Beyond the Molecular Frontier Challenges for Chemistry and Chemical Engineering (2003) / Chapter Skim
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Pages 209-224
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From page 209... ...
See Frontiers in Chemical Engineering: Research Needs and Opportunities Analysis clinical, 56 high-throughput, 31, 70 process, 68 of solutions, 58 Analytical characterization critical in pharmaceutical products, 56 Analytical chemistry, 17, 63-68, 173 macromolecules and biomacromolecules, 65-66 process analysis, 68 sample complexity, 64-65 sensitivity, 63-64 small dimensions, 66-67 throughput of analytical information, 67 Analytical information throughput of, 67 Angstrom scale processes, 79
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From page 210... ...
, 66 Azeotropic separations, 84 B Ball, Philip, 15 Base pairing, 112 BASE corporate network optimization by, 88-89 Bayh-Dole Act of 1980, 20 Bednorz, Johannes G., 28 Bell Laboratories, 135 Benzene, 23 Beyond the Molecular Frontier: Challenges for the Chemical Sciences, 13 Binding energies, 59 Biocatalytic systems developing more selective, 34 Biochemical chemistry, 17 Biochemical engineering, 101-105 large-scale production of proteins from recombinant DNA using suspensions of animal cells, 103-105 INDEX Biocompatible surface layers adding to materials, 135 Bioengineering and biotechnology chemical science integral to, 18 Bioinformatics, 98 Biological aspects of military security, 174-175 Biological metabolic networks, 53 Biological terrorism, 5, 174- 175 Biology chemistry underlying, 4 interface with, 4, 95-122 Biomacromolecules, 65-66 Biomimetic catalysts, 52 Biomimetic chemistry, 27, 118, 135 Biomimetic synthesis, 31-32 Biopolymers, 65 time scales within, 81 Bioreactors human-design, 105 Bioremediation, 154-155, 157 Biosensors implanted, 122 Birth control, 158 Block copolymers, 50-51, 126 Blood-brain barrier, 117, 122 Board on Chemical Sciences and Technology (BCST) , 1, 6, 13, 14 Bohr, Neils, 12-13 Boyer, Paul, 48 Boyle, Robert, 49 Brain tumors treating, 117 Branching (macromolecules)
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From page 211... ...
See also Goals; Grand challenges prioritizing, 7 Charge-coupled devices (CCDs) , 146 Chemical aspects of military security, 175-176 Chemical compounds rate of creation of, 18 Chemical engineering evolution as a distinct discipline, 19 211 formal origin of, 17n full-time graduate students in, 183 the practice of, 181 Chemical engineers involvement in product design, 29 Chemical industry public opinion of, 190 Chemical kinetic studies, 43-44 Chemical plants, 19 Chemical processes redesigning for safety and easier commercialization, 10, 193 Chemical reactor modeling, 29 Chemical sciences current status of, 1 defined, 2 involving creation as well as discovery, 17 subdisciplines of, 16-17 unlocking the world's mysteries, 21 Chemical supply chain, 74 Chemical terrorism, 5 Chemical theory and computer modeling, 4, 7194 in integration of the chemical supply chain, 91 in process control, 91 process systems engineering, 90-92 process systems engineering in process and product design, 91 in R&D and process operations, 91 Chemical transformations of matter, 2-3, 41-54 Chemical vapor deposition (CVD)
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From page 212... ...
