for environmental analysis / Michel Sablier, Toshihiro Fujii -- Part IX. Application 3: Process control -- ch. 17. Optical spectroscopy / John Green -- ch. 18. NMR / Loring A. Weisenberger -- ch. 19. Process mass spectrometry / Christian Hassell -- ch. 20. Elemental analysis / J.S. Crighton -- Part X. Hyphenated techniques -- ch. 21. Hyphenated techniques for chromatographic detection / John C. Fetzer -- Part XI. General data treatment: data bases/spectral libraries -- ch. 22. Optical spectroscopy / Steffen Thiele, Reiner Salzer -- ch. 23. Nuclear magnetic resonance spectroscopy / Wolfgang Robien -- ch. 24. Mass spectrometry / Antony N. Davies.
  • Abbreviations -- Condensed chemical dictionary -- Appendix I: Origin of some chemical terms -- Appendix II: Highlights in the history of chemistry -- Appendix III: Manufacturers of trademarked products (alphabetical list).
  • High throughput sample preparation techniques and their application to bioanalytical protocols and purification of combinatorial libraries / Krishna Kallury -- High-throughput quantitative bioanalysis / Katty X. Wan -- Optimizing LCMS equipment to increase throughput in pharmaceutical analysis / Michael G. Frank and Douglas E. Mcintyre -- Throughput improvement of bioanalytical LC-MS/MS by sharing of detector between HPLC systems / Min Shuan Chang and Tawakol El-Shourbagy -- High throughput strategies for metabolite identification in drug discovery / Patrick J. Rudewicz, Qin Yue, and Young Shin -- Utilizing micro parallel liquid chromatography for high-throughput analyses in the pharmaceutical industry / Sergio A. Guazzotti -- Strategies and techniques for higher throughput ADME/PK assays / Walter Korfmacher -- High-throughput analysis in drug metabolism during early drug discovery / Yau Yi Lau -- High-throughput analysis in the support of process chemistry and formulation research & development in the pharmaceutical industry / Zhong Li -- On-line SPE LC/MS/MS for high throughput bioanalytical analysis / Dong Wei and Liyu Yang -- Applications of high-throughput analysis in therapeutic drug monitoring / Quanyun A. Xu and Timothy L. Madden -- High-throughput quantitative pharmaceutical analysis in drug metabolism and pharmacokinetics (DMPK) using liquid crhomatrography-mass spectrometry / Xiaohui Xu -- Designing high throughput HPLC assays for small and biological molecules / Roger K. Gilpin and Wanlong Zhou -- The advances in capillary and nano-HPLC technology for drug discovery and development / Frank J. Yang and Richard Yu -- High-throughput analysis of complex protein mixtures by mass spectrometry / Kojo S.J. Elenitoba-Johnson.
  • The enzymatic basis of flavonoid biodiversity / Ragai K. Ibrahim and Dominique Anzellotti -- Structural, functional and evolutionary basis for methylation of plant small molecules / Joseph P. Noel ... [et al.] -- Regulation of anthocyanin pigmentation / Niloufer G. Irani, J. Marcela Hernandez and Erich Grotewold -- Localization of plant myrosinases and glucosinolates / Erik Andreasson and Lise Bolt Jorgensen -- Glucosinolate hydrolysis and its impact on generalist and specialist insect herbivores / Ute Wittstock ... [et al.] -- A novel myrosinase-glucosinolate defense system in cruciferous specialist aphids / John T. Rossiter, Alexnadra M. Jones and Atle M. Bones -- Multiple levels of control in the regulation of alkaloid biosynthesis / Peter J. Facchini ... [et al.] -- Biochemistry and molecular biology of indole alkaloid biosynthesis : the implication of recent discoveries / Vincenzo de Luca -- Chemical ecology of alkaloids exemplified with the pyrrolizidines / Dietrich Ober -- The chemical wizardry of isoprenoid metabolism in plants / Bryan T. Greenhagen ... [et al.] -- The sabath family of MTS in Arabidopsis Thaliana and other plant species / John C. D'Auria, Feng Chen, Eran Pichersky -- Xochipilli updated, terpenes from Mexican plants / Edmundo Lozoya-Gloria.
