Three aspects of the research project ``Surface physics with cold and ultracold neutron reflectometry`` were stressed during the present first year: (1) Setup of the reflectometer facility at the research reactor of the Rhode Island Nuclear Science Center. The installation provides a narrow ``pencil beam`` analyzed by time of flight using a chopper system. Following beam characterization and a test measurement of the total cross section of copper single crystal first reflectivity measurements are currently performed using a supermirror. (2) Design stud for the ultracold neutron imaging system, with involvement of the relevant industry. Bids are available for several components indicating that it will be very difficult to build the entire system unless further funds become available. (3) Analysis of features of neutron reflection from surfaces with special emphasis on the effect of surface roughness both on the specular beam ...
Three aspects of the research project Surface physics with cold and ultracold neutron reflectometry'' were stressed during the present first year: (1) Setup of the reflectometer facility at the research reactor of the Rhode Island Nuclear Science Center. The installation provides a narrow pencil beam'' analyzed by time of flight using a chopper system. Following beam characterization and a test measurement of the total cross section of copper single crystal first reflectivity measurements are currently performed using a supermirror. (2) Design stud for the ultracold neutron imaging system, with involvement of the relevant industry. Bids are available for several components indicating that it will be very difficult to build the entire system unless further funds become available. (3) Analysis of features of neutron reflection from surfaces with special emphasis on the effect of surface ...
Within the past two and one half years of the project ``Surface Physics With Cold and Thermal Neutron Reflectometry`` a new thermal neutron reflectometer was constructed at the Rhode Island Nuclear Science Center (RINSC). It was used to study various liquid and solid surfaces. Furthermore, neutron reflection experiments were be un at different laboratories in collaboration with Dr. G.P. Fetcher (at Argonne National Laboratory), Dr. T. Russell (IBM Almaden) and Drs. S.K. Satija and A. Karim (at the National Institute for Standards and Technology). The available resources allowed partial construction of an imaging system for ultracold neutrons. It is expected to provide an extremely high resolution in momentum and energy transfer in surface studies using neutron reflectometry. Much of the work reported here was motivated by the possibility of later implementation at the planned Advanced Neutron Source at Oak Ridge. In a separate project the first ...
Trace gas molecules absorb specific wavelengths of incoming solar ... These data(with information collected from similar experiments carried on balloons, rockets, ... The ATMOS sensor instrumentis a state-of-the-art version of a 19th century ...
The spontaneous evolution from ultracold Rydberg atoms to plasma is investigated in a caesium MOT by using the method of field ionization. The plasma transferred from atoms in different Rydberg states (n=22-32) are obtained experimentally. Dependence of the threshold time of evolving to plasma and the threshold number of initial Rydberg atoms on the principal quantum number of initial Rydberg states is studied. The experimental results are in agreement with hot-cold Rydberg-Rydberg atom collision ionization theory. (authors)
...Correction Discussion Editorial Letter Opinion Review Short Note Technical Note Special Issue all A Systematic Development Method for Rational Drug Design Advances in Molecular Electronic Structure Calculations Algorithms and Molecular Sciences Antimicrobial Agents Application of Density Functional Theory Applications of Density Functional Theory Applications of Molecular Dynamics Atoms in Molecules ...
Abstract Over the last decade, the environmental sciences have witnessed an incredible movement towards the utilization of high-throughput molecular tools that are capable of detecting simultaneous changes of hundreds, and even thousands, of molecules and molecular components after exposure of organisms to different environmental stressors. These techniques have received a great deal of attention because they not only offer the potential to unravel novel mechanisms of physiological and toxic action but are also amenable to the discovery of biomarkers of exposure and effects. In this article, we review the state of knowledge of one of these tools in ecotoxicological research: proteomics. We summarize the state of proteomics research in fish, and follow with studies conducted with aquatic in...
Most of the investigations have a theoretical sustenance based on molecular simulation. The area of application of molecular simulation is very wide, in the Materials Technology Department assigned to the Applied Sciences Management have been treated problems about metallic nano structures, glasses, interfaces, and molecules, to sustain and to explain some of the experimental results. Energy calculations are carried out to determine minimum energy structures, for later on to carry out calculations of some of their properties; as well as the images simulation of Electron microscopy and X-ray diffraction. (Author)
We describe a new apparatus that combines pulsed laser excitation in a molecular beam with surface-science methods for preparation of clean single-crystal surfaces and detection of adsorbates to enable state-selected studies of gas-surface reaction dynamics. Reactant molecules are prepared in specific vibrationally excited states via overtone pumping using tunable, narrow-band laser radiation. The collision-free environment of the molecular beam prevents relaxation of the prepared molecules before impact on the target surface and enables complete control over the collision energy and incidence angle. Chemisorption products are detected after a given deposition time by Auger electron spectroscopy. To achieve sufficient beam flux of state-selected reactant molecules for product detection by standard surface-science techniques, we use a high-intensity, short-pulse molecular-beam source ...
Measurement results of total interaction cross sections averaged by the spectrum of ultracold neutrons (UCN) within the rate range from 3.2 to 5.7 m/s at the temperatures of 80 and 300 K for the following gases: hydrogen, parahydrogen, helium-4, nitrogen, neon, argon, xenon are presented. The experiment has been conducted conducted in the facility for UCN extraction, mounted in the radial channel of the WWR-K reactor. Experimental dependences of UCN counting rate on pressure of the investigated gases in the chamber varying from 0 to 1.5x10/sup 3/ torr are presented graphically. The measured total cross sections mainly satisfactorily agree with calculations, divergences are observed only for hydrogen and xenon.
The laser cooling and trapping of ultracold neutral dysprosium has been recently demonstrated using the broad, open 421-nm cycling transition. Narrow-line magneto-optical trapping of Dy on longer wavelength transitions would enable the preparation of ultracold Dy samples suitable for loading optical dipole traps and subsequent evaporative cooling. We have identified the closed 741-nm cycling transition as a candidate for the narrow-line cooling of Dy. We present experimental data on the isotope shifts, the hyperfine constants A and B, and the decay rate of the 741-nm transition. In addition, we report a measurement of the 421-nm transition's linewidth, which agrees with previous measurements. We summarize the laser cooling characteristics of these transitions as well as other narrow cycling transitions that may prove useful for cooling Dy.
The mission of the Health and Safety Research Division (HASRD) is to provide a sound scientific basis for the measurement and assessment of human health impacts of radiological and chemical substances. Our approach to fulfilling this mission is to conduct a broad program of experimental, theoretical, and field research based on a strong foundation of fundamental physical studies that blend into well-established programs in life sciences. Topics include biomedical screening techniques, biological and chemical sensors, risk assessment, health hazards, dosimetry, nuclear medicine, environmental pollution monitoring, electron-molecule interactions, interphase physics, surface physics, data base management, environmental mutagens, carcinogens, and tetratogens.
... and Security..........................13 Materials Science ... hybrid system theory, Internet analysis, materials science, mixing, physiology, iterative control ...
...Modern Languages Music Philosophy Faculty of Medicine Faculty of Medicine page Academic unit: Medicine Faculty of Natural and Environmental Sciences Faculty of Natural and Environmental Sciences page Academic units: Biological Sciences Chemistry National Oceanography Centre, Southampton Ocean and Earth Science Faculty of Physical and Applied Sciences Faculty of Physical and Applied Sciences page Academic units: Electronics and Computer Science Optoelectronics Research Centre Physics and Astronomy Faculty of Social and Human Sciences ...
A short synopsis of each project is given covering the following main areas of research and development: Atmospheric sciences; Biotechnology; Chemical and instrumentation analysis; Computer and information science; Design and manufacture engineering; Ecological science; Electronics and sensors; Experimental technology; Health protection and dosimetry; Hydrologic and geologic science; Marine sciences; Materials science; Nuclear science and engineering; Process science and engineering; Sociotechnical systems analysis; Statistics and applied mathematics; and Thermal and energy systems.
The previously unknown property of the optical speckle pattern reported. The interference of a speckle with the counterpropagating phase-conjugated (PC) speckle wave produces a randomly distributed ensemble of a twisted entities (ropes) surrounding optical vortex lines. These entities appear in a wide range of a randomly chosen speckle parameters inside the phase-conjugating mirrors regardless to an internal physical mechanism of the wave-front reversal. These numerically generated interference patterns are relevant to the Brillouin PC mirrors and to a four-wave mixing PC mirrors based upon laser trapped ultracold atomic cloud.
The pole trajectory of Efimov states for a three-body ??? system with ?? unbound and ?? bound is calculated using a zero-range Dirac-? potential. It is shown that a three-body bound state turns into a virtual one by increasing the ?? binding energy. This result is consistent with previous results for three equal mass particles. The present approach considers the n-n-18C halo nucleus. However, the results have good perspective to be tested and applied in ultracold atomic systems, where one can realize such three-body configuration with tunable two-body interaction. Presented at the 20th Few-Body Conference, Pisa, Italy, 10-14 September 2007. (author)
We present numerical calculations for cesium and mercury to estimate the sensitivity of the scattering length to the variation of the fine structure constant alpha. The method used follows ideas Chin and Flambaum [Phys. Rev. Lett. 96, 230801 (2006)], where the sensitivity to the variation of the electron to proton mass ratio, beta, was considered. We demonstrate that for heavy systems, the sensitivity to variation of alpha is of the same order of magnitude as to variation of beta. Near narrow Feshbach resonances the enhancement of the sensitivity may exceed nine orders of magnitude.
In 1959 Zeldovich pointed out to the possibility of storage in a closed vessel of very slow neutrons with energies below less than or equal to 10"-"7 eV noting that one may achieve the storage time up to the lifetime of a free neutron before #beta#-decay (approx.10"3 sec). This possibility is due to the effective repulsing potential which describes the interaction of slow neutrons with many substances employing a strong suppression of inelastic processes in the reflection of ultracold neutrons (UCN). In a series of experiments beginning 1968 the effective methods were developed of obtaining pure UCN beams from the maxwellian spectrum of thermal neutrons. The UCN beams of intensity about 10"3 n/sec and density up to 10"2 n/liter were obtained at the reactors with thermal neutron flux of 5 x 10"1"3 n/cm"2 sec. Such UCN beam parameters allow to measure easily the UCN storage time in different vessels and under different conditions. Maximum UCN storage time achieved in ...
Due to the increased computer power and advanced algorithms, quantum mechanical calculations based on Density Functional Theory are more and more widely used to solve real materials science problems. In this context large nonlinear generalized eigenvalue problems must be solved repeatedly to calculate the electronic ground state of a solid or molecule. Due to the nonlinear nature of this problem, an iterative solution of the eigenvalue problem can be more efficient provided it does not disturb the convergence of the self-consistent-field problem. The blocked Davidson method is one of the widely used and efficient schemes for that purpose, but its performance depends critically on the preconditioning, i.e. the procedure to improve the search space for an accurate solution. For more diagonally dominated problems, which appear typically for plane wave based pseudopotential calculations, the inverse of the diagonal of (H - ES) is used. However, for ...
... and Engineering (NISE), Instructional Materials Development in Nanoscale Science and Engineering ... & Physical Sciences, Division of Materials Research, 1065 N, telephone: (703) 292-4937, email: lhess ...
This is Japan Report with Science and Technology. It contains the issues with different topics on biotecnology, defense industry, nuclear engineering, Marine technology, science and technology policy.
An intemted approach to building a networking infrastructure is an absolute necessiry for meeting the multidisciplinary science networking requirements of ...
A method to identify hadronic molecules in the particle spectrum is reviewed and the conditions for its applicability discussed. Special emphasis is put on the discussion of molecule candidates in the baryon spectrum. (orig.)
We study the ground state of an ideal coupled two-component gas of ultracold atoms in a one dimensional optical lattice, either bosons or fermions. Due to the internal two-level structure of the atoms, the Brillouin zone is twice as large as imposed by the periodicity of the lattice potential. This is reflected in the Bloch dispersion curves, where the energy bands regularly possess several local minima. As a consequence, when the system parameters are tuned across a resonance condition, a non-zero temperature topological first order phase transition occurs which arises from an interplay between initernal and kinetic atomic energies. It is shown that these phenomena are also captured for two and three dimensional optical lattices.
The Advanced Neutron Source will be a new world-class facility for research using hot, thermal, cold, and ultra-cold neutrons. The heart of the facility will be a 330-MW (fission), heavy-water cooled and heavy-water moderated reactor. The reactor will be housed in a central reactor building, with supporting equipment located in an adjoining reactor support building. An array of cold neutron guides will fan out into a large guide hall, housing about 30 neutron research stations. Appropriate office, laboratory, and shop facilities will be included to provide a complete facility for users. The ANS is scheduled to begin operation at the Oak Ridge National Laboratory early in the next decade. This PDR document defines the plant-level requirements for the design, construction, and operation of ANS. It also defines and provides input to the individual System Design Description (SDD) documents. Together, this PDR document and the set of SDD documents will define and ...
Environmental computer science is a new partial discipline of applied computer science, which makes use of methods and techniques of information processing in environmental protection. Thanks to the inter-disciplinary nature of environmental problems, computer science acts as a mediator between numerous disciplines and institutions in this sector. The handbook reflects the broad spectrum of state-of-the art environmental computer science. The following important subjects are dealt with: Environmental databases and information systems, environmental monitoring, modelling and simulation, visualization of environmental data and knowledge-based systems in the environmental sector. (orig.).
...EU Descartes Prizes for excellence in research and science communication descartes, prize, science communication, research, rtd, european commission, ...european union, eu EU Descartes Prizes for excellence in research and science communication Research - EU Descartes Prizes for excellence in research and science ...communication en European Commission Research Descartes Prize Contact | Search ...
...Explore - The Lab - Australian Broadcasting Corporation's Gateway to Science Radio TV Shop News Sport Local Children Science Environment more Topics help Science Home News in Science Features Explore TV & Radio Dr Karl Play Podcasts DNA - The discovery of the double helix structure of DNA completely changed biology and opened up the new field of genetics. The 'backbone of life' has given us the human genome, stem cell research, ...
Al Fleig, PITA Analytic Sciences. 7th Earth Science Data Systems Working Group Meeting ..... The Reuse Industry in Brazil, CESAR, and the Reuse in Software ...
... Programmatic Terms and Conditions for the Materials Research Science and Engineering Centers (MRSEC ... NSF Grants Officer. 2. Program Description: Materials Research Science and Engineering Centers ...
The discovery of nearly sixty molecules, often unstable or complexes, in the interstellar space has been one of the greatest surprises of contemporary astronomy. We may, indeed, be surprised that molecules having up to 13 atoms might be synthetized in an extremely diluted space and at a very low temperature. That these molecules are, most of all, organic molecules is another astonishing subject, at least for the non-specialist. The interstellar molecule formation is indeed well understood nowadays, at least for the simplest ones. This article takes stock of interstellar chemistry which is essentially an ionic chemistry very different from laboratory chemistry.
...Find leading Geography, Geology & Environmental Sciences books and other products at wiley.com, the online home of John Wiley & ... 350681+Geography%2C+Geology+%26+Environmental+Sciences Wiley::Geography, Geology & Environmental Sciences WILEY KNOWLEDGE FOR GENERATIONS United States Change ...Home Subjects About Wiley CART | MY ACCOUNT | CONTACT US | HELP Home / Geography, Geology & Environmental Sciences BROWSE SUBJECTS IN Geography, Geology &...Politics Environmental Ethics Environmental Management, Policy & Planning Environmental Science Environmental Studies Geography Geology & Geophysics Oceanography & Paleoceanography View only Textbooks and ...
... 300715+Ceramic+Engineering+and+Science+Proceedings 2122%28Series+Code%29+Ceramic+Engineering+and+Science+Proceedings Wiley::Ceramic Engineering and Science Proceedings WILEY KNOWLEDGE FOR ...CART | MY ACCOUNT | CONTACT US | HELP Home / Engineering & Materials Science / Materials Science / Ceramic Engineering and Science Proceedings Related Subjects Soft Matter Organic Electronics Structural ...Materials, Ceramics Structural Materials, Composites Structural Materials or Construction Materials Corrosion Electronics Materials Related Series Ceramic Transactions Series Wiley Series in Materials for ...Electronic and Optoelectric Applications Ceramic Engineering and Science Proceedings (CESP) contain proceedings from three American Ceramic Society (ACerS) meetings: ...
Aug 1, 2011 ... James holds a Bachelor of Science degree in Computer Science and certifications as CISSP, CCNA, and CCDA. show hide. Phillip A. Newman ...
Light Weight Composite Mirrors for Science Instruments. Composite Optics, Inc. San Diego, CA. INNOVATION. Light weight, large aperture reflectors of graphite ...