transistors nonleaking, 72 Composite materials, 141 Computational algorithms, 61 Computational chemistry efficiency in, 40, 61 research opportunities in, 14, 98 Computational steering, 93 Conducting molecules, 140 INDEX Controlled delivery of therapeutics, 117-118 Corey, Elias J., 28 Council for Chemical Research, 187 COX-2 selectivity, 110 CPU cycles, 145 speed, 72 Cram, Donald J., 32 Creativity, 28 Critical pathways turning off and on, 116 Critical points phenomena near, 49 Critical Technologies: The Role of Chemistry and Chemical Engineering, 6, 12-14 Crutzen, Paul, 152 Crystal engineering, 133- 135 Crystallography neutron, 61 X-ray, 60 Crystals liquid, 127 ribosome, 112 Curl, Robert F., Jr., 134 Current state of progress in atmospheric and environmental chemistry, 149-155 in chemical and physical transformations of matter, 42-52 in chemical theory and computer modeling, 81-89 in creating materials by design, 126-138 in interfacing with biology and medicine, 105-111 in isolating, identifying, imaging, and measuring substances and structures, 5768 in national and personal security, 172-173 in providing energy for the future, 162-169 in synthesizing, manufacturing and exploiting new substances and new transformations, 25-29 Cyclooxygenase (COX) enzymes, 108 D Dangerous substances and organisms detecting and identifying, 8, 56, 174-178, 191-192 DDT, 152, 154
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From page 213... ...
, 188 Enzyme membrane reactor, 39 Enzyme-substrate complex, 31-32 Enzymes artificial, 53 properties of, 53 Equations multiparameter, 49 of state, 49 Ernst, Richard, 58 Erythropoietin, 102 European Chemical Industry Council, 190 Evans aldol reaction, 99 Excited states, 76 energy of particles used for, 57 laser energy used for, 48, 64 transformations of, 53 Execution speed single-threaded, 92
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From page 214... ...
, 104 Fossil fuels alternatives to, 163-165 combustion of, 34, 151 Fractionation field flow, 64 Free electron lasers research opportunities in, 14 Frontiers in Chemical Engineering: Research Needs and Opportunities, 1, 11-12 Fuel cells, 167-168 Fuel efficiency, 151 Fukui, Kenichi, 48 Fullerenes, 134 Future challenges and opportunities in atmospheric and environmental chemistry, 155-159 in chemical and physical transformations of matter, 52-54 INDEX in chemical theory and computer modeling, 89-94 in creating materials by design, 138-146 in interfacing with biology and medicine, 111-121 in isolating, identifying, imaging, and measuring substances and structures, 68-70 in national and personal security, 174-178 in providing energy for the future, 169-170 in synthesizing, manufacturing and exploiting new substances and new transformations, 29-40 G Gamma emissions, 60 Gas chromatography (GC) , 65 Gas chromatography/mass spectrometry (GC/MS)
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From page 215... ...
, 65 High-throughput analysis, 31, 70 High-volumetric productivity, 37 Higher order structures, 139 Highly complex molecules synthesis of, 25 Hoffmann, Roald, 48 Huber, Robert, 119 Human-design bioreactors, 105 Human genome sequencing, 4, 48, 119-120 Human Genome Project, 65, 67, 69, 113-114, 119 Human immunodeficiency virus (HIV-1) , 98100, 115 protease inhibitors, 100 replication cycle, 99 Hybrid materials, 141 Hydroelectric dams, 165 Hydrogen as a fuel, 166-167, 170 Hypothesis-driven science and technology, 68 I Image analysis, 144 Imaging substances and structures, 3-4, 55-70
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From page 216... ...
See also Chemical kinetic studies; Pharmacokinetic models; Reaction rates and reaction engineering, 17 Knowles, William S., 32 Kohn, Walter, 81-82 Kroto, Harold W., 134 L Laboratory reactions v. manufacturing, 26-27 Land mines detecting, 56, 174 Langer, Robert, 117- 118 Langmuir, Irving, 12 Large-scale differential-algebraic models, 91 Large-scale production of proteins from recombinant DNA using suspensions of animal cells, 103-105 Lasers.
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From page 217... ...
, 62, 66 Materials by design, 4-5, 123-147 adaptive and responsive materials, 144- 145 adding biocompatible surface layers to, 135 Metal armor analysis and simulation, 143- 144 anisotropic strength of, 127 ceramics, carbon structures, and crystal engineering, 133-135 composite and hybrid materials, 141 electronic, optoelectronic, photonic, magnetic, and superconducting materials, 130-133 green materials and eco-technology, 142 143 higher order structures, 139 layered materials and surface modification, 135-136 molecular electronic materials, 140 nanomaterials, 136-138 semiconductor processing, 140 surface modification and interfaces with biology and electronics, 141-142 synthetic polymers and self-assembly, 126 130 templating, 139 tools, resources, and infrastructures, 145- 146 217 Mathematical modeling and analysis, 19 Matrix assisted laser ionization-desorption (MALDI) , 62, 66 Measurement devices for substances and structures, 3-4, 55-70 developing, 8, 191-192 with predictable properties, 8-9, 192 Measurement science, 63-68 macromolecules and biomacromolecules.