  • Print Material
  • Includes risk management, enterprise resource planning, outsourcing, combinatorial synthesis and technology, functional foods, process automation, electronic chemicals, specialty silicones, mergers and acquisitions, nanoparticles, bioinformatics, ISO 14000, micron-scale chemical analysis, medical applications of biodegradable materials, product development, strategies, drug discovery strategies, chemistry of aging, single-site catalysis, custom manufacturing, and global chemical market analysis.
  • Also available: Print – 2011
    Catalysis and multi-component reactions -- Multi-component reactions in heterocyclic chemistry -- Multi-component reactions in drug discovery -- Novel reagents for multi-component reactions -- Design of multi-component reactions -- Multi-component reactions in supramolecular chemistry and material science.
  • Print Material
  • Also available: Print – 2006
  • Micellar catalysis 2007
  • Preface -- [1]. Introduction -- 2. General aspects -- 3. Stability of complexes -- 4. Lanthanide and macrocyclic complexes -- 5. Structural chemistry of lanthanide complexes -- 6. Organometallic complexes -- 7. Kinetics and mechanisms of rare earth complexation -- 8. Spectroscopy of lanthanide complexes -- 9. Photoelectron spectroscopy of rare earths -- 10. Lanthanide NMR shift reagents -- 11. Environmental, ecological, biological aspects -- 12. Applications -- Subject index.
  • ch. 1. Introduction -- ch. 2. Absorption of UV-visible light -- ch. 3. Characteristics of fluorescence emission -- ch. 4. Effects of intermolecular photophysical processes on fluorescence emission -- ch. 5. Fluorescence polarization. Emission anisotropy -- ch. 6. Principles of steady-state and time-resolved fluorometric techniques -- ch. 7. Effect of polarity on fluorescence emission. Polarity probes -- ch. 8. Microviscosity, fluidity, molecular mobility. Estimation by means of fluorescent probes -- ch. 9. Resonance energy transfer and its applications -- ch. 10. Fluorescent molecular sensors of ions and molecules -- ch. 11. Advanced techniques in fluorescence spectroscopy.
  • ch. 1. Introduction, p. 1-8 -- ch. 2. Fundamentals of Molecular Imprinting, p. 9-19 -- ch. 3. Experimental Methods (1 - Procedures of Molecular Imprinting, p. 21-45 -- ch. 4. Experimental Methods (2 - Evaluation of Imprinting Efficiency, p. 47-52 -- ch. 5. Spectroscopic Anatomy of Molecular Imprinting Reactions, p. 53-64 -- ch. 6. Flow Chart of a Typical Molecular Imprinting, p. 65-73 -- ch. 7. Applications of Molecularly Imprinted Polymers, p. 75-118 -- ch. 8. Recent Challenges and Progress, p. 119-139 -- ch. 9. Conclusions and Prospects, p. 141.
  • ch. 1. Approaches to a molecular switch using photoinduced electron and energy transfer -- ch. 2. Photoswitchable molcular systems based on diarylethenes -- ch. 3. Optoelectronic molecular switches based on dihydroazulene-Vinylheptafulvene (DHA0VHF) -- ch. 4. Molecular switches with photochromic fulgides -- ch. 5. Chiroptical molecular switches -- ch. 6. Photochemical biomolecular switches: the route to optobioelectronics -- ch. 7. Switchable catenanes and molecular shuttles -- ch. 8. Metallo-rotaxanes and catenanes as redox switches : towards molecular machines and motors -- ch. 9. Switchable molecular receptors and recognition processes : from photoresponsive crown ethers to allosteric sugar sensing systems -- ch. 10. Multistate/multifunctional molecular-level systems : photochromic flavylium compounds -- ch. 11. Molecular logic systems -- ch. 12. Liquid crystal photonics : opto-photochemical effects in photoresponsive liquid crystals -- ch. 13. Photoswitchable polypeptides.