Mar 15, 2011 ... Information Technology. NCCS Discover Supercomputer. Science mission data collection, analysis and simulations pose unprecedented computer ...
This article examines how politics and science interacted against a background of uncertainty to shape policy in the case of environmental contamination by polybrominated biphenyls (PBB) in Michigan....Full Text Available
Philosophy of science was once a much more socially engaged endeavor, and can be so again. After a look back at philosophy of science in the 1930s?1950s, I turn to discuss the current potential for returning to a more engaged philosophy of science. Although philosophers of science have much to offer scientists and the public, I am skeptical that much can be gained by philosophers importing off-the-shelf discussions from philosophy of science to science and society. Such efforts will likely look like efforts to do applied ethics by merely applying ethical theories to particular contexts and problems. While some insight can be gained by these kinds of endeavors, the most interesting and pressing problems for the actual practitioners and users of science are rarely addressed. Instead, I recom...
with Science, Dr. Barbara McQuiston of the Defense Advanced Research Projects Agency (DARPA), spoke about a few interesting ways the Department of Defense is trying to...
The 1.7 billion pounds of benzene produced each year in the US provide one measure of its utility. At the same time, there are a number of environmental reasons for avoiding the use of benzene in chemical manufacture. Perhaps most compelling: benzene is a potent carcinogen. Scrutiny of many of the chemicals derived from benzene reveals that each molecule contains at least one oxygen atom while benzene completely lacks oxygen atoms. Introduction of oxygen to make up for this lack can require processes that are environmentally problematic. One of the steps used to introduce oxygen atoms during manufacture of adipic acid, a component of Nylon 66, is responsible for 10% of the annual global increase in atmospheric nitrous oxide. This by-product is a causative agent of atmospheric ozone depletion and has been implicated in global warming. With support from EPA and the National Science Foundation, alternative manufacturing processes are being ...
We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and ...
Ultraveiolet spectroscopy of molecules in vapour phase gives valuable information about electronic structure of free molecules. But in many cases vaipour phase investigations are not possible and in order to isolate molecules within solid lattice, we used cryogenic temperature and high vacuum technology to study absorption spectrum within the spectral range (230-270)nm of an isolated benzene molecule in Argon, Krpton, Nitrogen, Carbon and methane matrices. The spectra shifts were measured and calculated in the matrix environment for the electronnic transition (B 24--A 19) in benzene molecule using the matrices mentioned above. Molar extinction coefficients and oscillator strength were measured too. (7 tabs., 32 figs., 50 refs.).
...The number of documents that contain the keyword absolute zero is: 2 EU Descartes Prizes for excellence in research and science communication EU Descartes Prizes ...for excellence in research and science communication -Chemistry Close to Absolute Zero - Descartes Prize 2000 - Winner- Ian Smith EU Descartes Prizes for excellence ...in research and science communication EU Descartes Prizes for excellence in research and science communication -Chemistry Close to Absolute Zero - Descartes Prize 2000 ...
The development of modern techniques for the cooling and the manipulation of atoms in recent years, and the possibility to create Bose-Einstein condensates and degenerate Fermi gases and to load them into regular optical lattices or disordered optical potentials, has evoked new interest for the disorder-induced localization of ultra-cold atoms. This work studies the transport properties of matter waves in disordered optical potentials, which are also known as speckle potentials. The effect of correlated disorder on localization is first studied numerically in the framework of the Anderson model. The relevant transport parameters in the configuration average over many different realizations of the speckle potential are then determined analytically, using self-consistent diagrammatic perturbation techniques. This allows to make predictions for a possible experimental observation of coherent transport phenomena for cold atoms in speckle potentials. Of particular ...
Classical control theory has played a major role in the development of present-day technologies. Likewise, recently developed quantum optimal control methods can be applied to emerging quantum technologies, e.g. quantum information processing -- until now, at the level of a few qubits. However, such methods encounter severe limits when applied to many-body quantum systems: due to the complexity of simulating the latter, existing quantum control algorithms (requiring many iterations to converge) usually fail to yield a desired final state within an acceptable computational time. In contrast, we present here a strategy for controlling a vast range of non-integrable one-dimensional systems that is efficiently applicable to quantum many-body systems, as it can be merged with state-of-the-art tensor network simulation methods like the Density Matrix Renormalization Group. To demonstrate its potential, we employ it to solve a major issue in current optical-lattice physics with ...
The Advanced Neutron Source will be a new world-class facility for research using hot, thermal, cold, and ultra-cold neutrons. The heart of the facility will be a 330-MW (fission), heavy-water cooled and heavy-water moderated reactor. The reactor will be housed in a central reactor building, with supporting equipment located in an adjoining reactor support building. An array of cold neutron guides will fan out into a large guide hall, housing about 30 neutron research stations. Appropriate office, laboratory, and shop facilities will be included to provide a complete facility for users. The ANS is scheduled to begin operation at the Oak Ridge National Laboratory early in the next decade. This PDR document defines the plant-level requirements for the design, construction, and operation of ANS. It also defines and provides input to the individual System Design Description (SDD) documents. Together, this PDR document and the set of SDD documents will define and ...
A method for the study of conjugated polyelectrolyte (CPE) photophysics in solution at the single-molecule level is described. Extended observation times of single polymer molecules are enabled by the...Full Text Available
This poster describes single-molecule tracking and total internal reflection fluorescence microscopy. It discusses whether the carbohydrate-binding module (CBM) moves on cellulose, how the CBM binds to cellulose, and the mechanism of cellulosome assembly.
Solid molecular orthohydrogen exhibits orientational order at low temperatures. The orthohydrogen molecules, which are quadrupoles, order in the Pa3 structure. We have simulated this ordering, and explored the behaviour under dilution by spherical parahydrogen molecules.
The kinetic parameters of single bonds between neural cell adhesion molecules were determined from atomic force microscope measurements of the forced dissociation of the homophilic protein-protein bonds....Full Text Available
The hyperfine splitting in the rotational levels of the C/sub 2/H molecule is calculated as far as N = 10. Line strengths and transition probabilities are determined for permitted transitions with DN = 1, DF = 0, +- 1.
The mechanism by which mechanical force regulates the kinetics of a chemical reaction is unknown. Here, we use single-molecule force–clamp spectroscopy and protein engineering to study the effect...Full Text Available
Investigations of enzymes involved in DNA metabolism have strongly benefited from the establishment of single molecule techniques. These experiments frequently require elaborate DNA substrates, which...Full Text Available
Isotopically selective IR multiphoton dissociation of molecules (SF_6, CF_3I) in a pulsed gas-dynamic flow interacting with a solid surface was studied for the first time. A noticeable (severalfold) increase in the yield of products (compared to excitation of molecules in an unperturbed flow) without a substantial decrease in the selectivity of the process was observed. Possible reasons for the effect are discussed. (laser applications and other topics in quantum electronics)
Immunoassays are versatile analytical techniques that had a leading role in various clinical applications, during the last four decades. The studies carried out by Rosalyn Yalow, Solomon Berson and Roger Ekins in the 1960s gave a breakthrough in the development of this novel analytical method. Sensitivity up to femtomolar concentrations, high specificity and universal application to different classes of molecular species made immunoassay a very useful tool in analytical investigation. The expertise acquired by immunochemists in producing antibodies against any antigen and the ability of radiochemists in labeling the antigens with "1"2"5I without affecting the active site are the two main factors responsible for the above development. There are concerns about the safety and health of humans due to the high-level contamination of environment by pesticides, industrial compounds and metals, anabolic steroids in milk and meat products, and presence of mycotoxins in food and feed ...
The interaction between molecules and solid surfaces plays important roles in various applications, including catalysis, sensors, nanoelectronics, and solar cells. Surprisingly, a full understanding of molecule-surface interaction at the quantum mechanical level has not been achieved even for very simple molecules, such as water. In this mini-review, we report recent progresses and current status of studies on interaction between representative molecules and surfaces. Taking water/metal, DNA bases/carbon nanotube, and organic dye molecule/oxide as examples, we focus on the understanding on the microstructure, electronic property, and electron-ion dynamics involved in these systems obtained from first-principles quantum mechanical calculations. We find that a quantum mechanical description ...
Radiation damage is considered to be the major problem that still prevents imaging an individual biological molecule for structural analysis. So far, all known mapping techniques using sufficient short wave-length radiation, be it X-rays or high energy electrons, circumvent this problem by averaging over many molecules. Averaging, however, leaves conformational details uncovered. Even the anticipated use of ultra-short but extremely bright X-ray bursts of a Free Electron Laser shall afford averaging over 10^6 molecules to arrive at atomic resolution. Here we present direct experimental evidence for non-destructive imaging of individual DNA molecules. In fact, we show that DNA withstands coherent low energy electron radiation with deBroglie wavelength in the Angstrom regime despite a vast dose of 10^8 electrons/nm^2 accumulated over more than one hour.
A theoretical analysis of formation and symmetry transformations is presented for Wigner molecules with N = 2,..., 20 electrons confined in quantum dots at high magnetic fields. Using the unrestricted Hartree-Fock method with the multicentre Gaussian basis, we have found that Wigner molecules with N {>=} 6 abruptly change their shape and symmetry with an associated jump in the first derivative of the ground-state energy, i.e. they undergo phase transitions. In particular, the phases of the Wigner molecules obtained just after emerging from the maximum-density droplet (MDD) phase possess a different symmetry from that formed at a high magnetic field. We show that the properties of the electron-electron interaction energy demonstrate very well both the breakdown of the MDD and the quasi-classical character of the Wigner molecule in the high magnetic field. Possible mechanisms of the MDD decay are ...
The light gain due to S/sub 2/ molecules in a supersonically cooled gas mixture is calculated. The S/sub 2/ molecules formed due to the recombination of the sulfur atoms, and the combustion gas mixture was preheated in a precombustion chamber. Optimal gas flow and nozzle parameters are found which correspond to the highest possible light gain using Cs/sub 2/-Ar and S/sub 2/-Ar gas mixtures. The steady state gas flow in the nozzle was calculated, taking into account the chemical reactions in the one-dimensional approximation. It is shown that the maximum gain values vary in the 0.0001-0.002 range for gas pressures in the precombustion chamber in the range 10-100 atm. The optimal initial relative concentration of Cs/sub 2/ molecules and S/sub 2/ molecules are given. 32 references.
The aim of this project is to investigate the dependence of the cross sections for dissociative electron attachment to a molecule on the initial rovibrational state of the molecule. An enhancement of the cross section results in the enhancement of the rate of production of negative ion beams. Preliminary investigations reveal that for lithium dimers, Li/sub 2/, the peak attachment cross sections can increase by almost an order of magnitude if the molecule is initially vibrationally excited to the v = 1 level. Excitation to higher vibrational levels would result in further enhancement of the attachment rates. As part of present investigations, the cross sections for vibrational excitation of various molecules, using both resonant and nonresonant mechanisms is calculated.
The two primary objectives of the proposal were (1) to enhance science and technology infrastructure, faculty development, and curriculum by integrating technology throughout science education programs of study, and (2) to increase faculty and students` knowledge of and skills in modern technologies that are designed to enhance the effectiveness of teaching and learning through education, research and communications. These two primary objectives have been accomplished through: Installation and operation of a technology-ready classroom; Upgrading CIS 200 Introduction to Computers; Upgrading all science laboratory courses to include integration of science and technology through installation of computers; Faculty development through attendance at workshops, seminars, or conferences related to technology applicable to sciences; and Undergraduate research internships at the Oak Ridge ...
The paper gives results of a study to identify active sites and surface functional groups that may contribute to the absorption of elemental mercury (Hg) by relatively inexpensive calcium (Ca)-based sorbents. The study investigated the formation of chlorine (Cl) sites in CA-based sorbents as well as their role and reactivity in the absorption of Hg. HCl-exposed calcium sulfate dihydrate (gypsum) exhibited a superior Hg sorption capability. Crystalline water molecules on the surface of the gypsum were confirmed to contribute indirectly to Hg uptake. These surface molecules may have absorbed HC1 through hydrogen bond formation between an oxygen atom of a crystalline water molecule and a hydrogen atom of an HCl molecule. Two adjacent, physically absorbed HCl molecules could then trap an Hg molecule through formation of a mercuric-chloride-like ...
The paper gives results of a study to identify active sites and surface functional groups that may contribute to the absorption of elemental mercury (Hg) by relatively inexpensive calcium (Ca)-based sorbents. The study investigated the formation of chlorine (Cl) sites in CA-based sorbents as well as their role and reactivity in the absorption of Hg. HCl-exposed calcium sulfate dihydrate (gypsum) exhibited a superior Hg sorption capability. Crystalline water molecules on the surface of the gypsum were confirmed to contribute indirectly to Hg uptake. These surface molecules may have absorbed HC1 through hydrogen bond formation between an oxygen atom of a crystalline water molecule and a hydrogen atom of an HCl molecule. Two adjacent, physically absorbed HCl molecules could then trap an Hg molecule through formation of a mercuric-chloride-like ...
for? Learn the Issues Science & Technology Laws & Regulations About EPA Contact Us Water: Water Quality Criteria You are here: Water Science & Technology Surface Water Standards &...
This article aims to open up the biographical black box of three experts working in the boundary zone between science, policy and public debate. A biographical-narrative approach is used to analyse...Full Text Available
Systems biology is a rapidly expanding field that integrates diverse areas of science such as physics, engineering, computer science, mathematics, and biology toward the goal of elucidating the underlying...Full Text Available
... such as biology, physics, geology, materials science, engineering, computer science, and mathematics ... expected to produce course and curricular materials that will be of national interest and widely ...
... His work has been recognised with numerous honours, including Fellow of the Australian Academy of Science; International Research Scholarships from the Howard Hughes Medical Institute ; a Wellcome Trust Fellowship; the Glaxo-Wellcome Australia Medal; the Australian Academy of Science Gottschalk Medal; the Boehringer Mannheim Medal;...
This article describes the new Health Sciences Library at the University of Virginia Medical Center in Charlottesville, Virginia. The library was under construction for about two years and opened in...Full Text Available
indian academy of sciences - journal of astrophysics and astronomy on astronomy (eds. v. k. kapahi, n. k. dadhich, g. swarup and special issue in honour of s. chandrasekhar big bang and alternative cosmologies; ...
This project reflected cooperation across the disciplines in the physical sciences, engineering, mathematics and computer science. The University of the Pacific served as the center for this pre-college program. The idea was to use this link as a pilot program.
Molecular life science is one of the fastest-growing fields of scientific and technical innovation, and biotechnology has profound effects on many aspects of daily life—often with deep, ethical...Full Text Available
As requested by the Under Secretary of Defense (Acquisition, Technology, and Logistics) and the Director DARPA, the Defense Science Board task force performed a one-time independent evaluation of the technology investment for the Defense Advanced Research...
The national standards and state derivatives must be reinforced by models of curricular reform. In this paper, ARISE presents one model based on a set of principles--coherence, integration of the sciences, movement from concrete ideas to abstract ones, inquiry, connection and application, sequencing that is responsive to how people learn.
Objective was to follow the cognitive and creative processes demonstrated by student research participants as they integrated a developing knowledge of ``big`` science, as practiced at LLNL, into a personal and idiosyncratic visual, graphical, or multimedia product. The participants, all non-scientists, involved in this process, attended a series of design classes, sponsored by LLNL at the Art Center College of Design in Pasadena CA. As a result of this study, we have become interested in the possibility of similar characteristics between scientists and artists. We have also become interested in the different processes that can be used to teach science to non-scientists, so that they are able to understand and portray scientific information.
hicle [UUV (essentially, a small ex- ploratory submarine robot)] of a type that has been deployed in large numbers in research pertaining to global warm- ...
System). From collecting terabytes of video footage to tracking the movements of the submarines, this software is essential to the science team as they explore unique structures on...
... Progress: For a one-dimensional two-phase degenerate Stefan problem, it was proved that the boundary and the solutions up to the boundary are C ...
digital libraries, which was identified as a national challenge in the Information ... The linkages between the many digital libraries and information services are ...
... many intriguing new possibilities in the materials sciences. Or consider solitons, a mathematical ... point out that advanced instrumentation, new materials, novel production methods, and efficient ...
The use of X-ray scattering techniques in pharmaceutical science is increasing, in part through increased collaborations with the materials science community, and through increased availability of instrumentation, particularly synchrotron sources. The ability to understand not only the biopharmaceutical outcome, but also arguably, more importantly, the structural aspects of drugs and drug delivery systems, is essential to progressing pharmaceutical science; this review serves as an introduction to the major techniques and the wide range of areas in which X-ray scattering may be applied in understanding and controlling structure in pharmaceutical systems.
