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COMPLEXATION OF NANOSCALE ENZYME INHIBITOR WITH CARBONIC ANHYDRASE ACTIVE CENTER: A QUANTUM MECHANICAL APPROACH

Mina Ghiasi、S. Kamalinahad、M. Zahedi2014-08-12Zenodo (CERN European Organization for Nuclear Research)

The complex between carbonic anhydrase enzyme center (CA) and a derivative of fullerene as a nanoscale inhibitor (C60–Inh) has been investigated, based on, B3LYP level, using 6-31G* basis set. The results of calculations indicate that this special fullerene derivative could be deprotonated from three different positio…

Carbon Nanotubes in CompositesPolymer Nanocomposite Synthesis and IrradiationNanotechnology research and applications

Front Matter: Volume 9154

作者信息未提供2014-08-12Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

This PDF file contains the front matter associated with SPIE Proceedings Volume 9154, including the Title Page, Copyright information, Table of Contents, Introduction (if any), and Conference Committee listing.

Chemical and Physical Properties of MaterialsQuantum and Classical ElectrodynamicsAdvanced Electron Microscopy Techniques and Applications

High Tension Ignition Cable

Ignition Standards Committee2014-08-12OpenAlex

The specifications contained in this SAE Standard pertain to high tension ignition cable used in road vehicle engine ignition systems.

Engineering and Material Science Research

Study on the content of six metal elements in different forest soil in Kowloon Reservoir Area

Zhiyan Mao2014-08-12OpenAlex

ABSTRACT: The article mainly studied the content of K, Mg, Na, Fe, Zn and Cu in six forest soil in Kowloon reservoir area in Yunnan province. The result showed: the content of K is maximum in Eucalyptus forest, the Shrubbery is lowest; the content of Mg is maximum in Querus glauca, it is few; the content of Na is maxi…

Metallurgy and Material ScienceAgriculture, Soil, Plant ScienceHeavy metals in environment

Foreword

作者信息未提供2014-08-12Nanotoxicology

This supplementary issue of Nanotoxicology is a one-off issue created for online publication only. All of the articles in this issue have undergone the journal’s regular peer-review process. No spo...

Nanotechnology research and applicationsEffects and risks of endocrine disrupting chemicalsNanoparticles: synthesis and applications

Optimization

Edwin Zondervan2014-08-12OpenAlex

In this chapter we are going to look at several techniques to solve optimization problems. Optimization problems occur anywhere in chemical engineering, all to improve operation or design of process systems.

Thermal and Kinetic AnalysisChemical and Environmental Engineering ResearchProcess Optimization and Integration

Subject guides: Turnitin: How do I use Turnitin?

Dalia Malaeb2014-08-12OpenAlex

Information on how to use Turnitin, including two videos and guidance on accessing Turnitin, submitting work and accessing the originality report.

Multiple Myeloma Research and TreatmentsColorectal Cancer Treatments and StudiesPhytochemistry and Bioactive Compounds

Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation

Samuel Poncé、Gabriel Antonius、Yannick Gillet 等 8 位作者2014-08-12Digital Access to Libraries

The renormalization of electronic eigenenergies due to electron-phonon interactions (temperature dependence and zero-point motion effect) is important in many materials. We address it in the adiabatic harmonic approximation, based on first principles (e.g., density-functional theory), from different points of view: di…

Boron and Carbon Nanomaterials ResearchMetal and Thin Film MechanicsInorganic Chemistry and Materials

MONOCOQUE ALUMINUM STRUCTURE DESIGN FOR LIGHT TACTICAL VEHICLE WITH EMPHASIS ON DEFEATING UNDER BODY BLAST EVENT AND IMPROVING CREW SURVIVABILITY

Chu-Hwa Lee、Demetrio M. Lacap、Shawn J. Keller2014-08-12SAE technical papers on CD-ROM/SAE technical paper series

ABSTRACT In order to defeat under body blast events and improve crew survivability, a monocoque aluminum cab structure has been designed as a drop on solution based on the current M1151A1 (HMMWV) chassis. The structure is comprised of all 5083-H131 Aluminum alloy armor plates with various thicknesses. The structure de…

Transportation Safety and Impact AnalysisHigh-Velocity Impact and Material BehaviorAutomotive and Human Injury Biomechanics

LABORATORY EXPLOSIVE TESTING AT SMALL SCALE

Leslie C. Taylor、William E. Fourney、H. Leiste2014-08-12SAE technical papers on CD-ROM/SAE technical paper series

Small scale testing has proved very useful in exploring the details of buried charge target loading mechanisms. If the target is of reasonable size relative to the charge, the target is loaded in two steps or phases. It has been possible to gain insight into the density distribution in the soil cap that provides the f…

High-Velocity Impact and Material BehaviorTransportation Safety and Impact AnalysisStructural Response to Dynamic Loads

SOLID OXIDE FUEL CELLS FOR MAN-TRANSPORTABLE UNMANNED VEHICLES

Thomas A. Westrich2014-08-12SAE technical papers on CD-ROM/SAE technical paper series