  • ch. 1. Introduction to the nanoworld / Kenneth J. Klabunde -- ch. 2. Metals / Gunter Schmid -- ch. 3. Semiconductor nanocrystals / M.P. Pileni -- ch. 4. Ceramics / Abbas Khaleel and Ryan M. Richards -- ch. 5. Metal nanoparticles : double layers, optical properties, and electrochemistry / Paul Mulvaney -- ch. 6. Magnetism / C.M. Sorensen -- ch. 7. Chemical and catalytic aspects of nanocrystals / Kenneth J. Klabunde and Ravichandra S. Mulukutla -- ch. 8. Specific heats and melting points of nanocrystalline materials / Olga Koper and Slawomir Winecki -- ch. 9. Applications of nanocrystals / John Parker.
  • Nitric oxide. 1st ed. 2007
  • Photochemistry and photophysics of highly excited valence states of polyatomic molecules: nonalternant aromatics, thioketones, and metalloporphyrins / G. Burdzinski ... [et al.] -- Proton transfer reactions in the excited states / Haruo Shizuka and Seiji Tobita -- Photoreactivity of n,[pi]*-excited azoalkanes and ketones / Werner M. Nau and Uwe Pischel -- Photonucleophilic substitution reactions / Maurizio Fagnoni and Angelo Albini -- Mechanistic and synthetic aspects of SET-promoted photocyclization reactions of silicon substituted phthalimides / Ung Chan Yoon and Patrick S. Mariano -- Photoanimation with ammonia and amines / Masahide Yasuda ... [et al.] -- DNA-templated assembly of helical multichromophore aggregates / Bruce A. Armitage.
  • My Ph.D. work primarily involves the synthesis of ethylene-based oligomers and ethylene-styrene copolymers using organometallic catalysis. Chapter 1 reviews selective ethylene oligomerization that produces 1-hexene and 1-octene, with particular emphasis on the chromium-based catalytic systems and the mechanism by which they operate. Its application to the preparation of value-added chemicals is also covered. Chapter 2 and Chapter 3 present investigations on selective ethylene oligomerization with a Cr(PNP)Cl3/MAO catalyst system (PNP = Ph2PN(iPr)PPh2) in the presence of dialkyl zinc as an effective strategy for the co-generation of 1-octene and functionalized ethylene oligomers. Transmetallation with ZnMe2 during Cr-catalyzed ethylene tetramerization generated end-labeled 1-alkenes in Cn> 10 along with 1-octene, while that with ZnEt2 or ZnBu2 produced a mixture of end-labeled linear alkanes and 1-alkenes in Cn> 10 as well as 1-octene. Labeling studies with D2O provided a mechanistic test for metallacycle intermediates. Mechanistic proposals are presented to explain the formation of end-labeled products in the presence of various types of zinc alkyls. Chapter 4 and Chapter 5 examine a series of titanocenes [CpTiCl3, CpTiCl2TEMPO, CpNTiCl3, CpNTiCl2TEMPO, where Cp = C5H5, CpN = C5H4CH2CH2N(CH3)2, and TEMPO = 2,2,6,6-tetramethylpiperidine-N-oxyl] for styrene homopolymerization and ethylene-styrene (ES) copolymerization at 70 °C and 120 °C to determine the influence of the pendant amine group and the hydroxylaminato ligand on comonomer incorporation and distribution. Titanocenes bearing the pendant amine ligand were active for ES copolymerization, whereas complexes lacking the pendant group afforded only mixtures of homopolymers, revealing the critical role of the pendant amine donor on the copolymerization behavior. At 120 °C, the titanocene complexes with the amine group generated high molecular weight ES copolymers along with an atactic polystyrene (aPS) byproduct. The molecular weight of the ES copolymers produced by a coordination mechanism was found to coincide with that of the aPS produced by a radical polymerization mechanism. A method to separate these two components was developed by the addition of a catalytic chain-transfer agent, cobalt tetraphenylporphyrin, successfully decreasing the molecular weight of the radically-produced aPS and offering expedient separation of the ES copolymer from the aPS. Chapter 6 describes a series of new mono-, bi-, and trimetallic complexes based on the dinucleating ligand, N, N'-bis[2-(diphenylphosphino)phenyl] formamidine (PNNP), which provides two binding sites suitable for accommodating Pd, Ni, Co, Fe, and Cu. Definitive evidence for the structures of all complexes were given by X-ray crystal structures. The synthesis, characterization and crystal structure of each complex are discussed.