02.10.10 - NASA and Texas Instruments are using the theme of human space exploration to develop digital libraries of math and science problems for high ...
DescriptionThis new research programme activity on Urban Atmospheric Science will deliver aspects of the NERC strategy: Next Generation Science for Planet Earth. It has been developed as part of the Environment, Pollution & Human Health theme. Research in the Environment, Pollution & Human Health theme is directed at elucidating key environmental processes that form part of a causal pathway between an environmental hazard and disease outcome, and providing a predictive capability of the risk to human heal [continued...
... Rachel has also studied Geological Oceanography at the School of Ocean and Earth Sciences, University of Wales, Bangor, including a year spent at the Institute of Oceanographic Sciences Deacon Laboratory, Surrey, as a student researcher for the British Mid-Ocean Ridge Initiative (BRIDGE). Rachel has authored the following 1 Working Papers: 2002 ecm-2002-05 Towards Integrated Catchment/Coastal Management: Science, Policy ...
Neutron Science Project was started at Japan Atomic Energy Research Institute since 1996 for promoting futuristic basic science and nuclear technology utilizing neutrons. For this purpose, research and developments of intense proton accelerator and spallation neutron target were initiated. The present paper describes the current status of such research and developments. (author)
...), The SAGE Encyclopaedia of Social Science Research Methods, London: Sage Publications. Corti, L. (2003) 'Data Archives' ...), The SAGE Encyclopaedia of Social Science Research Methods, London: Sage Publications. Corti, L. and Barker, E. ...), The SAGE Encyclopaedia of Social Science Research Methods, London: Sage Publications. Corti, L. (2003) 'Qualitative Research ...
This report summarizes the research and development activities of Los Alamos National Laboratory's Life Sciences Division for the calendar year 1988. Technical reports related to the current status of projects are presented in sufficient detail to permit the informed reader to assess their scope and significance. Summaries useful to the casual reader desiring general information have been prepared by the Group Leaders and appear in each group overview. Investigators on the staff of the Life Sciences Division will be pleased to provide further information.
kodali, mr (iii b.tech.) anil neerukonda inst. of science and chandrashekaran ramachandra reddy shekhar c mande lang="en-gb">kandavelmani, reg. cancer cen., trivandrum panda panda lang="en-gb">dr anand imtech, chandigarh lang="en-gb">ravichandran, reg. cancer cen., trivandrum reg. cancer cen., trivandrum chandrasekar, dr (lecturer) psg college of arts & science, imtech, chandigarh ...
Summaries of the highlights of programs in the Earth Sciences Division are presented under four headings; Geosciences, Geothermal Energy Development, Nuclear Waste Isolation, and Marine Sciences. Utilizing both basic and applied research in a wide spectrum of topics, these programs are providing results that will be of value in helping to secure the nation's energy future. Separate abstracts have been prepared for each project for inclusion in the Energy Data Base. (DMC)
China and CERN renew co-operation agreement for a further five years. During a visit to CERN on 17 February, Liu Yanhua, the vice-minister of science and technology of the People's Republic of China, signed a new co-operation agreement with the laboratory.
The investigation of interfaces between thin organic films and metal surfaces is a field of highest interest because it represents the basis for future applications of organic electronic devices. In this context, phtalocyanines are of particular interest since repulsive intermolecular interaction was found recently for this group of organic molecules. Tin(II)-phtalocyanine (SnPc) is non-planar and can adsorb in two different geometries: with the Sn atom pointing downwards (Sn down) or upwards (Sn up). In our group different Pc molecules have previously been studied using several experimental techniques like SPA-LEED or XSW. Here we present STM studies of SnPc on Ag(111), taken at different coverages and temperatures, and discuss the results in the context of our previous findings. At low coverages the formation of chains can be observed for Sn down molecules while Sn up molecules tend to stay separated. ...
Some of the most important problems facing the United States and China, indeed facing our entire planet, require approaches that are fundamentally multidisciplinary in nature. Many of those require skills in computer science (CS), basic understanding of another discipline, and the ability to apply the skills in one discipline to the problems of another. Modern training in computer science needs to prepare students to work in other disciplines or to work on multidisciplinary problems. What do we do to prepare them for a multidisciplinary world when there are already too many things we want to teach them about computer science? This paper describes successful examples of multidisciplinary education at the interface between CS and the biological sciences, as well as other examples involving C...
Japan Atomic Energy Research Institute (JAERI) is developing the world`s strongest spallation neutron source using high power proton accelerator and promoting a neutron science project for comprehensive studies on basic science and nuclear transmutation of high-level radioactive nuclide from nuclear power stations. For this purpose, JAERI organized the Special Taskforce for Neutron Science and OMEGA Project in April 1996 and reorganized it to Center for Neutron Science in April 1997. During this period, various research plans using the spallation neutron source are proposed and facilities necessary for research are studied by mainly research groups of JAERI. This report describes research plans and results of the preliminary conceptual design study on proposed facilities plan. (author)
The Teachers` Academy for Mathematics and Science in Chicago (TAMS) is a freestanding institution founded in 1989 by scientists and a variety of other stakeholders, to advance the systemic reform of mathematics and science education in Chicago`s public schools. It focuses on the ``re-tooling`` of its elementary level teachers. The TAMS program, which has been funded in part by the DOE, contributes to strategic goals two through five of the Office of University and Science Education (OUSE). This evaluation of TAMS by the National Center for Improving Science Education is primarily a qualitative study that summarizes the history and current status of the organization and its programs. Data was obtained through extensive interviews, observations, and document review, using a framework of templates to guide data collection and analyses. The findings are organized around a series of lessons learned from the ...
There is very little known about the long-term evolution of the MHC and MHC-like molecules. This is because both the theory (the evolutionary questions and models) and the practice (the animals systems, functional assays and reagents to identify and characterize these molecules) have been difficult to develop. There is no molecular evidence yet to decide whether vertebrate immune systems (and particularly the MHC molecules) are evolutionarily related to invertebrate allorecognition systems, and the functional evidence can be interpreted either way. Even among the vertebrates, there is great heterogeneity in the quality and quantity of the immune response. The functional evidence for T-lymphocyte function in jawless and cartilagenous fish is poor, while the bony fish seem to have many characteristics of a mammalian immune system. The organization and sequence of fish Ig genes also indicate that important events in the ...
Atoms in very high Rydberg states, 100 approx-lt n approx-lt 1100, are used to investigate electron-molecule interactions at electron energies extending down to a few microelectronvolts. At such energies the cross section for electron capture by CCl_4 is observed to vary inversely with electron velocity, indicative of an s-wave process. Studies with the polar target CH_3Cl suggest that dipole-supported states may be important in inelastic electron-polar molecule scattering at very low electron energies.
Alternative mechanisms of electron state excitation in diatomic molecules are examined with reference to CN and C2 molecules forming in chemical reactions behind strong shock wave fronts in a CO(CO2)-N2 gas mixture. The temperature range considered is 4000-8000 K. An effective excitation mechanism is proposed which involves rapid vibration-rotation excitation at all electron states and nonradiative transitions between perturbed electron states induced by collisions with the ambient gas particles.
The interaction of free electrons in the energy range from 0 to 10 eV with molecules at different stages of aggregation is investigated. The mechanism in the gas phase under single collision conditions is described. Fullerenes C_6_0 and C_7_0 are used as targets. Electron impact on condensed molecules can lead to temporary negative ions. The formation of Cl"- from gas phase CCl_4 and the desorption of Cl"- from 6 monolayer CCl_4 film on an Au substrate is determined experimentally. (Suda).
We report on the effect of potato maltodextrins with variable dextrose equivalent (Paselli SA-2, SA-6 and SA-10) on the surface behavior at the air-water interface of the mixture: legumin+small-molecule surfactant. Distinct in nature small-molecule surfactants (model: sodium salt of capric acid, Na-caprate; and commercially important: a citric acid ester of monoglyceride, CITREM) have been under our consideration. The role of the structure of both of the maltodextrins and the small-molecule surfactants in the effect studied has been elucidated by measurements in a bulk aqueous medium of the enthalpy of their interaction from mixing calorimetry, value of weight average molecular weight of the maltodextrins and the thermodynamics of the pair maltodextrin-solvent and maltodextrin-protein interactions from laser static light scattering. The combined data of mixing calorimetry and light scattering suggest some complex formation ...
There is considerable evidence that purines are vasoactive molecules involved in the regulation of blood flow. Adenosine is a well known vasodilator that also acts as a modulator of the response to...Full Text Available
Diverse cell polarity networks require positive feedback for locally amplifying distributions of signalling molecules at the plasma membrane1. Additional...Full Text Available
Schizophrenia is a heterogeneous psychiatric disorder in which multiple neurotransmitter systems have been implicated. Increased and decreased dopamine transmission in the subcortical meso-limbic and...Full Text Available
... Here we will summarize the synthesis, structure activity relationships , and molecular sites of action of mGluR5 PAMs. We will also review preclinical studies ...
On efficient glass capillary columns packed with graphitized thermal carbon black (GTCB) the stereoisomers of aromatic and saturated tricyclic hydrocarbons are completely separated and identified. The Henry's adsorption constants of the individual isomers were determined from mixture at different temperatures. Five isomers of perhydroanthracene, five isomers of perhydrofluorene, two isomers of perhydrophenalene, four isomers of perhydroacenaphthene, as well as phenalene, dihydrophenalene, acenaphthene and acenaphthylene were investigated. The increase of the hydrogenization degree of unsaturated tricyclic hydrocarbons reduces the retention. Among the saturated tricyclic isomers the retention becomes shorter with the larger bending of the molecules, i.e. from the molecule having more equatorial bonds to the molecules having more axial connections. The experimentally determined Henry's constants were ...
The present invention relates generally to an apparatus and method for separating high molecular weight molecules from low molecular weight molecules. More specifically, the invention relates to the use of microdialysis for removal of the salt (low molecular weight molecules) from a nucleotide sample (high molecular weight molecules) for ESI-MS analysis. The dialysis or separation performance of the present invention is improved by (1) increasing dialysis temperature thereby increasing desalting efficiency and improving spectrum quality; (2) adding piperidine and imidazole to the dialysis buffer solution and reducing charge states and further increasing detection sensitivity for DNA; (3) using low concentrations of dialysis buffer and shifting the DNA negative ions to higher charge states, producing a nearly 10-fold increase in detection sensitivity and a slightly decreased desalting efficiency, or (4) ...
Anthracene-bis-resorcinol is an interesting molecule as it forms a hydrogen-bonded network when guest molecules with weak polarity are included. Focused ion beam (FIB) was irradiated on a part of its amorphous film with low dose, and the film was exposed to the vapor of guest molecules. From fluorescence and AFM analyses of this film, it was found that no inclusion compound was formed in FIB irradiated area, i.e. FIB irradiation suppresses the ability to form the inclusion compounds. By utilizing this phenomenon, we succeeded in a microfabrication of relief structures consisting of inclusion compounds which has different fluorescence from its surrounding. Morphology, fluorescence, and IR absorption analyses indicated that hydroxyl or resorcin groups are damaged by ion beams, and consequently a formation of hydrogen-bonded networks, which play a role of a lattice caging guest molecules, becomes ...
Since the elucidation of the structure of double helical DNA, the construction of small molecules that recognize and react at specific DNA sites has been an area of considerable interest. In...Full Text Available
Rabbit antisera raised to human and chicken MHC molecules were used to immunoprecipitate cross-reactive molecules from biosynthetically and cell surface-labeled spleen and/or blood cells of representative vertebrate species. Five major points emerged: 1) There were many nonspecific cross-reactions using these techniques, so various criteria were developed to distinguish these from true MHC-like molecules. 2) Only very small subpopulations of immunogen-specific antibodies cross-reacted with MHC-like molecules in other nonmammalian species. These subpopulations were different for each species and even within a species, sometimes being so limited as to behave like alloantisera. This led to a very scattered pattern of true cross-reactions that sometimes failed to reflect the properties of the bulk antibody population. 3) Antisera containing antibodies to class II beta- and class I alpha-chains cross-reacted ...
BackgroundMany molecules of interest are flexible and undergo significant shape deformation as part of their function, but most existing methods of molecular shape comparison (MSC)...Full Text Available
The comprehensive theoretical and experimental study of the adsorption of water and methanol molecules on active sites (carboxyl and phenol hydroxyl groups) on the graphitized thermal carbon black is performed. It is shown that microclusters formed upon the adsorption of these molecules on such sites are characterized by the cyclic structure comprising 4?5 molecules similar to that whose existence was revealed previously in liquid water and on the surface of silver iodide. The analysis of the studied adsorption clusters demonstrated that the formation of such cycles is governed primarily by the hydrogen bonding; however, a definite role is played also by energy effects associated with the changes in the state of molecular motion during adsorption. It is shown that the generalized Langmuir ...
The nitric oxide molecule is being studied in order to understand the energetics and chemistry of initiation and detonation in liquid NO at the molecular level. An overview is presented of the work being done. (DLC)
PurposeTo analyze the expression of apoptosis and cell proliferation molecules in pterygium tissues of Chinese patients.MethodsThirty-three pterygia...Full Text Available
Diffusion in the extracellular space (ECS) of the brain is constrained by the volume fraction and the tortuosity and a modified diffusion equation represents the transport behavior of many molecules...Full Text Available
Calculations relating to two experiments that demonstrate coherent control of preformed rubidium-85 molecules in a magneto-optical trap using ultrafast laser pulses are presented. In the first experiment, it is shown that pre-associated molecules in an incoherent mixture of states can be made to oscillate coherently using a single ultrafast pulse. A novel mechanism that can transfer molecular population to more deeply bound vibrational levels is used in the second. Optimal parameters of the control pulse are presented for the application of the mechanism to molecules in a magneto-optical trap. The calculations make use of an experimental determination of the initial state of molecules photoassociated by the trapping lasers in the magneto-optical trap and use shaped pulses consistent with a standard ultrafast laser system.
This paper describes attempts to isolate and characterize glycosaminoglycan (GAG)-binding molecules on the surface of lymphocytes and lymphoma cell lines and relate their expression to splenic and lymph...Full Text Available
Summary of recent advancesA family of small molecules called ascarosides act as pheromones to control multiple behaviors in the nematode Caenorhabditis elegans....Full Text Available
Carboxylesterases (CE) are ubiquitous enzymes that hydrolyze numerous ester-containing xenobiotics, including complex molecules, such as the anticancer drugs irinotecan (CPT-11) and capecitabine...Full Text Available
Hydrogen molecule adsorption on the (0001) surface of double hexagonal closed packed americium has been studied in detail within the framework of density functional theory. Weak molecular hydrogen adsorptions were observed. The most stable configuration corresponded to a Hor2 approach molecular adsorption at the one-fold top site where the molecule's approach is perpendicular to a lattice vector. Adsorption energies and adsorption geometries for different adsorption sites will be discussed. The change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the hydrogen molecule will be discussed. Reaction barrier for the dissociation of hydrogen molecule will be presented. The implications of adsorption on Am 5f electron localization-delocalization will be summarized.
Calculating work-function modifications for flat-lying conjugated molecules on extended metal surfaces using density functional theory (DFT) is an extremely resource intensive task. This prevents fast screening of new molecules for their potential to optimize metal work functions for good electron or hole injection in organic electronic devices. We present a semi-classical model, which avoids that problem. This is achieved by identifying the dominant processes occurring at the interface between metal and adsorbate in the pinning-regime, which are then parameterizing their description using band-structure DFT calculations for a small training set With the resulting interdependent equations at hand, only simple gas-phase calculations are needed to predict the work-function changes induced by new molecules. The model is tested for ten molecules on three different metal surfaces, where it shows excellent ...
Since information has been regarded os a physical entity, the field of quantum information theory has blossomed. This brings novel applications, such as quantum computation. This field has attracted the attention of numerous researchers with backgrounds ranging from computer science, mathematics and engineering, to the physical sciences. Thus, we now have an interdisciplinary field where great efforts are being made in order to build devices that should allow for the processing of information at a quantum level, and also in the understanding of the complex structure of some physical processes at a more basic level. This thesis is devoted to the theoretical study of structures at the nanometer-scale, 'nanostructures', through physical processes that mainly involve the solid-state and quantum optics, in order to propose reliable schemes for the processing of quantum information. Initially, the main results of quantum information ...
The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.
The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.
Scheme of theoretical method of molecular configuration definition for small organic molecules in solution has been presented. The method bases on measurements of nuclear Overhauser effects for proton-proton interactions and molecular mechanics calculations. 3 refs, 1 fig.