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From page 218... ...
, 87 Modeling, 85-89 of molecules, 83 of self-assembly, 144 and simulation, 77 Molecular calculations, 144 Molecular complexes, 32 Molecular dynamics, 77 multi-dimensional techniques in, 58 Molecular electronic materials, 140 Molecular frontier, 7, 21, 183 Molecular-level construction of structures, 124 Molecular mechanics, 76-77 Molecular medicine, 116 Molecular recognition, 116 Molecular signaling "tuning," 111 Molecules. See also Biomacromolecules; Intermolecular interactions; Macromolecules; Single-molecule spectroscopy; Supramolecular assemblies addressable, 140 amphiphilic, 130 conducting, 140 floppy, 57 interesting topography of, 25 modeling, 83 observing individual, 3 switchable, 140 synthesis of highly complex, 25 three-dimensional architecture of, 57 understanding and controlling reactions of, 8, 192 volatilizing, 62 INDEX Molina, Mario, 152 Monte Carlo methods, 77-78 Moore's law, 72 Mossbauer spectroscopy, 60 Muller, Karl A., 28 Muller, Paul, 152 Multi-dimensional techniques in molecular dynamics, 58 Multimolecular photosynthetic reaction center, 119 Multiple instruction, multiple data (MIMD)
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From page 219... ...
instruments, 46, 57-58, 98, 118, 184 pulsed, 59 Nuclear structure spectroscopies, 60 Nuclear weapons and military security, 165, 173, 176 Nucleotide sequences, 112 Nuzzo, Ralph G., 135 o Odor detection, 57, 65 Olah, George A., 42 Oligomeric materials tailoring, 140 Oligonucleotide synthesis, 119 Opportunities in Chemistry, 1, 11 Optical fibers, 130 Optical properties switchable, 127 Optimization, 85-89 advanced discrete-continuous, 91 global, 85 nonlinear algorithms for, 87 Optoelectronic materials, 130-133 Organelles, 65 Organic chemistry, 17 Organisms detecting and identifying dangerous, 8, 191192 Organometallic reagents, 52 219 Organs developing semisynthetic, 96, 121 Oxidation partial, 34 performing safely, 26 Oxidation-reduction reactions, 166 Ozone layer depletion of, 150 p Paclitaxel, 102 synthesizing, 26 Paints water-based, 127 Palladium catalysis by, 27 Parallelizable tasks, 92-93 Particles used for excitation, 57 Pasteur, Louis, 12-13 Pedersen, Charles J., 32 Penicillin large-scale production of, 102 synthesizing, 24 Personal security, 173, 177-178 Pharmaceutical products analytical characterization critical in, 56 controlled release of, 102 Pharmacia-Upjohn, 89 Pharmacokinetic models, 102 Phase transition phenomenon, 49-50 Phases interfaces between, 125 Photo detachment of negative ions, 59 Photodissociation, 46 Photoexcitation, 52 Photoionization, 59 Photolithography, 128-129, 136 using UV wavelengths, 138 Photonic materials, 130-133 Photosynthetic reaction center multimolecular, 119 Photosynthetic systems, 27, 150, 163 Photovoltaics, 164 Physical chemistry, 17, 29 Physical transformations of matter, 2-3, 41-54 Pimentel, George, 11 Pimentel report. See Opportunities in Chemistry Pioglitazone, 120
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From page 220... ...