  • Also available: Print – 1994
  • The polycarbonate products, adhesives, and composite resins used in dentistry may have the potential to release bisphenol-A (BPA). BPA is known to exert effects at very low doses and presents a risk to reproductive, neurological, behavioural, and metabolic development, however, the actual effects induced by dental materials have not been sufficiently covered and critically analyzed. Nevertheless, many practicing dentists will be confused by the occasionally contradictory and often misinterpreted evidence in the literature. This book therefore represents a timely and comprehensive review of our current knowledge of BPA release from dental polymers and the potential presence of endocrinological consequences. After a review of the history and evolution of the issue within the broader biomedical context, the estrogenicity of BPA is explained. The basic chemistry of the polymers used in dentistry is then presented in a simplified and clinically relevant manner. Key chapters in the book carefully evaluate the release of BPA from dental polymets and the estrogenicity of these materials. Currently available evidence on the potential estrogenic action of dental composites, sealants, and adhesives is presented, and the exaggerated conclusions of various methodological protocols are assessed. The entire dental community will find this book to be an invaluable aid to safe practice.
  • Introduction to near-infrared spectra -- Alkanes and cycloalkanes -- Alkenes and alkynes -- Aromatic compounds -- Hydroxyl containing compounds -- Water -- Carbonyls -- Amines and amides -- P-H and S-H -- Carbohydrates -- Amino acids, peptides, and proteins -- Synthetic polymers and rubbers -- History of near-infrared (NIR) applications.
  • A facile and 100% regioselective cycloisomerization--6-pi-cyclization method for obtaining pyridines is described. The unsaturated ketones and aldehydes derived from the cycloisomerization of primary and secondary propargyl diynols in the presence of CpRu(MeCN)₃PF₆ are converted to 1-azatrienes which in turn undergo a subsequent electrocyclization--dehydration to provide pyridines with excellent regiocontrol. The ruthenium-catalyzed cycloisomerization is a mild, atom-economical method for obtaining the requisite dienone and dienal substrates. The cycloisomerization--6-pi-cyclization sequence may be carried out in one pot or in two independent steps. Additionally, the azatriene cyclization may be carried out in 1-3 hours under microwave irradiation or, for more sensitive substrates, at lower temperatures for longer periods of time (6--24 hours at 90 °C). An atom-economical method for the convenient synthesis of tetrahydropyrans and tetrahydrofurans is also described. Enones and enals derived from the [IndRu(PPh₃)₂Cl]-catalyzed redox-isomerization of primary and secondary propargyl alcohols undergo a subsequent intramolecular conjugate addition to provide cyclic ethers in excellent yields. Lastly, we have developed complementary methods for the transition metal-catalyzed enyne cycloisomerizations of cyclic olefins. By using distinct ruthenium and palladium catalysts, decalins and 7,6-bicycles can be obtained with dichotomous stereochemical outcomes. The change in mechanism that accompanies the change in metal affords trans-fused 1,4-dienes with ruthenium and their cis-fused diastereomers under palladium catalysis. In the reactions under ruthenium catalysis, a coordinating group is required, and acts to direct the metal to the same side of the carbocycle, resulting in the observed trans diastereoselectivity. Subtle changes in the carbocyclic substrate led to the discovery of a heretofore-unobserved mechanistic pathway, providing bicyclic cycloisomerization products under palladium catalysis, tricyclic products under ruthenium catalysis in DMA, and a 1:1 mixture of the two under ruthenium catalysis in acetone. The different coordination requirements of the two paths allow for the reaction to be shuttled through the metallacycle pathway (generating tricyclic products) when DMA is used as a solvent. This method of obtaining these cyclobutene products complements the existing methods for catalyzing the [2+2] cycloaddition of alkynes. While other methods have been demonstrated for larger ring sizes with palladium, and for specific alkyne termini with platinum and gold, this method is unique in its substrate scope. To the best of our knowledge, this is the first example of a [2+2] cycloaddition catalyzed by CpRu(MeCN)₃PF₆.