Monoclonal antibodies (mAb) to ovine T-lymphocyte molecules SBU-T8 (Maddox, Mackay & Brandon, 1985), the cytotoxic T lymphocyte, human CD8 equivalent, and SBU-T6 (Mackay et al., 1985), the immature...Full Text Available
The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.
The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.
The method of double microwave--radio-frequency resonance has been used to obtain spectra of the 2/sub 11/reverse arrow2/sub 12/ and 3/sub 21/reverse arrow3/sub 22/ transitions in HCOOD, DCOOH, and HCOOH molecules. The constants of the quadrupole bond of the deuterons have been determined, magnetic interactions being taken into acocunt. A comparison with results of previous studies is given.
The tumor suppressor p53 is often inactivated in breast cancer cells because the overexpression of its repressors (e.g., MDM2 and MDMX). Restoration of p53 activity by small molecules through counteracting...Full Text Available
The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructural norbornane molecules. The procedure involves simultaneous variation of geometric parameters and refinement of the parameters that ...
Acetohydroxyacid synthase (AHAS; EC 2.2.1.6) is the first enzyme in the biosynthetic pathway of the branched-chain amino acids. It catalyzes the conversion of two molecules of pyruvate into 2-acetolactate or one molecule of pyruvate and one molecule of 2-ketobutyrate into 2-aceto-2-hydroxybutyrate. AHAS requires the cofactors thiamine diphosphate (ThDP), Mg{sup 2+} and FAD for activity. The herbicides that target this enzyme are effective in protecting a broad range of crops from weed species. However, resistance in the field is now a serious problem worldwide. To address this, two new sulfonylureas, monosulfuron and monosulfuron ester, have been developed as commercial herbicides in China. These molecules differ from the traditional sulfonylureas in that the heterocyclic ring attached to the nitrogen atom of the sulfonylurea bridge is monosubstituted rather than disubstituted. The structures of these ...
The results of experimental measurements and theoretical simulations of circular dichroism in the angular distribution (CDAD) of photoemission from atomic core levels of each of the enantiomers of a chiral molecule, alanine, adsorbed on Cu(1 1 0) are presented. Measurements in, and out of, substrate mirror planes allow one to distinguish the CDAD due to the chirality of the sample from that due to a chiral experimental geometry. For these studies of oriented chiral molecules, the CDAD is seen not only in photoemission from the molecular chiral centre, but also from other atoms which have chiral geometries as a result of the adsorption. The magnitude of the CDAD due to the sample chirality differs for different adsorption phases of alanine, and for different emission angles and energies, but is generally small compared with CDAD out of the substrate mirror planes which is largely unrelated to the molecular chirality. While similar measurements ...
The Project ``Middle School Integrated Science, Mathematics and Technology Curriculum`` had two goals: (1) to survey the literature of energy education; and (2) to develop a theme for a possible integrated middle school energy based curriculum. We aimed to respond to the challenge of developing thematic integrated curricula as advocated by the NSTA, AAAS and other organizations analyzing the future of American science and mathematics education. The survey of middle school energy curriculum materials has been completed. A list of the resources surveyed are included in this report. Though many energy based curriculum materials have been produced, none of them appears to be broadly disseminated throughout the country. Some energy based curriculum materials are far less well developed than others. We found that an integrated set of modular materials concerning the energy based theme of light and optics does not now exist. If they were developed, ...
The introduction prior to series of papers on the application of neutrons for materials science (MS) in this issue starts with a brief summary of neutron scattering research history in Japan; from the individual activity by Motoharu Kimura at RIKEN early around 1940s to those at present era of world leading neutron science facilities of both JRR3 research reactor and JPARC of the largest proton Accelerator complex in Tokai. Then physical properties of low energy neutrons applied to MS as well as such neutron sources are also reviewed (http://www.jstage.jst.go.jp/browse/jvsj2). (author)
Mar 1, 2011... Science Research; Atmospheric Correction Prototype Algorithm for High ... spaceborne (Hyperion) and airborne (AVIRIS) hyperspectral data. ...
29 matches ... 09.20.1999. FOX SPORTS TELEVISION CREW TAPING SEGEMENT IN VISITOR CENTER + More Details. 10.23.2010. USA Science and Engineering Festival ...
Microscopy and chemotaxonomy from HPLC analysis of phytoplankton pigments initiated in 2003 suggest that Noctiluca miliaris blooms are becoming more intense ...
Purpose: Assess the feasibility of using NASA satellite data to monitor persistent saltwater intrusion in coastal marshes. End User: USGS National Wetlands ...
2.1.1 Stochastic decision and control approaches .... 14. 2.1.2 Queueing theory ...... Infoton Vistar/2 terminal keyboard) is used by the pilot for ...
... second way in which social science dif- fers from the ... it would have been better to leave it intact ... to deploy, returning with worn vessels and sick crews ...
ObjectivesThis programme aims; To rethink how waste is thought about in social science; To provide a global analysis of waste; To examine how rethinking waste impinges on core social science concerns, notably: economies, researching globalisation, hazards and risk, and materiality. Social science understandings of waste position waste as the end-point of production and consumption, and see waste as a question of disposal.DescriptionThe Waste of the World is a five year research programme funded under ESRC's Large Grant Scheme. It brings together researchers in geography, anthropology and materials science from the University of Sheffield, Durham University, University College London and Goldsmiths College London, and connects the UK with South Asia (particularly India and Bangladesh), as well as the US, Europe and Kazakhstan. The over-arching aims of the programme are: To rethink how waste is thought ...
as one of the first Materials Research Laboratories to be funded by the forerunner of DARPA. In 1972 funding was taken over by the National Science Foundation's Division of...
(AIM PAPER 81-1628). Three different examples will be given to illustrate how a ...... Power System (PS), and a Science Applications and Space Platform ...
The unified web presence for the NASA Astrobiology Program which includes the NASA Astrobiology Institute (NAI), Astrobiology Science and Technology for ...
Canada will provide telescope baffles and fine error sensor assemblies. ..... ( Ongoing) Flight tests aboard sounding rockets and balloon planned for FY 1995. .... the effects of incoming energetic particles and solar radiation on the ...
A growing body of evidence in cognitive science and neuroscience points towards the existence of a deep interconnection between cognition, perception and action. According to this embodied perspective...Full Text Available
This is a thought piece on data-intensive science requirements for databases and science centers. It argues that peta-scale datasets will be housed by science centers that provide substantial storage and processing for scientists who access the data via smart notebooks. Next-generation science instruments and simulations will generate these peta-scale datasets. The need to publish and share data and the need for generic analysis and visualization tools will finally create a convergence on common metadata standards. Database systems will be judged by their support of these metadata standards and by their ability to manage and access peta-scale datasets. The procedural stream-of-bytes-file-centric approach to data analysis is both too cumbersome and too serial for such large datasets. Non-procedural query and analysis of schematized self-describing data is both easier to use and allows much more ...
will soon recreate by slamming lead nuclei into one another. S@BL image Irrelevant Regulators Pinpointing the interactions of genes with their assumed regulators grows ever more...
This paper first discusses the challenge offered by natural and anthropogenic systems in all of their complexity and then indicates some areas of research in which specific scientific and technological needs are identifiable.
{sup N}ow this 'Big Bang' idea seemed to me to be unsatisfactory...for it is an irrational process that cannot be described in scientific terms.' With this rather derisory remark (or at least so intended) in a 1950 radio broadcast, Fred Hoyle named the theory that rivalled his steady-state theory. The Big Bang has subsequently become the dominant paradigm in attempts to understand our universe. It is also one of the dominant ways in which popular-science writing seeks to persuade people to part with their cash. Simon Singh has rapidly made a name for himself as one of the leading popularizers of science, with his previous books Fermat's Last Theorem and The Code Book bringing accessible science to a wide audience . Big Bang brings him to a much busier marketplace, where he must compete both with other science writers and with working scientists. (U.K.)
Jul 21, 1998 ... Additional roof surface temperatures were taken with a handheld "heat spy," an infrared thermometer to help calibrate the ATLAS thermal ...
Comparisons have been made between Buddhism and the philosophy of science in general, but there have been only a few attempts to draw comparisons directly with the philosophy of radical behaviorism....Full Text Available
After West Point and following a tour with the 82nd Airborne Division, McArthur entered the U.S. Army Aviation School in 1975 and was designated an Army ...
the revealed stage of T Tauri star evolution, is only a mere shadow of its former self. Once primary accretion starts, one has the (poorly quantified) ...
"Physics in America is at a crossroads and in crisis, just as humanity stands on the verge of great discoveries about the nature of matter and the universe, a panel from the National Academy of sciences concludes in a new report."
... interacting systems in which common-envelope evolutionary effects make it hard to generalize the results to single-star evolution, although they ...
...policy issues global warming global climate change ? there's a famous hockey ...global warming the greatest hopes for betray them and kind of forgotten ...
NSF-NIST Interaction in Chemistry, Materials Research, Molecular Biosciences, Bioengineering, and ... Laboratory (CSTL). Materials research is centralized in the Materials Science and Engineering ...
of Earth Science data and information management capabilities. Dale Schulz/400 . For your exceptional achievement in leading the joint LaRC/GSFC team in ...
We here at Blueshift do our best to cover all things astrophysics, which we rather loosely define as 'anything and everything outside the Solar System. ...
...the School, the research group structure was recently revised and now comprises the following teams: Drug Design and Analysis Pharmaceutics Pharmacy Practice and Policy Pharmacological and Biomedical Science The current structure was designed to take into account the future development of research in the academic area. The ...Discovery, Molecular Modelling, Pharmacology and Molecular Biology) and international recognition (Biological Sciences), which have now been re-organised into the Drug Design and Analysis and Pharmacological and Biomedical Sciences teams. The reorganisation also aimed to improve the research reputation of the other teams. The improvements in ... Email to a friend Print Within this area Drug design and analysis Pharmaceutics Pharmacy practice and policy Pharmacological and biomedical sciences Projects Publications Staff Considering a course? Research Degrees Course Finder Order a ...
The author indicates the research which will be done as part of Programme Sibir, a large-scale programme for the development of the eastern USSR. The research includes the liquefaction of brown coal, and new methods of prospecting.
May 16, 1995 ... She received an honorary doctorate of science from Northern Arizona University in 1990. With her husband, she received the Rittenhouse Medal ...
... centers in materials research. MRSECs address fundamental materials research topics of intellectual ... in materials research. II. PROGRAM DESCRIPTION MRSECs are supported by NSF to undertake materials ...
... Society Physics Press Release 05-175Korea Joins International Computing Infrastructure ... connectivity with Korea in a ceremony last month. Facilitated by the Korea Institute for Science and ...
Jul 25, 2011 ... Koji Mukai's Bibliography. Invited Reviews. Mukai, K. 1994, "ASCA PV Phase Observations of Cataclysmic Variables," in "New Horizon of X-ray ...
... and (3) the exchange of information; materials or perspectives. In 1977, a conference of ... their peers), to products (e.g., curriculum materials, guidebooks, or videos). We will also take ...
... should give full con- As for the effects of the Three Gorges on the mouth of sideration to the rising water process and water temper- the river, the ...
The Global Warming International Center (GWIC) is the international body disseminating information on global warming science and policy, serving both governamental, non-governamental ... ...
Space Network Ku-band service. ... Completed GLAST mission schedule and budget assessment .... Utilize Ku band SN link (TDRSS) for science data return ...
Publications Science Highlights Researcher Profiles Internship Funding to push battery technology from Argonne Laboratory to marketplace Bookmark and Share (Download...
... Science, Computer Vision, Digital Government, Digital Libraries, Digital Society and Technologies ... for Robust Intelligence, Digital Government, and Digital Libraries and Archives. In subsequent years ...
The rapidly emerging science of epigenetics and epigenomic medicine promises to reveal novel insights into the susceptibility to and the onset and progression of epileptic disorders. Epigenetic...Full Text Available
Report) A Screening Assessment of the Potential Impacts of Climate Change on Combined Sewer Overflow (CSO) Mitigation in the Great Lakes and New England Regions (Final Report)...
and audio technology. The exhibition will travel to muse- ums and science centers in several U.S. cities over the next 5 years. Back in the classroom, ...
Briefly, 48 MOS microparticle sensors (essentially the same as those flown on .... at the Naval Research Lab to interpret the polarization of the incoming radio .... Adapter Satellite, to be published in Journal of Spacecraft and Rockets, 1994. ...
... education. It has fostered development of materials and techniques with the success of all, rather ... with Foundation staff to produce exemplary materials and models to help the nation attain its ...
tions, final noise-power spectral density measurements were made. These measurements of the noise-power spectral density were not the desired phase- noise ...
switch when this cavity matching condition is determined. This results is a ... MHz offset is provided by an acousto-optic modulator. (AOM). The AOM will be shut ...
In this note, we have shown special case on Routh stability criterion, which is not discussed, in previous literature. This idea can be useful in computer science applications.
... 4? Program History 5? Center for Advanced Materials and Smart Structures 6? Center for Systems ... Systems 14? Center for Photonic Materials Research 15? Synthesis, Manufacturing and Characterization ...
evaluation, novelty detection, resource discovery, interfaces and visualization, digital libraries, computational social science, and cross-lingual information retrieval. The CIIR...
... Schioler (703) 306-1836 lschiole@nsf.gov This material is available primarily for archival purposes ... of superconducting materials. Colossal magnetoresistance materials are those in which the electrical ...
... Development for Envir Activities Materials Use: Sci, Eng, & Society Synopsis of Program: This ... for Environmental Activities (IDEA); Materials Use: Science, Engineering, & Society (MUSES). In all ...
green (both light and dark tones) and purple, bare areas are seen in ...... spatial scale continue to plague such efforts. Knowledge of the spatial ...
site for reference information. Other recipients include Google's Translator, WikiLeaks, The ICUN Red List of Threatened Species, and the Public Library of Science (PLOS)....
It is one of the central aims of the philosophy of science to elucidate the meanings of scientific terms and also to think critically about their application. The focus of this essay is the scientific...Full Text Available
The NASA Langley Distributed Active Archive Center archives and distributes data relating to Radiation Budget, Clouds, Aerosols, and Troposheric Chemistry.
Science plays paradoxical roles in environmental planning. As a process for generating and adapting knowledge of the biophysical environment to human use, it is essential to achieving sustainability. As the socially contested evaluation of competing claims to truth, however, adversarial science often becomes the focus of conflict in the planning process. British Columbia's Central Coast Land and Resource Management Plan (CCLRMP) planning process took place amid industrial restructuring, market campaigns, and scientific disputes over the conservation of the world's largest remaining temperate rainforest. This article shows how adversarial science set the terms of the policy debate, as well as the means for compromise. A multisector interdisciplinary information team played a key role in arr...
1. Contest rules The European Space Agency (ESA) is launching a public competition to find the most suitable names for its four Cluster II space weather satellites. The quartet, which are currently known as flight models 5, 6, 7 and 8, are scheduled for launch from Baikonur Space Centre in Kazakhstan in June and July 2000. Professor Roger Bonnet, ESA Director of Science Programme, announced the competition for the first time to the European Delegations on the occasion of the Science Programme Committee (SPC) meeting held in Paris on 21-22 February 2000. The competition is open to people of all the ESA member states (*). Each entry should include a set of FOUR names (places, people, or things from history, mythology, or fiction, but NOT living persons). Contestants should also describe in a few sentences why their chosen names would be appropriate for the four Cluster II satellites. The winners will be those which are considered most suitable ...
The future use of single-molecule magnets in applications will require the ability to control and manipulate the spin state and magnetization of the magnets by external means. There are different approaches to this control, one being the modification of the magnets by adsorption of small ligand molecules. In this paper we use iron phthalocyanine supported by an Au(111) surface as a model compound and demonstrate, using x-ray photoelectron spectroscopy and density functional theory, that the spin state of the molecule can be tuned to different values (S #approx# 0, 1/2, 1) by adsorption of ammonia, pyridine, carbon monoxide or nitric oxide on the iron ion. The interaction also leads to electronic decoupling of the iron phthalocyanine from the Au(111) support. (fast track communication)
A time-of-flight mass spectrometer has been constructed to measure the energy spectra of particles scattered by 10/sup 0/ with primary energies between 200 eV and 15 keV. The energy resolution ..delta..E/E of the system is between 0.1 and 0.4%. Energy spectra of scattered molecules and their dissociation products are shown for 570 eV H/sub 2//sup +/ and 4430 eV N/sub 2//sup +/ as projectiles. Electron capture into unbound states of the neutral molecule, with perhaps some contribution from mutual scattering within the molecule, appears to explain the observed dissociation product energy spectra peak widths.