See also Chemical processes; Flow processes; Transport processes Process control, 91 Process engineering technologies for manufacturing, 35 Process intensification and miniaturization emerging platforms for, 36-40 enzyme membrane reactor, 39 methyl acetate columns, 35, 37 micro heat exchangers, 38 silicon chip, 38 Process simulation revolution in, 86-87 Process synthesis, 84-85 Process systems engineering, 17, 83-92 increasing profitability of, 88-89 modeling and optimization, 85-89 in process and product design, 91 Processing plants zero-effluent, 143 Productivity. See High-volumetric productivity Profitability of the chemical industry supply-chain management increasing, 88-89 Promises to customers capability to make, 89 Prosperity, 180 Prostaglandin synthesis, 109 Prostate screening antigen (PSA)
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From page 221... ...
, 137, 146 Scanning tunneling microscopy (STM) , 66-67, 130, 136 School children attracting to chemistry, 6 Schrodinger wave equation, 75, 81 Science pure, 12 Scientific computing, 92-94 Scientific research fundamental, interactions with applications, 12 need for more interactions among chemists, engineers, biologists, and physicists, 126 quadrant model of, 12- 13 Second-order phase transition phenomenon, 50 Secondary ion mass spectrometry (SIMS)
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From page 222... ...
See also Excited states; Metastable states transformations between, 49 Statistical mechanics and fluid mechanics, 77-78 Stereochemical control, 107 Stereoregularity, 139 Stoichiometric reagents, 153 Stokesian dynamics, 77 Storage batteries, 168-169 Stories of the Invisible: A Guided Tour of Molecules, 15 Structure determination, 57-62. See also Protein structure diffraction techniques, 60-62 electronic spectroscopies, 59-60 isolating, identifying, imaging, and measuring, 3-4, 55-70 mass spectrometry, 62 nuclear magnetic resonance spectroscopies, 58 nuclear structure spectroscopies, 60 rotational spectroscopies, 59 vibrational spectroscopies, 59 Structured fluids, 51 Structures molecular-level construction of, 124 Strychnine synthesizing, 25-26 attracting into the chemical sciences, 10, 183-184, 194 Submicron-particles, 51
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From page 223... ...
, 66 Surface modification and interfaces with biology and electronics, 141-142 layered materials and, 135- 136 Surfaces, 29 reactions on, 52 Surfactant solutions, 50 Sustainability, 34 Switchable molecules, 140 Synchrotron radiation, 61 Synthesis of ATP, 48 biomimetic, 31-32 by catalysis, 30-31, 53 combinatorial chemistry of, 31 creating and exploiting new substances and new transformations, 2, 8, 22-40 development of new methodologies for, 30 and emerging platforms for process intensification and miniaturization, 3640 of highly complex molecules, 25 in manufacturing, 33-36 multistep, 24, 48 oligonucleotide, 119 of proteins, 29, 112 by self-assembly, 32-33 Synthetic chemistry, 18, 29, 33 Synthetic polymers and self-assembly, 126- 130 223 T Tanaka, Koichi, 62 Taube, Henry, 48 Taxol, 102 Technology Vision 2020, 14 Templating, 139 Terrorism protecting citizens against, 8, 165, 179, 191192 Theoretical chemistry, 17 Theory guiding experimental work, 48, 75 Therapeutics controlled delivery of, 117-118 that can cure untreatable diseases, 9, 192 Thermal cracking of petroleum, 48-49 Thermodynamics and chemical property estimation, 17 Thiol self-assembled monolayers, 135 Three-dimensional architecture of molecules, 57 Throughput, 37. See also High-throughput analysis of analytical information, 67 Time-averaged structural information, 61 Time scales within biopolymers and nonbiological polymers, 81 in molecular simulation, 80-81 spanning, 78-81 Tissue engineering, 138 Tissue plasminogen activator (tPA)
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From page 224... ...
See Chemistry: Opportunities and Needs Wilkinson, Geoffrey, 28 Wilson, Kenneth, 49 Wind energy, 165 Wireless computing, 93 Wittig, Georg, 28 Women attracting to chemistry, 5, 183 Woodward, Robert Burns, 25 Wound-healing, 142 X X-ray absorption fine structure (EXAFS) data, 60 X-ray absorption near edge structure (XANES)
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