  • Part I. Image Reconstruction and Restoration -- 1. Introduction to Image Reconstruction / Zhi-Pei Liang, Jim Ji, and E. Mark Haacke -- 2. Wavelet-Based Multiresolution Local Tomography / E. Rashid-Farrokhi and K.J.R. Liu -- 3. The Point Spread Function of Convolution Regridding Reconstruction / Gordon E. Sarty -- 4. Mapping Motion and Strain with MRI / Yudong Zhu -- 5. Rotational Motion Artifact Correction Based on Fuzzy Projection onto Convex Sets / Chaminda Weerasinghe, Lilian Ji, and Hong Yan -- 6. Tagged MR Cardiac Imaging / Nikolaos V Tsekos and Amir A. Amini -- 7. Functional MR Image Visualization and Signal Processing Methods / Alex R. Wade, Brian A. Wandell, and Thomas P. Burg --Part II. Image Segmentation and Analysis -- 8. Multiscale Segmentation of Volumetric MR Brain Images / Wiro J. Niessen, Koen L. Vincken, Joachim Weickert, and Max A. Viergever -- 9. A Precise Segmentation of the Cerebral Cortex from 3-D MRI Using a Cellular Model and Homotopic Deformations / Yann Cointepas, Isabelle Bloch, and Line Garnero -- 10. Feature Space Analysis of MRI / Hamid Soltanian-Zadeh -- 11. Geometric Approaches for Segmentation and Signal Detection in Functional MRI Analysis / Guillermo Sapiro -- 12. MR Image Segmentation and Analysis Based on Neural Networks / Javad Alirezaie and M.E. Jernigan -- 13. Stochastic Model Based Image Analysis / Yue Wang and Tiilay Adal -- 14. Functional MR Image Analysis -- Shang-Hong Lai and Ming Fang -- 15. Tagged MR Image Analysis / Amir A. Amini and Yasheng Chen -- Part III. Spectroscopic Signal Processing -- 16. Time-Domain Spectroscopic Quantitation / Leentje Vanhamme, Sabine Van Huffel, and Paul Van Hecke -- 17. Multidimensional NMR Spectroscopic Signal Processing / Guang Zhu and Yingbo Hua -- 18. Advanced Methods in Spectroscopic Imaging / Keith A. Wear -- 19. Characterization of Brain Tissue from MR Spectra for Tumor Discrimination / Paulo J.G. Lisboa, Wael El-Deredy, Y.Y. Barbara Lee, Yangxin Huang, Angelica R. Corona Herandez, Peter Harris, and Carles Aris -- 20. Wavelet Packets Algorithm for Metabolite Quantification in Magnetic Resonance Spectroscopy and Chemical Shift Imaging / Luca T Mainardi, Sergio Cerutti, Daniela Origgi, and Giuseppe Scotti -- 21. Cramér-Rao Bound Analysis of Spectroscopic Signal Processing Methods / Sophie Cavassila, Dirk van Ormondt, and Danielle Graveron-Demilly.
  • ch. 1. Single Molecule Detection in Liquids and on Surfaces under Ambient Conditions: Introduction and Historical Overview / Jörg Enderlein, Richard A. Keller and Christoph Zander, p. 1-19 -- ch. 2. Theoretical Foundations of Single Molecule Detection in Solution / Jörg Enderlein and Christoph Zander, p. 21-67 -- ch. 3. Conceptual Basis of Fluorescence Correlation Spectroscopy and Related Techniques as Tools in Bioscience / Jerker Widengren and Ülo Mets, p. 69-120 -- ch. 4. Surface-Enhanced Raman Scattering (SERS - A Tool for Single Molecule Detection in Solution / Katrin Kneipp, Harald Kneipp, Irving Itzkan, Ramachandra R. Dasari and Michael S. Feld, p. 121-144 -- ch. 5. Single Molecule Detection on Surfaces with the Confocal Laser Scanning Microscope / Martin Böhmer and Jörg Enderlein, p. 145-183 -- ch. 6. Spectroscopy of Individual Photosynthetic Pigment-Protein Complexes / J. Wrachtrup, T.J. Aartsma, J. Köhler, M. Ketelaars, A. M. van Oijen, M. Matsushita, J. Schmidt, C. Tietz and F. Jelezko, p. 185-229 -- ch. 7. Single Dye Tracing for Ultrasensitive Microscopy on Living Cells / Gerhard J. Schütz and Hansgeorg Schindler, p. 231-245 -- ch. 8. Single Molecule Identification in Solution: Principles and Applications / M. Sauer and C. Zander, p. 247-272 -- ch. 9. Studying Molecular Motors on the Single Molecule Level / Y. Ishii, A. H. Iwane, H. Yokota, Y. Inoue, T. Wazawa, M. Nishiyama, H. Tanaka, K. Kitamura and T. Yanagida, p. 273-292 -- ch. 10. The Chemistry of a Single Enzyme Molecule / Robert Polakowski, Michael Eggertson, Douglas B. Craig and Norman J. Dovichi, p. 293-301 -- ch. 11. Single Molecule Detection of Specific Nucleic Acid Sequences / Alonso Castro, p. 303-321 -- ch. 12. Single Molecule Detection in the Near-Infrared / Steven A. Soper, Musundi Wabuyele, Clyde V. Owens and Robert P. Hammer, p. 323-362.