A time-of-flight mass spectrometer has been constructed to measure the energy spectra of particles scattered by 10"0 with primary energies between 200 eV and 15 keV. The energy resolution #DELTA#E/E of the system is between 0.1 and 0.4%. Energy spectra of scattered molecules and their dissociation products are shown for 570 eV H_2"+ and 4430 eV N_2"+ as projectiles. Electron capture into unbound states of the neutral molecule, with perhaps some contribution from mutual scattering within the molecule, appears to explain the observed dissociation product energy spectra peak widths. (orig.).
The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructura...
We have studied freshly prepared lysozyme solutions in heavy water for two NaCl concentrations as a function of temperature. Lysozyme solubilities in this solvent are determined by static light scattering. By small angle neutron scattering, we evidence that interactions between lysozyme molecules are characterized by a second virial coefficient A{sub 2} whether the solution is under-saturated or supersaturated. From the variation of A{sub 2} as a function of temperature we have evaluated the enthalpy corresponding to the interaction between lysozyme molecules. We show that the interactions between protein molecules are higher in heavy water than in light water. (authors). 13 refs., 3 figs.
The small-angle X-ray scattering technique was used to determine the intermolecular structure and interaction potentials in oxi-and deoxi-hemoglobin solutions. The pair correlation function obtained by the ZERNICKE-PRINS equation characterizes the intermolecular structure of the hemoglobin molecules. The intermolecular structure is concentration dependent. The hemoglobin molecules have a 'short range order structure' with a range of about 4 molecule diameters at 324 g/l. The potential functions of the hemoglobin-hemoglobin interaction have been determined on the basis of fluid theories. Except for the deoxi-hemoglobin solution having the concentration 370 g/l, the pair interaction consists in a short repulsion and a weak short-range attraction against kT. The potential minimum is between 1.2 - 1.5 nm above the greatest hemoglobin diameter. (author).
(TSM-TTP)(I3)5/3 is a 1/6 -filled one-dimensional system composed of an extended donor molecule which has two tetrathiafulvalene (TTF) units in a molecule, where TSM-TTP is 2,5-bis[4,5-bis(methylseleno)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalene. Nonlinear conductivity is observed in the insulating state below 20K , and the metallic state is restored above a very small threshold electric field of 0.3V/cm at 4.2K . The extremely sensitive nonlinearity is ascribed to the inhomogeneous insulating state generated by the weak and disordered anion potentials on the otherwise highly conducting intramolecular charge order state in the double-TTF molecule.
The cephalosporin class antibacterial agent, cefazolin, was intercalated into layered double hydroxides (LDHs) in order to improve the drug efficiency as well as to achieve the controlled release property. Cefazolin molecules were incorporated into LDH through conventional ion exchange reaction. X-ray diffraction pattern analyses confirmed that cefazolin molecules were intercalated between the interlayer spaces of LDH. Fourier-transform infrared spectra and high performance liquid chromatographs clearly showed that the drug molecules were stabilized in LDH lattice through electrostatic interaction and released without any changes in their chemical integrity. Antibacterial activity of the cefazolin-LDH nanohybrid was also examined by an in vitro test, such as the minimal inhibitory concentr...
Pulse radiolysis studies of the formation kinetics and the yields of various phenylcarbenium ions from several different solutes in 1,2-dichloroethane solution have been carried out. The results indicate that there are two kinetically distinguishable cationic species of the solvent which react selectively with the different solutes to form the phenylcarbenium ions. It is suggested that one is a cation radical (yield 0.68 molecule/100 eV) and the other a carbocation (yield 0.20 molecule/100 eV). Rate constants for their separate reactions with selected aromatic compounds and with ammonia have been determined. Molar extinction coefficients have been estimated for benzyl cation, diphenyl cation radical, and anthracene cation radical. 6 figures, 1 table.
Pulse radiolysis studies of the formation kinetics and the yields of various phenylcarbenium ions from several different solutes in 1,2-dichloroethane solution have been carried out. The results indicate that there are two kinetically distinguishable cationic species of the solvent which react selectively with the different solutes to form the phenylcarbenium ions. It is suggested that one is a cation radical (yield 0.68 molecule/100 eV) and the other a carbocation (yield 0.20 molecule/100 eV). Rate constants for their separate reactions with selected aromatic compounds and with ammonia have been determined. Molar extinction coefficients have been estimated for benzyl cation, diphenyl cation radical, and anthracene cation radical. 6 figures, 1 table.
We investigate quantum mechanical electron transport along the long axis of the DNA molecule using an effective tight-binding model. The overall contour plot of transmission, the current-voltage characteristics, and the differential conductance are examined for the variation of backbone onsite energy, the energy-dependent hopping strength, and the contact coupling between the leads and the DNA molecule. It is shown that as backbone asymmetry increases, the merging and collapse of the two mini-bands take place and an extra resonance peak in the transmission appears. In addition, we present the modulation of voltage threshold in the current-voltage curves and a double-peak structure in the differential conductance due to the disappearance of the merged mini-band. Finally, in the Coulomb bloc...
The magnetic hyperfine constants of the V sub(K) center in CaF_2, SrF_2 and BaF_2 have been calculated, assuming a phenomenological model, based on the F"-_2 'central molecule', to describe the wave function of the defect. The introduction of covalence with the ions neighboring the 'central molecule', has shown that this is a better description for the defect than a simple 'central molecule' model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested. (author).
A classical model is presented for magnetic field-induced Wigner crystallization in electron systems confined within two-dimensional quantum dots. In contrast to other classical models, this one does not treat an electron as a point charge; the electron density is assumed to take a Gaussian form corresponding to the lowest Landau level. Using a Monte Carlo method we have determined the equilibrium configurations as functions of the magnetic field. We have found a classical counterpart of the quantum maximum density droplet (MDD) and studied the breakdown of the MDD into a Wigner molecule as well as the transformations of the Wigner molecule shape induced by the external magnetic field. The phase diagram for the classical Wigner molecules has been presented and its qualitative agreement with previous quantum mechanical calculations has been shown.
The paper examines science fiction literature as a product and part of the social consciousness of the modern capitalist world order. This world order is seen as emphasizing science, technology, movement, growth, urbanization, industrialization, complex organization, and progress. The document is organized into two sections. The first section reviews theories of the sociology of knowledge and discusses knowledge as a process of self-production and reproduction of society. Influential theorists include Hegel, Marx, Lukacs, Mannheim, Gramsci, Habermas, and Touraine. Touraine's (1977) dynamic conflict-based systematic theory of society is based on three concepts: historicity, which defines the instruments of society's self-production; the system of historical action which is the totality of social and cultural orientations, by means of which historicity exercises its control of historicity and the system of historical action. The second section ...
Executive summaryForewordPublic awareness of solid-state chemistry, or more broadly solid-state science and technology rapidly grew along with the transistor revolution and the development of the integrated circuit. We are now at the half-way point in the solid state century [Scientific American The Solid-State Century 1997;8(1) [special issue
...Pharmaceutics | Special Issue: Solid Dosage Forms LoginRegister mdpi.com Journals A-Z For Authors About Open Access Policy Title / Keyword Journal all Administrative Sciences Agriculture ...Establishing Differences from Adults Recent Developments and Future Perspectives in Dissolution Testing Solid Dosage Forms The 1st Electronic Conference on Pharmaceutical Science The Progress on Pharmaceutics ... 1 (2009) Special Issue \\
...Resort and Convention Center, National Harbor, Maryland, USA September 18-20, 2011 XX HELSINKI DRUG RESEARCH CONGRESS Helsinki, Finland October 23-27, 2011 2011 AAPS Annual Meeting and Exposition Washington Convention Center Washington, DC June 26-29 2012 10th International Symposium on Pharmaceutical Sciences Ankara, Turkey Printer-friendly version Home | Elsevier ...
A core competency is a distinguishing integration of capabilities which enables an organization to deliver mission results. Core competencies represent the collective learning of an organization and provide the capacity to perform present and future missions. Core competencies are distinguishing characteristics which offer comparative advantage and are difficult to reproduce. They exhibit customer focus, mission relevance, and vertical integration from research through applications. They are demonstrable by metrics such as level of investment, uniqueness of facilities and expertise, and national impact. The Oak Ridge National Laboratory (ORNL) has identified four core competencies which satisfy the above criteria. Each core competency represents an annual investment of at least $100M and is characterized by an integration of Laboratory technical foundations in physical, chemical, and materials sciences; biological, environmental, and social ...
The Nova Scotia Research Foundation Corporation was established in 1946 by the Province of Nova Scotia to use science and technology to assist in the economic development of Nova Scotia. Within the Applied Science Division of the Corporation, research and development programs in the area of coal and mineral technology have been undertaken. A brief description of two projects -- coal liquefaction and coal-water fuels, are reported.
This report is a brief review of biological and medical applications of ion-track membranes. The review aims at informing nuclear physicists about alternative (i.e. non-fundamental-science) use of heavy ion accelerators such as production of micro- and nano-porous materials. The ion-track membranes produced this way are employed in life sciences and numerous technological applications. The author focuses on recent results from the Flerov laboratory in co-operation with other scientific institutions and industrial partners.
Biomedical science researchers often express frustration that health physics practices vary widely between individual institutions. A survey examining both internal and external dose assessment practices was devised and mailed to fifty institutions supporting biomedical science research. The results indicate that health physics dose assessment practices and policies are highly variable. Factors which may contribute to the degree of variation are discussed. 2 tabs.
...ENSO Applications Center (PEAC) Institutional Affiliation: PEAC's core members are The National Oceanic and Atmospheric Administration - Office of Global Programs (NOAA/OGP) The NOAA National Weather Service - Pacific Region (NWS-PR), The University of Hawaii - School of Ocean and Earth Science and Technology UH/SOEST, The University of Guam - Water and Energy Research Institute (UOG/WERI), and a regional association of the USAPI Governments, the Pacific Basin ...
... Studies People Projects Opportunities Framework Critical Sectors Development Goals Geographic Region Geographic Scale Research Themes Printer-Friendly Center for Ocean Solutions Early Career Fellowship Program Location: Stanford, California Source: The Center for Ocean Solutions (“Ocean Solutions”) seeks one or more recent graduates who have received a JD, MBA or PhD in the natural, physical or social sciences in the last five years, and who ...
...Studies People Projects Opportunities Framework Critical Sectors Development Goals Geographic Region Geographic Scale Research Themes Printer-Friendly MSU Environmental Science and Policy Program Michigan State University East Lansing , Michigan Type: Program Education Level: Graduate Event Duration: Ongoing Philosophy of the doctoral specialization: In the ...
Research programs from the following sections and programs are summarized: aquatic ecology, environmental resources, earth sciences, terrestrial ecology, advanced fossil energy program, toxic substances program, environmental impacts program, biomass, low-level waste research and development program, US DOE low-level waste management program, and waste isolation program.
... Author: Radev, Dragomir R. Subjects: natural language processing DeweyClass: 764 Resource type: document Natural Language Processing Research Group Research Group based in the Department of Computer Science, University of Sheffield. Conducts research into natural language analysis topics including data mining/information extraction, dialogue, and semantics. Author: Department of Computer Science, University of Sheffield Subjects: natural language processing DeweyClass: 764 Resource ...
April 2008 - British Minister for Science and Innovation I Pearson MP, visiting the ATLAS surface building and underground area with Spokesperson P. Jenni and Adviser J. Ellis.
... Hale, Markku Kulmala, 373.43 EUR; 225.00 USD; 276.00 GBP... Aerosol Chemical Processes in the Environment Spurny, Kvetoslav R., $164,95, 䀈... More Journals » MAGAZINES & JOURNALS Water Science & Technology: Water Supply Water Science and Technology: Water Supply is p... ...
The Plasma Science Committee (PLSC) of the National Research Council (NRC) is charged with monitoring the health of the field of plasma science in the United States and identifies and examines both broad and specific issues affecting the field. Regular meetings, teleconferences, briefings from agencies and the scientific community, the formation of study panels to prepare reports, and special symposia are among the mechanisms used by the PLSC to meet its charge. During July 1992, the PLSC sponsored a workshop on nonneutral plasmas in traps. Although no written report on the workshop results, was prepared for public distribution, a summary of highlights was provided to the OPST Subpanel on Nonneutral Plasmas. The PLSC also continued its follow-up briefings and discussions on the results of the results of the report Plasma Processing of materials. Scientific and Technological Opportunities. As a result of these activities, the Committee is now ...
The Plasma Science Committee (PLSC) of the National Research Council (NRC) is charged with monitoring the health of the field of plasma science in the United States and identifies and examines both broad and specific issues affecting the field. Regular meetings, teleconferences, briefings from agencies and the scientific community, the formation of study panels to prepare reports, and special symposia are among the mechanisms used by the PLSC to meet its charge. During July 1992, the PLSC sponsored a workshop on nonneutral plasmas in traps. Although no written report on the workshop results, was prepared for public distribution, a summary of highlights was provided to the OPST Subpanel on Nonneutral Plasmas. The PLSC also continued its follow-up briefings and discussions on the results of the results of the report Plasma Processing of materials. Scientific and Technological Opportunities. As a result of these activities, the Committee is now ...
Spin-lattice relaxation rates of protein and water protons in dry and hydrated immobilized bovine serum albumin were measured in the range of 1H Larmor frequency from 10 kHz to 30...Full Text Available
BackgroundGreen tea consumption has been shown to have cancer preventive qualities. Among the constituents of green tea, (-)-Epigallocatechin-3-O-gallate (EGCG)...Full Text Available
We describe a novel 13C enriched precursor molecule, sodium 1-13C acetylenedicarboxylate, which after hydrogenation by PASADE-NA (Parahydrogen and Synthesis Allows Dramatically...Full Text Available
Reactive oxygen species (ROS), inevitable byproducts of aerobic metabolism, are known to cause oxidative damage to cells and molecules. This, in turn, is widely accepted as a pivotal determinant of...Full Text Available
The effect of Escherichia coli lipopolysaccharide (LPS) on the expression of major histocompatibility complex (MHC) class II molecules by bovine mammary macrophages was examined. The ability of LPS-treated...Full Text Available
The LW blood group antigens reside on a 42-kDa erythrocyte membrane glycoprotein that was purified by immunoaffinity and partially sequenced. From this information, a specific PCR-amplified DNA fragment...Full Text Available
In the absence of a vaccine, there is an urgent need for the development of safe and effective topical microbicides to prevent the sexual transmission of human immunodeficiency virus type 1 (HIV-1)....Full Text Available
Interactions between presynaptic and postsynaptic cellular adhesion molecules (CAMs) drive synapse maturation during development. These trans-synaptic interactions are regulated by alternative splicing...Full Text Available
Potassium atoms in selected high-lying np Rydberg states (80 #<=# n #<=# 400) are being used as a tool to examine electron-polar molecule collisions at ultra-low energies (#approx#80 #mu#eV - 1 meV). This energy regime has not been investigated previously and is of interest because the corresponding electron de Broglie wavelength is large, #approx#1300 - 330 Angstrom, and because the collision time is comparable to the period of molecular rotation. A variety of target molecules has been studied, including simple rotors such as HF, and more complex species such as NH_3, CH_3I, CH_2Br_2 and C_6H_5NO_2. These targets encompass a range of dipole moments and rotational behavior, but analysis of the data shows that in each case the cross section #sigma#(#epsilon#) for rotationally-inelastic electron-polar molecule scattering varies approximately as 1/#epsilon# where #epsilon# is the electron energy. Such threshold behavior ...
SUMMARYThe cytolytic activity of natural killer (NK) cells is regulated by inhibitory receptors that detect the absence of self molecules on target cells. Structural studies of...Full Text Available
The second messenger signaling molecule bis-(3′-5′)-cyclic dimeric guanosine monophosphate (c-di-GMP) regulates many processes in bacteria, including motility, pathogenesis,...Full Text Available
On rod disc membranes, single photoactivated rhodopsin (R*) molecules catalytically activate many copies of the G-protein (Gt), which in turn binds and activates the effector (phosphodiesterase). We...Full Text Available
Beta silicon carbide is an excellent candidate semiconductor material for demanding applications in high power and high temperature electronic devices due to its high breakdown voltage, relatively large band gap, high thermal conductivity and high melting...