ABSTRACT The military has a need to source propulsion systems that have enhanced efficiencies, lower noise signatures, and improved lifetimes over existing power systems. This is true for energy storage systems on unmanned ground vehicles and for manned vehicles (i.e., Auxiliary Power Units). Fuel cells have the promi…

Fuel Cells and Related MaterialsElectric and Hybrid Vehicle TechnologiesAdvancements in Solid Oxide Fuel Cells

IN-LINE FUEL SULFUR ANALYZER FOR IMPROVED MANAGEMENT OF DESULFURIZERS FOR FUEL CELL AUXILIARY POWER

Andrew Wagner、Paul E. Yelvington2014-08-12SAE technical papers on CD-ROM/SAE technical paper series

ABSTRACT Combat vehicles have unmet needs for auxiliary power units (APUs) that reduce fuel consumption and offer improved operational effectiveness and soldier safety. Adoption of fuel cell APU technology is hindered by requirements for fuel desulfurization and reforming. Both solid-oxide and polymer-electrolyte-memb…

Engineering Applied ResearchNuclear Materials and PropertiesFuel Cells and Related Materials

THE DISCRETE PARTICLE APPROACH TO MODELING AIR, SOIL AND HE FOR BLAST SIMULATIONS

Wayne L. Mindle、Michelle D. Gasbarro、L. Olovsson2014-08-12SAE technical papers on CD-ROM/SAE technical paper series

ABSTRACT Discrete Particles are just as they sound, individual particles that represent Air, Soil and HE (High Explosives). They are not based upon a continuum theory and should not be confused with SPH (Smooth Particle Hydrodynamics) which is a full Lagrangian continuum theory. The modeling of Air, Soil and HE (High…

Structural Response to Dynamic LoadsPlanetary Science and ExplorationHigh-Velocity Impact and Material Behavior

Investigating the Role of the Chromosomal Passenger Complex and Putative Interactors in Drosophila Spindle and Central Spindle Formation

Sarah Anne Campbell2014-08-12Open Research Exeter (University of Exeter)

Mitosis and meiosis, cellular processes leading to the production of diploid and haploid daughter cells respectively, are tightly regulated to ensure faithful chromosome segregation is coupled to cytokinesis. Defects in these processes can lead to many diseases, including the promotion of tumourogenesis and sterility.…

Silk-based biomaterials and applications

Konjugierte Donor-Akzeptor-Oligomere und -Polymere

Dietrich Breusov2014-08-12OpenAlex

Various factors such as rising crude oil prices and increasingly common natural disasters in recent years have accelerated the development of renewable energies. An interesting and promising field of renewable energies is represented by the solar technology. Organic and polymeric devices such as organic photovoltaics…

Conducting polymers and applicationsSynthesis and properties of polymersPhotopolymerization techniques and applications

Vibrational Energy Dissipation in Condensed Phases Investigated by Multiple Modes Multiple Dimensional Vibrational Spectroscopy

Jiebo Li2014-08-12Rice Digital Scholarship Archive (Rice University)

The methodology of ultrafast multiple-mode multiple-dimensional vibrational spectroscopy has been developed and applied to investigate the vibrational energy dissipation in condensed phase. In particular, experiments have been focused on the studies of vibrational energy relaxation and mode-specific vibrational energy…

Solid-state spectroscopy and crystallographySpectroscopy and Quantum Chemical Studies

Phosphorescent iridium(III) complexes, copolymers and their applications

Nan Tian2014-08-12OpenAlex

This work is firstly focused on the synthesis of green, orange-red and red emitting heteroleptic iridium(III) complexes and their application as emitting materials in the area of OLEDs and oxygen sensors. Furthermore, in order to obtain energy transfer from the polymer backbone (host material) to the polymer-incorpora…

Lanthanide and Transition Metal ComplexesOrganic Light-Emitting Diodes ResearchConducting polymers and applications

Crystal growth and spectroscopic properties of praseodymium and ceriumco-doped Y2SiO5

郑丽和、徐晓东、Jun Xu2014-08-12OpenAlex

Praseodymium andceriumco-dopedyttriumsilicate(Pr,Ce:YSO)crystalwithhighopticalqualitywas grownbytheCzochralskimethod.Thesegregationcoefficient ofPr3+ and Ce3+ is measuredtobe0.547 and 0.136,respectively.Thepolarizedabsorptionbandscenteredat268nm,299nmand356nmwere assigned to4f(2F5/2)-5d inter-configurationtransitionso…

Photorefractive and Nonlinear OpticsSolid-state spectroscopy and crystallographyLuminescence Properties of Advanced Materials

Reactive intermediates in Cu MOR zeolites for alkane oxidation

Pieter Vanelderen、Ryan G. Hadt、Christine E. A. Kirschhock 等 6 位作者2014-08-12CaltechAUTHORS (California Institute of Technology)

The Cu^(2+)-O-Cu^(2+) core in ZSM-5 zeolite is, thus far, the only well-characterized copper intermediate in the methane to methanol reaction. This recent discovery has had a broad impact in the field of heterogeneous catalysis and bioinorg. chem. Next to its identification, its formation pathway both from N_2O and O_…

Advanced Nanomaterials in CatalysisComputational Drug Discovery MethodsMetal-Catalyzed Oxygenation Mechanisms