  • Univariate Data -- Bi- and Multivariate Data -- Related Topics -- Complex Examples -- Appendices.
  • Also available: Print – 2005
  • Voltage-gated sodium ion channels are integral membrane proteins most commonly associated with the propagation of action potentials along electrically conducting cells. Nine distinct mammalian isoforms exist, which vary in their primary sequence, gating properties and tissue distribution. Efforts to deconvolute the physiological roles of each isoform through genetic methods, including knockout and gene silencing, are complicated by issues of redundancy and compensatory upregulation of related isoforms. Here we present new strategies and methods for the synthesis of a class of small molecule sodium channel inhibitors, the paralytic shellfish poisons. Methods for the construction of cyclic 5-membered guanidines from acyclic precursors through intramolecular C--H amination and a total synthesis of the paralytic shellfish poison (+)-gonyautoxin 3 are described. It is our vision that these developments will ultimately lead to new small molecule probes designed to help answer fundamental questions regarding sodium ion channel structure and diversity.
  • Surfactant science series v. 78, 80, 89, 93, 95-96, 100, 102-103, 105, 108-117, 119-, 1999-
  • Computing technologies, theories, and algorithms : the making of 40 years and more of theoretical and computational chemistry / Clifford E. Dykstra, Gernot Frenking, Kwang S. Kim, Gustavo E. Scuseria -- Dynamical, time-dependent view of molecular theory / Yngve Öhrn, Erik Deumens -- Computation of non-covalent binding affinities / J. Andrew McCammon -- Electrodynamics in computational chemistry / Linlin Zhao, Shengli Zou, Encai Hao, George C. Schatz -- Variational transition state theory / Bruce C. Garrett, Donald G. Truhlar -- Computational chemistry : attempting to simulate large molecular systems / Enrico Clementi -- The beginnings of coupled-cluster theory : an eyewitness account / Josef Paldus -- Controlling quantum phenomena with photonic reagents / Herschel Rabitz -- First-principles calculations of anharmonic vibrational spectroscopy of large molecules / R.B. Gerber, G.M. Chaban, B. Brauer, Y. Miller -- Finding minima, transition states, and following reaction pathways on ab initio potential energy surfaces / Hrant P. Hratchian, H. Bernhard Schlegel -- Progress in the quantum description of vibrational motion of polyatomic molecules / Joel M. Bowman, Stuart Carter, Nicholas C. Handy -- Toward accurate computations in photobiology / Adalgisa Sinicropi, Massimo Olivucci -- The nature of the chemical bond in the light of an energy decomposition analysis / Matthias Lein, Gernot Frenking -- Superoperator many-body theory of molecular currents : non-equilibrium Green functions in real time / Upendra Harbola, Shaul Mukamel -- Role of computational chemistry in the theory of unimolecular reaction rates / William L. Hase, Reinhard Schinke -- Molecular dynamics : an account of its evolution / Raymond Kapral, Giovanni Ciccotti -- Equations of motion methods for computing electron affinities and ionization potentials / Jack Simons -- Multireference coupled cluster method based on the Brillouin-Wigner perturbation theory / Petr Čársky, Jiří Pittner, Ivan Hubač -- Electronic structure : the momentum perspective / Ajit J. Thakkar -- Recent advances in ab initio, density functional theory, and relativistic electronic structure theory / Haruyuki Nakano, Takahito Nakajima, Takao Tsuneda, Kimihiko Hirao -- Semiempirical quantum-chemical methods in computational chemistry / Walter Thiel -- Size-consistent state-specific multi-reference methods : a survey of some recent developments 1 / Dola Pahari, Sudip Chattopadhyay, Sanghamitra Das, Debashis Mukherjee, Uttam Sinha Mahapatra -- The valence bond diagram approach : a paradigm for chemical reactivity / Sason Shaik, Philippe C. Hiberty -- Progress in the development of exchange-correlation functionals / Gustavo E. Scuseria, Viktor N. Staroverov -- Multiconfigurational quantum chemistry / Björn O. Roos -- Concepts of perturbation, orbital interaction, orbital mixing and orbital occupation / Myung-Hwan Whangbo -- G2, G3 and associated quantum chemical models for accurate theoretical thermochemistry / Krishnan Raghavachari, Larry A. Curtiss -- Factors that affect conductance at the molecular level / Charles W. Bauschlicher Jr., Alessandra Ricca -- The CH---O hydrogen bond : a historical account / Steve Scheiner -- Ab initio and DFT calculations on the Cope rearrangement, a reaction with a chameleonic transition state / Weston Thatcher Borden -- High-temperature quantum chemical molecular dynamics simulations of carbon nanostructure self-assembly processes / Stephan Irle, Guishan Zheng, Marcus Elstner, Keiji Morokuma -- Computational chemistry of isomeric fullerenes and endofullerenes / Zdeněk Slanina, Shigeru Nagase -- On the importance of many-body forces in clusters and condensed phase / Krzysztof Szalewicz, Robert Bukowski, Bogumil Jeziorski -- Clusters to functional molecules, nanomaterials, and molecular devices : theoretical exploration / Kwang S. Kim, P. Tarakeshwar, Han Myoung Lee -- Monte Carlo simulations of the finite temperature properties of (H₂O)₆ / R.A. Christie, K.D. Jordan -- Computational quantum chemistry on polymer chains : aspects of the last half century / Jean-Marie André -- Forty years of ab initio calculations on intermolecular forces / Paul E.S. Wormer, Ad van der Avoird -- Applied density functional theory and the deMon codes 1964-2004 / D.R. Salahub, A. Goursot, J. Weber, A.M. Köster, A. Vela -- SAC-CI method applied to molecular spectroscopy / M. Ehara, J. Hasegawa, H. Nakatsuji -- Forty years of Fenske-Hall molecular orbital theory / Charles Edwin Webster, Michael B. Hall -- Advances in electronic structure theory : GAMESS a decade later / Mark S. Gordon, Michael W. Schmidt -- How and why coupled-cluster theory became the pre-eminent method in an ab into quantum chemistry / Rodney J. Bartlett.
  • An online journal and ebook service of the Thieme Publishing Group. The ebook package is also called Thieme Clinical Collections.
  • Covers science and technology in all areas of industrial chemistry, containing nearly 1000 major articles with more than 16 million words, nearly 10,000 tables, 30,000 figures, and literature sources and cross-references. It also includes full text index, author index, CAS registry number index, and keyword index.
  • Several methods of examining the structure and function of voltage-gated ion channels are described. The first part of this work involves synthetic small molecules based on the structure of (+)-saxitoxin, a marine neurotoxin. (+)-saxitoxin interacts with the pore of the voltage-gated sodium (NaV ) channel to prevent the passage of ions. A scaffold was designed to be modular, synthetically facile, and contain the functionality that had been implicated in the previous literature. Several members of this family of molecules were produced, and they were assayed for occlusion of sodium current (INa). The second part of this work examines the gating kinetics of voltage-gated potassium (KV) channels. 6-bromo-mercaptotryptamine (BrMT) is a marine neurotoxin that has been shown to alter the gating kinetics of KV channels. Specifically, BrMT affects the early, typically independent steps of KV gating by stabilizing the resting state of some number of the subunits. A family of small molecules was designed and synthesized that would examine the functional effects of different parts of the BrMT molecule. BrMT is a dimer containing three key functional groups: a halogenated indole, a pendant ethyl-amine, and a disulfide linker. Variance at all these positions was examined, and each had different effects. Notably, one of the variants, in which the disulfide linker was substituted for an oxy-bismethyl ether linker, affects KV gating in a different way from BrMT. Alternate models of gating in the presence of this novel analog are discussed.