The neonatal Fc receptor FcRn provides IgG molecules with their characteristically long half-lives in vivo by protecting them from intracellular catabolism and then returning them to...Full Text Available
Systemic chemotherapy has been relatively ineffective in the treatment of malignant brain tumors even though systemic chemotherapy drugs are small molecules that can readily extravasate across the porous...Full Text Available
Nucleic acids are molecules of choice for both established and emerging nanoscale technologies. These technologies benefit from large functional densities of ‘DNA processing elements’...Full Text Available
We have measured the forward and reverse rates of the allosteric transition of hemoglobin A with three CO molecules bound by using modulated excitation coupled with fluorescence quenching of the DPG...Full Text Available
Phenazines are redox-active small molecules that play significant roles in the interactions between pseudomonads and diverse eukaryotes, including fungi. When Pseudomonas aeruginosa...Full Text Available
The objective of this study was to determine if inflammatory tolerance and enhancement of innate immune function could be induced by the gram-positive cell wall component peptidoglycan (PGN)....Full Text Available
The analysis of individual molecules is evolving into an important tool for biological research, and presents conceptually new ways of approaching experimental design strategies. However, more...Full Text Available
BackgroundGene promoters can be in various epigenetic states and undergo interactions with many molecules in a highly transient, probabilistic and combinatorial way, resulting in...Full Text Available
Borrelia burgdorferi produces potent cell-activating molecules capable of stimulating polyclonal proliferation and immunoglobulin production by murine B lymphocytes and cytokine production by a variety...Full Text Available
The bulk alignment of actin filament sliding movement, powered by randomly oriented myosin molecules, has been observed and studied using an in vitro motility assay. The well established,...Full Text Available
Various hypotheses have been proposed to explain the molecule processes of sarcomere assembly, partially due to the lack of systematic genetic studies of sarcomeric genes in an in vivo...Full Text Available
Microglia provide immune surveillance for the brain through both the removal of cellular debris and protection against infection by microorganisms and “foreign” molecules. Upon...Full Text Available
The X-ray crystallographic structural determinations of synthetic estrogens and antiestrogens provide reliable information on the global minimum energy conformation of these molecules or a local minimum...Full Text Available
E-cadherin is the primary cell adhesion molecule within the epithelium, and loss of this protein is associated with a more aggressive tumour phenotype and poorer patient prognosis in many cancers. Loss...Full Text Available
To assemble into functional structures, biopolymers search for global minima through their folding potential energy surfaces to find the native conformation. However, this process can be hindered by...Full Text Available
Exosomes are small membrane vesicles secreted from various types of cells. Tumor-derived exosomes contain MHC class I molecules and tumor-specific antigens, receiving attention as a potential cancer...Full Text Available
The phenomenon of antibiotic resistance has created a need for the development of novel antibiotic classes with non-classical cellular targets. Unfortunately, target-based drug discovery against...Full Text Available
In regions of high bone loading, the mechanoresponsive osteocytes inhibit osteoclastic bone resorption by producing signaling molecules. One possible candidate is matrix extracellular phosphoglycoprotein...Full Text Available
In this paper we study different effects of excited molecules on swarm parameters, electron energy distribution functions and gas discharge modeling. First we discuss a possible experiment in parahydrogen to resolve the discrepancy in hydrogen vibrational excitation cross section data. Negative differential conductivity (NDC) is a kinetic phenomenon which manifests itself in a particular dependence of the drift velocity on E=N and it is affected by superelastic collisions with excited states. A complete kinetic scheme for argon required to model excited state densities in gas discharges is also described. These results are used to explain experiments in capacitively and inductively coupled RF plasmas used for processing. The paper illustrates the application of atomic and molecular collision data, swarm data and the theoretical techniques in modeling of gas discharges with large abundances of excited molecules. It is pointed out that swarm ...
The nicotinic acetylcholine receptor (AChR) controls signal transmission between cells in the nervous system. Abused drugs such as cocaine inhibit this receptor. Transient kinetic investigations indicate...Full Text Available
The human immunodeficiency virus type 1 (HIV-1) packages its genomic RNA as a dimer of homologous RNA molecules that has to be selected among a multitude of cellular and viral RNAs. Interestingly, spliced...Full Text Available
Supercoiled double-stranded DNA molecules (plasmids) were isolated from plants infected with three laboratory strains of western aster yellows mycoplasma-like organism (AY-MLO) by using cesium chloride-ethidium...Full Text Available
To analyse the binding of sugar chains to proteins, viruses and cells, the surface plasmon resonance (SPR) technique is very convenient and effective because it is a real-time, non-destructive detection...Full Text Available
Progress is reported in the following subject areas: (1) chemistry of the arogenate molecule; (2) plant enzymology at the organismal level; (3) isolation of regulatory mutants in tobacco; and (4) stability of the haploid state in Nicotiana sylvestris.
The linearized-augmented-plane-wave (LAPW) method for thin films is generalized by removing the remaining shape approximation to the potential inside the atomic spheres. A new technique for solving Poisson's equation for a general charge density and potential is described and implemented in the film LAPW method. In the resulting full-potential LAPW method (FLAPW), all contributions to the potential are completely taken into account in the Hamiltonian matrix elements. The accuracy of the method: already well known for clean metal surfaces: is demonstrated for the case of a nearly free (noninteracting) O_2 molecule which is a severe test case of the method because of its large anisotropic charge distribution. Detailed comparisons show that the accuracy of the FLAPW results for O_2 exceeds that of existing state-of-the-art local-density linear-combination-of-atomic-orbitals (LCAO)-type calculations, and that taking the full potential LAPW results as a reference, the ...
The binding of amphiphilic molecules to lipid bilayers is followed by 19F NMR using chemical shift and line shape differences between the solution and membrane-tethered states of...Full Text Available
Background: CD1d belongs to a family of antigen presenting molecules that are structurally and distantly related to the classic major histocompatibility complex class I (MHC I)...Full Text Available
Explosives molecules have a number of unique properties. These properties are discussed. They include low vapor pressures, electronegativity, ''stickiness,'' frangibility, and thermal instability. The program for developing an advanced explosives detector is described.
The cyclohexane-1,2-diamine-based bisbinaphthyl macrocycles (S)-/(R)-5 and their cyclic and acyclic analogs are synthesized. The interactions of...Full Text Available
The p21-activated kinases (PAKs), immediate downstream effectors of the small G-proteins of the Rac/cdc42 family, are critical mediators of signaling pathways regulating cellular behaviors and...Full Text Available
Myocarditis, often initiated by viral infection, may progress to autoimmune inflammatory heart disease, dilated cardiomyopathy and heart failure. Although cardiac myosin is a dominant autoantigen...Full Text Available
A high-throughput assay for enzyme activity has been developed that is reaction independent. In this assay, a small-molecule yeast three-hybrid system is used to link enzyme catalysis to transcription...Full Text Available
BackgroundCardiovascular disease (CVD) is a leading cause of mortality in the United States as well as globally. Epidemiological studies show that regular fruit and vegetable consumption...Full Text Available
The malaria parasite Plasmodium falciparum utilizes molecules present on the surface of uninfected red blood cells (RBC) for rosette formation, and a dependency on ABO antigens has...Full Text Available
CSV consists of a very complex of molecules and demonstrates significant cellular activities capable of stimulating immune functions in vivo. The purpose of this study was to analyze the effects of...Full Text Available
Tetherin (BST2/CD317) has been recently recognized as a potent interferon-induced antiviral molecule that inhibits the release of diverse mammalian enveloped virus particles from infected cells. By...Full Text Available
Antisense radiopharmaceuticals could be used to image gene expression in the brain in vivo, should these polar molecules be made transportable through the blood–brain barrier....Full Text Available
BackgroundNormal and pathological processes entail the production of oxidative substances that can damage biological molecules and harm physiological functions. Organisms have evolved...Full Text Available
In the cellular immune response, recognition by CTL-TCRs of viral antigens presented as peptides by HLA class I molecules, triggers destruction of the virally infected cell (Townsend, A.R.M., J. Rothbard,...Full Text Available
Functionalizing of single molecules on surfaces has manifested great potential for bottom-up construction of complex devices on a molecular scale. We discuss the growth mechanism for the initial layers...Full Text Available
Biological membranes are lamellar structures composed of two leaflets capable of supporting different mechanical stresses. Stress differences between leaflets were generated during micromechanical experiments...Full Text Available
The primary method for neuronal communication involves the extracellular release of small molecules that are packaged in secretory vesicles. We have developed a platform to separate, lyse, and...Full Text Available
Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments or the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.
Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments or the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.
Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments and the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.
A new coumarin-based sensor molecule (L1) has been synthesized and this was found to bind calcium and magnesium ions more effectively as compared to other alkali/alkaline earth/lanthanide and certain transition metal ions. A significant enhancement in fluorescence intensity was observed on binding to Ca2+ and Mg2+ ions; while a minor quenching was observed for weakly bound Hg2+, Ni2+, Fe3+, and Co2+ ions. PET process, coupled with the ICT process, is proposed to explain the observed spectral response.
Recent developments in the analysis of Mira atmosphere, the determination of the pulsation mode, the problem of mass loss, and the evolution of the Mira variables are covered. Model atmospheres for Mira variables, including the opacities of the molecules expected in very late M-type atmospheres are discussed. The pulsation constant for Omicron Ceti is evaluated using T(eff) = 2900 + or - 200 K, and it is concluded that Miras are fundamental mode pulsators. The importance of molecular opacity to the driving of mass loss is evaluated, and it is pointed out that the radiation pressure on molecules is not a major factor in driving mass loss from Mira. Mass loss is considered as a factor in the calculations of the periods for Mira variables. 30 refs.
Abstract Ionizing radiation is a ubiquitous feature of the Cosmos, from exogenous cosmic rays (CR) to the intrinsic mineral radioactivity of a habitable world, and its influences on the emergence and persistence of life are wide-ranging and profound. Much attention has already been focused on the deleterious effects of ionizing radiation on organisms and the complex molecules of life, but ionizing radiation also performs many crucial functions in the generation of habitable planetary environments and the origins of life. This review surveys the role of CR and mineral radioactivity in star formation, generation of biogenic elements, and the synthesis of organic molecules and driving of prebiotic chemistry. Another major theme is the multiple layers of shielding of planetary surfaces from th...
We present recent results obtained in the Toulouse's group that deal with proton to base and nucleoside interactions. We stress the weakness of the sugar part in the nucleoside, i.e. the uridine molecule under scrutiny. Since some parts of the fragmentation spectrum correspond to the fragmentation of a 'pure' uracil molecule, i.e. the RNA base, an 'additivity rule' seems to prevail for the nucleoside, something that still has to be confirmed. Moreover, some results that deal with the secondary electronic emission from uracil are also displayed.
The electronic transitions and photodissociation of the bromine molecule were studied in the visible-near UV continuum using dynamic simulation. The molar extinction coefficients in this study were obtained in numerical calculations. The quantum yields of the spin-orbit Br*(2 P 1/2) product at different photon frequencies were determined. Time-dependent density functional theory was used to analyze the highest five occupied and lowest five unoccupied Br2 orbitals. The transition to the 1? u state was found to be most probable in the visible-near UV absorption range.
The total area (s m) of Voronoi-Dirichlet polyhedron faces corresponding to all intermolecular contacts of one molecule in the structure of crystals and the total volume of pyramids (V m) built on such faces and containing the nuclei of atoms participating in intermolecular contacts in their vertices were determined for 19 unsaturated hydrocarbons. The differential molar heat of adsorption of the hydrocarbons on graphitized thermal carbon black was found to be linearly related to the s m or V m integral parameters of their Voronoi-Dirichlet polyhedra. Aromatic hydrocarbons on the one hand and saturated hydrocarbons, olefins, and acetylene on the other are characterized by different dependences because of the special shapes of their molecular Voronoi-Dirichlet polyhedra.
The total area ( s m) of Voronoi-Dirichlet polyhedron faces corresponding to all intermolecular contacts of one molecule in the structure of crystals and the total volume of pyramids ( V m) built on such faces and containing the nuclei of atoms participating in intermolecular contacts in their vertices were determined for 19 unsaturated hydrocarbons. The differential molar heat of adsorption of the hydrocarbons on graphitized thermal carbon black was found to be linearly related to the s m or V m integral parameters of their Voronoi-Dirichlet polyhedra. Aromatic hydrocarbons on the one hand and saturated hydrocarbons, olefins, and acetylene on the other are characterized by different dependences because of the special shapes of their molecular Voronoi-Dirichlet polyhedra.
Resonant scattering of atoms with formation of the Feshbach resonance in the presence of a laser radiation coupling the levels of two bound atoms (a molecule) is considered. The laser field leads to a second resonance in scattering and broadening of resonances, which facilitates the possibility of experimental observation of asymmetry of the total scattering cross-section arising because of interference between resonant and potential scatterings. The effects associated with interference of the two channels of decay of a bound system of two atoms (a molecule) in the laser field are studied. An expression is obtained for the scattering length in collision of two cold atoms in the field of laser radiation.
Lanthanide-ion doped oxide nanoparticles were functionalized for use as fluorescent biological labels. These nanoparticles are synthesized directly in water which facilitates their functionalization, and are very photostable without emission intermittency. Nanoparticles functionalized with guanidinium groups act as artificial toxins and specifically target sodium channels. They are individually detectable in cardiac myocytes, revealing a heterogeneous distribution of sodium channels. Functionalized oxide nanoparticles appear as a novel tool particularly well adapted to long-term single-molecule tracking.
The crystal and molecular structures of the anti-acquired immunodeficiency syndrome agent 3'-azido-3'-deoxythymidine (AZT) have been determined by x-ray diffraction. There are two crystallographically independent AZT molecules in the crystal asymmetric unit; they have similar conformation and differ primarily in the glycosyl torsion angle. Comparisons with a hydrated thymidylate structure indicate that the azido group does not significantly affect the gross conformational preference of the molecule. The comparisons also suggest possible functional roles for the azido group in enzyme binding.
The applicability of auxiliary functions Qqns and Gq-ns in combined Hartree-Fock-Roothaan theory suggested by one of the authors is demonstrated by calculation of electronic structure of some molecules. As an example of application, the calculations have been performed for the ground states of BH, Bh2, BH3, CH, CH2 and CH3 using minimal basis sets of Slater type orbitals. The results of computer calculations for the orbital and total energies, linear combination coefficients of symmetrized and un symmetrized molecular orbitals, and virial ratios are presented.
The interaction between N-donor adsorbates such as ammonia and pyridine with Cu(II)-exchanged montmorillonite, beidellite, flourohectorite into smectite clays has been studied by electron spin resonance. Cu(II) cations exchanged into smectites coordinate five ammonia or pyridine molecules in beidellite, four ammonia of pyridine molecules in hydroxyhectorite. Thus, the Cu(II) cations bound to the interior surfaces of these smectite clays constitute strong Lewis acid sites. 26 refs., 7 figs., 1 tab.
Benzene molecules , present in the proto-planetary nebula CRL 618, are ionized and dissociated by ultraviolet (UV) and X-ray photons originated from the hot central star and by its fast wind. Ionic species and free radicals produced by these processes can lead to the formation of new organic molecules. The aim of this work is to study the photoionization and photodissociation processes of the benzene molecule, using synchrotron radiation and time-of-flight mass spectrometry. Mass spectra were recorded at different energies corresponding to the vacuum UV (21.21 eV) and soft X-ray (282-310 eV) spectral regions. The production of ions from the benzene dissociative photoionization is here quantified, indicating that C_6H_6 is more efficiently fragmented by soft X-ray than UV radiation, where 50% of the ionized benzene molecules survive to UV dissociation while only about 4% resist to C-rays. Partial ion ...
Major advances in 'Energy and Materials Cycles' have been achieved in the removal of heavy metals from the solid residues of municipal waste incineration. It has been conclusively shown that the oxidation/reduction conditions established during the thermal treatment of filter ash have a decisive influence on the evaporation of groups of heavy metals. With respect to biomass gasification, studies have been carried out with respect to the best way of extracting pure hydrogen from the low calorific value gas that is typically obtained from a biomass gasifier. The overarching goal of the laboratory 'High Temperature Solar Technology' is the use of solar energy for the production of solar fuels, or for the reduction of CO{sub 2} emissions in large scale industrial processes that are conventionally carried out with the use of fossil fuels. In a short-term project targeted at the solar production of lime, highly encouraging results (98% degree of ...
A significant amount of X-rays were detected as a leakage from some of the Crooke`s tubes which were used in the teaching of science at junior and senior high schools in Japan. We measured the leaked dose of X-rays from the Crooke`s tubes with ionizing chambers, film badges and TLDs. The maximum leaked dose at 5cm distance from those tubes was estimated 143mSv/h. The effective energy of leaked X-rays was 19.3keV. The maximum dose of students exposed during the teaching of science were estimated 0.15mSv per experiment, which exceeded the value recommended in the ICRP publication 36. (author)
... 300710+Ceramic+Transactions+Series 2120%28Series+Code%29+Ceramic+Transactions+Series Wiley::Ceramic Transactions Series WILEY KNOWLEDGE FOR GENERATIONS United States Change Location Home ...CART | MY ACCOUNT | CONTACT US | HELP Home / Engineering & Materials Science / Materials Science / Ceramic Transactions Series Related Subjects Soft Matter Organic Electronics Structural Materials, ... Ceramics Structural Materials, Composites Structural Materials or Construction Materials Corrosion Electronics Materials Related Series Ceramic Engineering and Science Proceedings Wiley Series in Materials ...for Electronic and Optoelectric Applications Ceramic Transactions (CTs) books contain papers presented at the Annual Meeting of the American Ceramic Society, ...
Abstract An important aspect of Chinese academic health science libraries is their involvement in teaching medical information retrieval courses as part of the medical curriculum. Health science librarians in China have a more formal teaching role than is generally found in Western countries, including many full time teaching positions. This article provides a case study of Kunming Medical University Library, where courses are provided as credit units at both undergraduate and postgraduate levels. The teaching practices of Chinese health science libraries are compared with teaching experiences reported in Western countries. It is noted that Chinese government s educational policy is similar to that of the United States in promoting the role of the library in teaching subjects as part of th...
Scientific and technological communities have a significant role to play and responsibility for the evolution of global sustainability (continuously improving quality of life into the indefinite future). Sustainability is not possible without a substantially improved science and technology basis for industrial ecology. Society needs data and understanding of complex ecological issues to govern itself in a sustainable manner. We should: support and develop multi-disciplinary programs which create the scientific basis for understanding natural and anthropogenic complex systems and for developing environmentally and economically efficient technology; demonstrate a systems-based approach to science and technology issues which is life-cycle comprehensive, integrates environmental considerations, and promotes conservation of natural resources; and encourage development of responsible, technically and scientifically valid, cost-effective environmental ...
Protective goals set the line of orientation of tasks and activities in the field of accident prevention. They have to be based on safety-science methods in order to develop from the conceptual idea to the practically feasible solution, while using the scientific methods to take into account the facts and the capabilities of a situation and, proceeding from them, finding an efficient and rational, optimal pragmatic approach by way of various strategies or tactics. In this process, the activities of defining, informing, thinking and developing need the proper terminology. Safety is absence of danger, protection is limitation of danger and prevention of damage. So it is protection what is needed with danger being given, and risks have to be minimized. Riskology is a novel method of safety science, combining risk analysis and risk control into a systematic concept which is practice-oriented. Applying this to the field of nuclear engineering, the ...
Applications of molten salts technology to separation and synthesis of materials have been studied eagerly, which would develop new fields of materials science. Research Group for Actinides Science, Department of Materials Science, Japan Atomic Energy Research Institute (JAERI), together with Reprocessing and Recycle Technology Division, Atomic Energy Society of Japan, organized the Workshop on Molten Salts Technology and Computer Simulation at Tokai Research Establishment, JAERI on July 18, 2001. In the workshop eleven lectures were made and lively discussions were there on the fundamentals and applications of the molten salts technology that covered the structure and basic properties of molten salts, the pyrochemical reprocessing technology and the relevant computer simulation. The 10 of the presented papers are indexed individually. (J.P.N.)
ObjectivesTo improving the livelihoods of resource-poor farmers in developing countries through plant sciences research.Information on individual projects in the programme can be found by selecting this programme in the advanced search page. Please note that expenditure given in the project records contributes towards the overall expenditure of the programme.DescriptionProject Background: The PSP broad spectrum of research encompasses the latest biotechnology techniques for screening and breeding for drought/disease tolerance through to the development of key technologies - simple, low-cost interventions, the impacts of which are large enough to induce farmers to make other, perhaps more risky or more costly, changes in agronomic practices in order to make yet further gains. The Plant Sciences Research Programme funds projects under five research theme [continued...
The latest figures published by the Science and Engineering Indicators report reveals that in 2003, 33% of faculty in science and engineering departments at research universities were foreign-born, a number that has more than doubled in thirty years. Foreign-born faculty members comprise an important part of the scientific enterprise that has been understudied. The purpose of this study is to examine the job satisfaction patterns of scientists and engineers by status of birth using a very large and comprehensive National Science Foundation (NSF) dataset, the Survey of Doctoral Recipients (SDR). The results of the study indicate that foreign-born scientists and engineers are less satisfied in several areas of their work life as compared to their US-born peers.
The development and occurrence of new electron accelerators and applications are according to the human society development law, as a whole. The period of economic standstill is generating an intense creative activity in the domain of science and engineering which also resulting in great achievements in the field of electron accelerators. This paper presents the basic principle of the electron beam applications and the accelerators required characteristics for their present and potential applications in the domains: radiation sources, diagnostics, radiation processing, energetics, environment, defense and basic sciences. All these are correlated to the new generation of accelerators which, for the acceleration process, may employ electromagnetic fields generated by standard sources, atomic lasers, free electron lasers, Cerenkov effect, Smith - Purcell effect, electron beams, plasma, excited atoms into a crystal or other sources. Some more ...
Abstract Carbon climate, like other environmental sciences, has been changing. Large scale synthesis studies are becoming more common. These synthesis studies are often conducted by science teams that are geographically distributed and on data sets that are global in scale. A broad array of collaboration and data analytics tools are now available that could support these science teams. However, building tools that scientists actually use is difficult. Also, moving scientists from an informal collaboration structure to one mediated by technology often exposes inconsistencies in the understanding of the rules of engagement between collaborators. We have developed a scientific collaboration portal, called fluxdata.org, which serves the community of scientists providing and analyzing the globa...
vehicles including the H2-A rocket and the space shuttle. .... The vacuum can's main function is to provide a high vacuum so that the science experiment and its sensors ... EMI-shielded power conversion from the incoming ISS power supply. 4. ...
Oct 20, 1997 ... The following requirements apply to the solar array: ..... housings will be coated with material meeting the program's outgassing requirements. ... The solar array temperature testing requirements will be determined by analysis. .... The ADS also generates attitude products for the project and science team. ...
Power system analysis shows the output from the solar arrays varies as a function .... Each array corresponds to a raw image browse product, which is generated by .... low outgassing, ability to withstand long-term exposure to the space ...
Skip to Content Cancer Control and Population Sciences Home Applied Research Home Risk Factor Monitoring and Methods Home Diet Usual Dietary Intakes: Background The NCI Method Details of the NCI Method Food Intakes, US Population, 2001-04 Selected Intakes
Skip to Content Cancer Control and Population Sciences Home Applied Research Home Risk Factor Monitoring and Methods Home Diet Usual Dietary Intakes: Background The NCI Method Details of the NCI Method Food Intakes, US Population, 2001-04 Selected Intakes
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"American dominance in the study and development of high-energy particle physics may be seriously compromised, according to a report issued by the National Academy of Sciences, unless efforts are made to ensure that the next high-energy particle accelerator - the International Linear Collider (ILC) - will be constructed in the U.S.
Today some scientists are concerned that present budget considerations in Washington will make it impossible for the US to maintain its preeminence in important areas of science and technology. In the private sector there has been a demise of substantive R & D efforts through most of the major industries. For DOE a lack of future support for science and technology would be an important issue because this could impact DOE`s abilities to solve problems in its major areas of concern, national security, energy, environment. In fact some scientists maintain that were the present trend to continue unabated it could lead to a national security issue. Preeminence in science and technology plays a critical role in our nation`s position as the leader of world democracy. In contrast with this point of view of gloom and doom, however, in this presentation I hope to bring to you what I see as an exciting message of good news. Today ...
~4-5 times per day through a 40 Mbps Ku-band TDRSS link, while commands are uplinked on a 4 ..... During Phase 2 the budget will be ~$6M/year. Accounting ...
Apr 20, 2009 ... "YY" is the 2-digit filter identifier .... In our example you can see a point- like optical/UV source in each of the filters at the ... The "sigma" paramter gives the detection threshold in terms of Gaussian sigma. ...
The proliferation of stem cell research, conflated with its ethical and moral implications, has led governments to attempt regulation of both the science and funding of stem cells. Due to a diversity...Full Text Available
Papers are presented in the areas of: Medical Technologies; Non-Destructive Evaluation; Applications of Signal/Image Processing; Laser Guide Star and Adaptive Optics; Computational Electromagnetic, Acoustics and Optics; Micro-Impulse Radar Processing; Optical Applications; TANGO Space Shuttle.
Progress is reported in the following areas: metallurgy and ceramics (structure of materials, mechanical properties, physical properties), experimental research, and particle-solid interactions (irradiation effects on alloys). (DLC)
A 1984 American Association of the Academy of Sciences study of more than 150 successful science in-service programs developed a list of their characteristics, which included: Strong academic component in mathematics, science, and communications, focused on enrichment rather than remediation; academic subjects taught by teachers who are highly competent in the subject matter and believe that students can learn the materials; heavy emphasis on the applications of science and mathematics and careers in these fields; integrative approach to teaching that incorporates all subject areas, hands-on opportunities, and computers; multiyear involvement with students; recruitment of participants from all relevant target populations; opportunities for in-school and out-of-school learning experiences; parental involvement and development of base of community support; specific attention to removing educational ...
A 1984 American Association of the Academy of Sciences study of more than 150 successful science in-service programs developed a list of their characteristics, which included: Strong academic component in mathematics, science, and communications, focused on enrichment rather than remediation; academic subjects taught by teachers who are highly competent in the subject matter and believe that students can learn the materials; heavy emphasis on the applications of science and mathematics and careers in these fields; integrative approach to teaching that incorporates all subject areas, hands-on opportunities, and computers; multiyear involvement with students; recruitment of participants from all relevant target populations; opportunities for in-school and out-of-school learning experiences; parental involvement and development of base of community support; specific attention to removing educational ...
A scientific breakthrough at Queen's University's Sudbury Neutrino Observatory has received major international recognition. The journal Science ranked the discovery that cracked the "neutrino problem" second, in the journal's top 10 scientific achievements of 2002 (1/2 page).
Science and technology could be revolutionized by quantum computers, but building them from solid-state devices will not be easy. Robert W Keyes of IBM's research division outlines the challenges in scaling up the technology from lab experiments to practical devices. (U.K.)
Psychology as both a science and a profession has been closely identified with other disciplines in the broad field of health since the turn of the present century. Recent advances in health care have...Full Text Available
Electrospinning, a flexible jet-based fiber, scaffold, and membrane fabrication approach, has been elucidated as having significance to the heath sciences. Its capabilities have been most impressive...Full Text Available
ASTROSAT, India's first dedicated astronomy satellite is slated for launch in 2007. The primary science objective of ASTROSAT is to explore the Universe using broad-band instruments covering optical, UV, soft X-ray and hard X-ray studies
... Biomedical Engineering Optical and Photonic Materials and Devices Fundamental Optical Interactions ... of Texas Medical School OPTICAL AND PHOTONIC MATERIALS AND DEVICES Gary Bjorklund, IBM, Chair Nan ...
Since 2002 we have been testing and refining a methodology for ontology development that is now being used by multiple groups of researchers in different life science domains. Gary Merrill,...Full Text Available
... Tokyo Report: Japanese Government Budget for Materials R&D Date: 6/17/97 The National Science ... Graded Materials Area coordinator: Dr. Toshio Hirai, Professor, Institute for Materials Research ...
... materials science and education beyond what is expected from any one Center. "Advanced materials are ... for DMR's Division of Materials Research. "Fundamental research on materials is essential to the ...
Feb 24, 2000 ... NASA computer experts have been using a supercomputer to improve the NASA/ DeBakey miniature heart assist pump, leading to on-going human ...
...research and publications and some who are accredited by the British Association of Sport and Exercise Sciences (BASES), which enables them to work with high performance athletes . We care about your progress and welfare. As our recent QAA review noted \\
The empirical evidence that human color categorization exhibits some universal patterns beyond superficial discrepancies across different cultures is a major breakthrough in cognitive science. As observed...Full Text Available
125 Years of Science for America - 1879 to 2004 link to Western Coastal and Marine Geology website U.S. Geological Survey Professional Paper 1687 Marine Geology and Earthquake...
New developments in fluorophores as well as in detection methods have fueled the rapid growth of optical imaging in the life sciences. Commercial widefield microscopes generally use arc lamps, excitation/emission...Full Text Available
...Jhala, G and Rayjada, P A and Raole, P M and Mukherjee, S (2005) Influence of alloying elements on the corrosion properties of steels during plasma nitriding process . Journal of Metallurgy and Materials Science, 47 (1). pp. 31-38. This list was generated on ...
The major activities of the various Institute's departments are highlighted. The following departments are included: (i) Tokamak; (ii) Pulse plasma systems; (iii) Thermal plasma; (iv) Materials engineering; (v) Laser plasma; and (vi) Optical diagnosis. (P.A.)
Foreward: Preface; Introduction; The natural science of global climate change; Land and water use; Coastal zones and oceans; Energy and industry; Energy and social systems; Technological change; and Sponsoring organizations, International Advisory Board, and project participants.
Survey - science for a changing world USGS Home Contact USGS Search USGS Hawaiian Volcano Observatory U.S. Geological Survey Open-File Reports 2007-1316 through 2007-1354...
retrieve detailed aerosol and cloud particle size distribution and shape ...... but on rain types, and hydrometeor characteristics. ..... of ice streams, decreasing sea ice cover in the Arctic, poleward movement of forest cover, and ...
BackgroundMany interventions found to be effective in health services research studies fail to translate into meaningful patient care outcomes across multiple contexts. Health services...Full Text Available
This document is the published result, conclusion, or progress report of research performed by the staff of the U.S. Geological Survey, Fort Collins Science ... ...
...wood smoke, emissions, pollution, heaters, environment, Earthbeat - 25/5/2002: Woodsmoke, Health & the Environment Love that Planet All in the Mind The Buzz Health Report In Conversation Ockhams Razor Science Show The Lab Health Matters Catalyst Quantum ...
...October 2006 - present: University of Leeds, UK PhD Candidate in Geochemistry Thesis Title: Magnetite formation in reducing natural environments Supervisors: Dr Liane G. Benning ...Germany Bachelor of Science in Geosciences and Astrophysics Project Details Project Title: \\
The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...
... materials science and engineering, condensed-matter or materials physics, solid-state or materials ... include materials theory, condensed-matter and materials physics, solid-state and materials ...
While tritium exposure to the site-workers in Wolsung NPP is up to about 40% of the total personnel exposure, Ministry of Science and Technology has asked tritium removal facility for requirement of post heavy-water reactor construction. For the purpose o...
For the evaluation of the kidney impairment, serum creatinine concentrations or glomerular filtration rates are mainly used, and the conditions of solitary or transplanted kidney and chronic dialysis...Full Text Available
... a priority for each of us in the Division of Materials Research. We especially regard the timely ... to stakeholders why our investment in materials research is essential. We request your help in DMR ...
CF-23“The biggest stumbling block for biological sciences turned out to be synthetic organic chemistry” – Elias A. Zerhouni, Former NIH Director in Chemical...Full Text Available
... After completing a review into direct coal liquefaction research carried out in Australia and internationally, CSIRO has identified potential new science and technology developments that may improve the cost and viability of CTL in a greenhouse gas-constrained environment. We are conducting research to: determine the optimum ...
BackgroundThe search for cluster structure in microarray datasets is a base problem for the so-called "-omic sciences". A difficult problem in clustering is how to handle data with...Full Text Available
In this college-level introductory text the authors outline the fundamental principles of meteorology. The text is divided into three sections: meteorology, regionalization of climate, and climate change. Numerous charts, graphs, and photographs are displayed with each subject. A glossary of terms is also provided at the end of the book.
... Science: London, 1987; p. 237; (b) Ratner, MA; Shriver, D. F. Chem. ... 11. Lofton, EP; Thackeray, JW; Wrighton, MS J. ... (1) Dr. Harold H. Singerman (1) ...
Nov 18, 2010 ... Roughly speaking, the fidelity interval we quote is a "3 sigma" value. ... surface of the foremost quartz filter which is then chemically altered by ... ( CERES) scanner point accuracy using a coastline detection system", ...
Abstract This paper focuses on the basic principles of information technology (IT) organization within health sciences centers. The paper considers the placement of the leader of the...Full Text Available
...6 Resource type: documents MmIT: Multimedia Information and Technology Group Group aiming to facilitate communication between CILIP members interested in multimedia developments in the library and information science field. Visits to places of interest like museums and archives are frequently organised, and an email discussion list ...
Heidelberg: Springer-Verlag. ABRAHART, R.J., SEE, L.& DAWSON, C. ...Water Science and Technology Library: Springer. AL-AHMADI, K., HEPPENSTALL, A.J., ...Springer. BIRKIN, M.H., TURNER, A., WU, B.