  • Part I. Principles and Methods -- Chapter 1. Introduction, p. 1-22 -- Chapter 2. Experimental Techniques, p. 23-44 -- Chapter 3. Principles of X-Ray Diffraction by a Crystal, p. 45-79 -- Chapter 4. Diffraction Data Evaluation, p. 81-97 -- Chapter 5. Methods for Solving the Phase Problem, p. 99-139 -- Chapter 6. Phase Improvement by Density Modification and Phase Combination, p. 141-156 -- Chapter 7. Model Building and Refinement, p. 157-185 -- Chapter 8. Crystal Structure Determination of the Time-Course of Reactions and of Unstable Species, p. 187-202 -- Chapter 9. Structural Genomics, p. 203-220 -- Part II. Practical Examples -- Chapter 10. Data Evaluation, p. 223-238 -- Chapter 11. Determination of Anomalous Scatterer or Heavy Atom Positions, p. 239-251 -- Chapter 12. MIRAS and MAD Phasing with the Program SHARP, p. 253-259 -- Chapter 13. Molecular Replacement, p. 261-266 -- Chapter 14. Averaging about Non-Crystallographic Symmetry (NCS) for 4-BUDH, p. 267-275 -- Chapter 15. Model Building and More, p. 277-291
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No advertising, no endorsement of commercial companies or productsLPCH CareNotes via MicroMedex: Patient education handouts customized by LPCH clinical staffMicromedex Lab Advisor: Evidence based laboratory test informationA drug database organized by generic name, trade name and drug class.LPCH / Stanford Hospital Formulary.A goldmine of trusted consumer health information from the world's largest medical library.A trusted source of expert advice for and about kids, providing the information necessary to help patients and parents understand their unique needs.Provides patient handouts from the American Academy of Family Physician.Access to the Stanford Health Library for patients.Lane provides access to over 5,000 eBooks many of which provide helpful background material that will prepare you to better tackle primary literature.Largest, broadest eBook package; covers all sciences, as well as technology (including software), medicine, and humanities. In addition to covering Wiley and Springer, MyiLibrary is also the only provider for Oxford and Cambridge University Press titles. No seat restrictions.A collection of biomedical books that can be searched directly by concept, and linked to terms in PubMed abstracts.A web-based, decision support system for infectious diseases, epidemiology, microbiology and antimicrobial chemotherapy. The database, updated weekly, currently includes 337 diseases, 224 countries, 1,147 microbial taxa and 306 antibacterial (-fungal, -parasitic, -viral) agents and vaccines. Over 10,000 notes outline the status of specific infections within each country.
Large number of high quality software and database programming titles from O'Reilly. Other software titles are also available from Sams and Prentice Hall. Limited to 7 concurrent users.Vast collection of software and database programming titles from multiple publishers, including Microsoft Press.Largest provider of engineering-related eBooks; includes titles in computer science and biomedical engineering.Over 4,000 full-text e-books covering scientific and technical information from CRC Press and others. Many handbooks and single volume reference sources.Includes peer-reviewed life science and biomedical research protocols compiled from Methods in Molecular Biology, Methods in Molecular Medicine, Methods in Biotechnology, Methods in Pharmacology and Toxicology, Neuromethods, the Biomethods Handbook, the Proteomics Handbook, and Springer Laboratory Manuals.Contains full text access to selected biomedical and nursing books.Provides online, full-text access to Springer's journal titles as well as journals from other publishers. Subjects include: life sciences, chemical sciences, environmental sciences, geosciences, computer science, mathematics, medicine, physics and astronomy, engineering and economics. Also includes eBooks.Collection of over 8 thousand fulltext titles in engineering, math, and basic and applied biomedical research. Coverage is from 1967 to the present.A library of ebooks on a wide array of topics, digitized and made available online in conjunction with the original publishers.