Sep 9, 2009 ... You are here: GES DISC Home Geomorphology from Space By Location Landforms by Location: Asia. Info. Landforms by Location: Asia. KEY, ASIA ...
He said due to DoD's early involvement in the creation of the Internet (a product of DARPA), it has more address space at its disposal than most other organizations worldwide....
Currently there is considerable interest among oncologists to find anticancer drugs in Chinese herbal medicine (CHM). In the past, clinical data showed that some herbs possessed anticancer properties,...Full Text Available
BackgroundThe production of high yields of recombinant proteins is an enduring bottleneck in the post-genomic sciences that has yet to be addressed in a truly rational manner. Typically...Full Text Available
Very few areas of medical science have experienced more rapid development of new and beneficial treatment approaches during the past two decades than the disciplines required for total care of patients...Full Text Available
international vehicles, control centers, and ground support personnel. ... consists of thin membranes made from a polymer-based film and ..... (including airplanes and submarines), environmental monitoring, and control ...... sciences can use it to analyze the birth and death of stars, the formation of solar ...
Certain applications are described of radionuclide X-ray fluorescence analysis in the ore dressing industry, in the manufacture of building materials, in metallurgy, pharmacy, in the chemical, photographic and paper industries, in space exploration, in archeology and for measuring the thicknesses of thin layers of coatings. (ES).
45 Public Welfare 3 2010-10-01 2010-10-01 false Appendix A to Part 611 A Appendix A to Part 611 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE...
The advent of aberration correction for electron microscope lenses has produced a significant advance in the improvement of resolution in microscopy. This improvement, while significant in itself, promises to have its most profound impact in materials science when it delivers quantitative information to challenge models and modellers. This capability for an electron microscope-modelling synergy to deliver useful results at the atomic level is not yet firmly established. For this reason, one of the major challenges for electron microscopy in materials science over this decade is to study systems where electron microscopists and modellers can work collaboratively. This paper explores some examples.
Japan Atomic Energy Research Institute (JAERI) and the High Energy Accelerator Research Organization (KEK) are promoting the joint project integrating both the Neutron Science Project (NSP) of JAERI and the Japan Hadron Facility Project (JHF) of KEK for comprehensive studies on basic science and technology using high-intensity proton accelerator. This document describes the joint project prepared by the Joint Project Team of JAERI and KEK to construct accelerators and research facilities necessary both for the NSP and the JHF at the site of JAERI Tokai Establishment. It was originally written in English and translated into Japanese with some corrections. (author)
Radon is often used as a natural tracer for geochemical studies. In many cases radon interacts with water. The aim of this study is to assess the time required for radon to dissolve in water and reciprocally to degas from it, and to estimate the partition ratio between the two phases. A special setup has been devised and built for this purpose. Several experiments carried out with this equipment show that both dissolution and degassing are rapidly achieved phenomena. The qualitative consequence of these results in the field of Earth science are shortly discussed in the paper.
The Oak Ridge National Laboratory (ORNL) is a multiprogram, multipurpose laboratory that conducts research in the physical, chemical, and life sciences; in fusion, fission, and fossil energy; and in energy conservation and other energy-related technologies. This review outlines some current endeavors of the lab. A state of the laboratory presentation is given by director, Alvin Trivelpiece. Research of single crystals for welding is described. The Science Alliance, a partnership between ORNL and the University of Tennessee, is chronicled. And several incites into distinguished personnel at the laboratory are given. (GHH)
This report describes the activities conducted with DOE funds at Oregon Health Sciences University between 9/15/94 and 9/29/99. The activities fall into four major categories: Information Technology, Information Services and Support, Medical Informatics and Outcomes Research, and collaboration with other institutions. The focus of these activities was to implement and maintain a regional healthcare information network.
Different approaches to expertise and argumentation are discussed. After introducing the problem of expertise and its present day significance in a historical context, various connections with the study of arguments are highlighted. The need for and potential of argumentation analysis to contribute to existing research in social epistemology, science studies, and cognitive science, is discussed, touching on the problems of reasoning and argumentation, embodiment, tacit knowledge, expert context versus public context, expert disagreement, persuasion versus justification, and argument analysis as meta-expertise. As the arguments used by experts constitute a boundary object, we presume that a dialogue format is suitable to address central problems of the special issue ?Rethinking Arguments fr...
...Fransman - University of Edinburgh Patents: The next battleground for climate change - 07 May 2008 - Alison Brimelow - European Patents Office (EPO) Rethinking the EU budget - 23 Apr 2008 - Daniel Gros - Centre for European Policy Studies (CEPS) US needs a 'Science White House' - 23 Apr 2008 - David Baltimore - American Association for the Advancement of Science Addressing consumer concerns about climate change - 14 Apr 2008 - Various Authors - McKinsey Why the internal market needs ...
PEFP(Proton Engineering Frontier Project) is developing beamlines for various application fields by using the high current 100MeV proton linear accelerator. Beamlines were characterized and categorized by the beam energy, average currents, and irradiation conditions. Among these beamlines the TR104 is designed for the basic science and the research of the aerospace. Before the construction and installation of beamlines, we try to practice and prepare the detail process of installation by the precedent study of TR104 beamline in KAERI site. By this work installation process was checked and confirmed for the same condition of the PEFP site
Research programs on coal and coal liquefaction are presented. Topics discussed are: coal science, combustion, kinetics, surface science; advanced technology projects in liquefaction; two stage liquefaction and direct liquefaction; catalysts of liquefaction; Fischer-Tropsch synthesis and thermodynamics; alternative fuels utilization; coal preparation; biodegradation; advanced combustion technology; flue gas cleanup; environmental coordination, and technology transfer. Individual projects are processed separately for the data base. (CBS)
Measurements of the relaxation of the D{sub 2}O stretch mode in vitreous As{sub 2}S{sub 3} are presented. Because the bending mode of the molecule offers an intra-molecular decay channel for the stretch mode, the decay scheme of the D{sub 2}O molecule is more complex than that of diatomic molecules. The asymmetric stretch mode of D{sub 2}O has a frequency of 2680 cm{sup -1}. To study the relaxation of this mode we applied a pump-probe technique, using intense psec; pulses of the Stanford Free Electron Laser. Due to the small cross-section of the vibrational mode, successful efforts were made to improve the signal to noise ratio by using a laser stabilization system and a tightly focused beam to increase the intensity, by averaging the signal with a kHz repetition rate and by using samples with an optimized D{sub 2}O concentration. A rapid relaxation rate on the order of 5 x 10{sup 9} sec{sup -1} at low temperature is found ...
The performance of 250 different computational protocols (combinations of density functionals, basis sets and methods) was assessed on a set of 165 well-established experimental (1)H-(1)H nuclear coupling constants (J(H-H)) from 65 molecules spanning a wide range of "chemical space". Thereby we found that, if one uses core-augmented basis sets and allows for linear scaling of the raw results, calculations of only the Fermi contact term yield more accurate predictions than calculations where all four terms that contribute to J(H-H) are evaluated. It turns out that B3LYP/6-31G(d,p)u+1s is the best (and, in addition, one of the most economical) of all tested methods, yielding predictions of J(H-H) with a root-mean-square deviation from experiment of less than 0.5 Hz for our test set. Another method that does similarly well, without the need for additional 1s basis functions, is B3LYP/cc-pVTZ, which is, however, ca. 8 times more "expensive" in terms of CPU time. A ...
The process operation of the hot wall vapor deposition method, formation of dry organic thin film and the control of molecular arrangement were described. This equipment included a substrate on the upper end of the hot wall tube and the vapor source at the lower end. The remarkable features are the hot wall tube which plays the role to hold vaporizing molecules to the high temperature and to transport molecules, and the flip flop mechanism which gives some idle period for the molecular vaporization by shutter closing. Several experiments were carried out by using stearic acid and by changing the distance S from the upper end of hot wall quartz tube to the substrate, the furnace temperature T{sub f} and the substrate temperature T{sub s}. When T{sub f} is equal to or less than the melting point of stearic acid, molectles are preferentialy made to vertical arrangement. In the case of T{sub f} more than the melting point, the molecular rate of the ...
This paper describes a reactor design to facilitate a room-temperature nuclear fusion/fission reaction to generate heat without generating unwanted neutrons, gamma rays, tritium, or other radioactive products. The room-temperature fusion/fission reaction involves the sequential triggering of billions of single-molecule, "6LiD 'fusion energy pellets' distributed in lattices of a palladium ion accumulator that also acts as a catalyst to produce the molecules of "6LiD from a solution comprising D_2O, "6LiOD with D_2 gas bubbling through it. The D_2 gas is the source of the negative deuterium ions in the "6LiD molecules. The next step is to trigger a first nuclear fusion/fission reaction of some of the "6LiD molecules, according to the well-known nuclear reaction: "6Li + D #-># 2"4He + 22.4 MeV. The highly energetic alpha particles ("4He nuclei) generated by this nuclear reaction within the palladium ...
Decay processes of H{sub 2}{sup -} anions in {gamma}-rays-irradiated solid parahydrogen were studied by using ESR spectrometer. The following interesting results were obtained. First, the initial amount of ortho-H{sub 2}{sup -} anions in the {gamma}-irradiated solid parahydrogen was three times as large as those of para-H{sub 2}{sup -} anions. Second, the amount of para-H{sub 2}{sup -} anions decreases faster than that of ortho-H{sub 2}{sup -} anions upon storage of the irradiated samples at 4.2 K. Third, the decay rate of H{sub 2}{sup -} anions is accelerated by the addition of D{sub 2} molecules. Forth, H{sub 2}{sup -} anions at 2.2 K decay faster than at 4.2 K. According to the parity conservation rule in a homonuclear diatomic molecule, the energy of ortho-H{sub 2}{sup -} anions at the ground state is lower than that of para-H{sub 2}{sup -} anions, whereas that of ortho-H{sub 2} molecules is higher than that of ...
The performance of intermolecular potential models on the adsorption of benzene on graphitized thermal carbon black at various temperatures is investigated. Two models contain only dispersive sites, whereas the other two models account explicitly for the dispersive and electrostatic sites. Using numerous data in the literature on benzene adsorption on graphitized thermal carbon black at various temperatures, we have found that the effect of surface mediation on interaction between adsorbed benzene molecules must be accounted for to describe correctly the adsorption isotherm as well as the isosteric heat. Among the two models with partial charges tested, the WSKS model of Wick et al. that has only six dispersive sites and three discrete partial charges is better than the very expensive all-atom model of Jorgensen and Severance. Adsorbed benzene molecules on graphitized thermal carbon black have a complex orientation with respect to distance from ...
An outline is given of time-dependent wavepacket methods as applied to calculations of molecular collisions with solid surfaces. The methods reviewed include numerical integration algorithms for the time-dependent Schroedinger equation, semiclassical wavepacket treatments, and approximations that treat some of the degrees-of-freedom quantum-mechanically and others classically. The computational and numerical characteristics of these methods are discussed, with emphasis on their particular advantages and relevance in the context of certain molecule/surface scattering problems. For the semiclassical and mixed quantal-classical treatments, the approximation errors and their physical origins are discussed. For the quantum wavepacket techniques a numerical error analysis is presented. The computational efficiency of the various algorithms is considered and examined in the context of several applications. The main focus is on diffractive scattering of atoms and light ...
Our research in the general area of acid catalysis involves the characterization of solid acidity and the corresponding assessment of catalytic performance of acidic materials. Acid characterization studies are required to provide essential information about the type of acid site (i.e., Lewis versus Bronsted), the strength of the sites, and the mobility of molecules adsorbed on the acid sites. An accurate measure of acid strength is given by the heat of adsorption of a basic probe molecule on the acid site. A thermodynamic representation of the mobility of adsorbed species on these sites is given by the entropy of adsorption. Important techniques used in these acid site characterization studies include microcalorimetry, thermogravimetric measurements, temperature programmed desorption, infrared spectroscopy and solid state nuclear magnetic resonance. The combination of these acid site characterization studies with reaction kinetics measurements ...
The high-energy radiation-induced degradation of an H-acid derivative azo dye, Apollofix-Red SF-28 (AR-28) was studied in aqueous solution by using pulse radiolysis with kinetic spectroscopic detection for transient measurements. Gamma radiolysis with UV-VIS spectroscopy and gradient ionpair HPLC separation with diode array detection were applied for following the destruction of AR-28 and measuring the products. The reactions of hydrated electron (e_a_q "-) and hydroxyl ("#centre dot#OH) radical were investigated separately. "#centre dot#OH reacts with the unsaturated bonds of the molecule. In the further reactions of the "#centre dot#OH adduct radicals, the AR-28 molecules partly reform with a slightly modified structure. The products formed in the first reaction of "#centre dot#OH and AR-28 molecules have also high reactivity towards the "#centre dot#OH radicals. For these reasons the efficiency of "#centre dot#OH ...
This paper reports on the superiority of zeolites over amorphous solids which is well documented for solid acid catalysts of industrial use. Crystalline supports, likewise, open attractive perspectives for catalysis by metals, alloys, and ligated metal clusters. Size and location of clusters can be controlled by careful design of the preparation conditions. Pore dimensions control the access of reactants to active sites and escape paths for products. Cage dimensions determine which transition states can be attained; window apertures are functional in isolating metal clusters from each other, thus preventing ther coalescence and growth. The ship-in-a-bottle method permits deisgn of fairly large active complexes entrapped in zeolite cages. Orientation of non-spherical molecules in a zeolite proe helps to direct their collision with a metal particle to the head on mode; however, isolated Pt atoms hidden in niches of the pore walls can attack passing ...
The high resolution spectrum of the parahydrogen Q{sub 3}(0) transition at 11758 cm{sup -1} has allowed specific quantum state assignment of the ten lines which compose this transition. The transition cannot occur unless a dipole moment is induced in the parahydrogen by an external field. The quadrupole field of an impurity o-H{sub 2} molecule provides this field, and the transition occurs in the orientationally dependent field of the orthohydrogen molecule. Transitions induced by the quadrupolar field of the J=1 H{sub 2} in the nearest neighbor as well as in the next nearest neighbor shells have been observed. By lowering the impurity orthohydrogen concentration, the authors have observed lines with linewidths of approximately 15 MHz hwhm with a Ti:Sapphire laser having a sensitivity of 3x10{sup -5} ({Delta}I/I) using the toneburst method. Additionally, the second vibrational overtone of the impurity orthohydrogen molecule ...
Glycosaminoglycan synthesis by two subpopulations of a mouse mammary tumor cell line was compared. The two sublines express distinctly different growth characteristics in vitro and in vivo which indicate differences in growth regulation. Newly made glycosaminoglycans were recovered from the culture media, the cell surfaces, and residual cellular material. The cell population which grows more aggressively in vivo (+SA subline, a subline that grows in soft agarose) incorporated about 8 times more (/sup 14/C)glucosamine per cell into total glycosaminoglycans than did the slower-growing population (-SA subline, which does not grow in soft agarose). Appropriate control experiments indicated that the apparent difference in rates of synthesis was not due to discrepancies in glucosamine uptake. The main residual cellular molecule labeled was heparan sulfate, but the predominant molecule at the cell surface and in the culture fluid was hyaluronic acid. ...
Enthalpy relaxation properties of the ethylene glycol (EG) aqueous solutions confined within silica-gel void spaces of 1.1 nm in the average void thickness and 6, 12 and 52 nm in their average diameters were examined by an adiabatic calorimetry to understand the glass transition behavior of the solutions and the rearrangement processes of the molecules. The glass transition temperature Tg of EG was found to decrease with adding the water molecules which are mobile under the condition lacking in the full hydrogen-bond network. Meanwhile, the Tg in the water-rich region showed a rise towards pure water; after a phase separation in a 25 mol% (x = 0.25) EG solution, the Tg was 160 K which was higher than that derived by extrapolating the composition dependence to pure water. The Tg = 160 K is the same as observed in the pure water confined within 1.1 nm voids; this indicates the validity of the interpretation that the glass transition at 160 K of ...
Using stoichiometrically controlled 1:1 functionalization of gold nanoparticles with fluorescent dye molecules in which the dye molecule is held away from the particle surface by a rigid DNA spacer allows precise determination of the distance-dependent effect of the metal nanoparticles on fluorescence intensity. Two dyes were studied, Cy3 and Cy5, with two sizes of nanoparticles, 5 and 10 nm. The larger the particle, the more quenching of the photoluminescence (PL) intensity, due to increased overlap of the dye's emission spectrum with the Au surface plasmon resonance. Fluorescence is quenched significantly for distances somewhat larger than the particle diameter, in good agreement with the predictions of an electrodynamics model based on interacting dipoles. The distance dependence of surface energy transfer behavior, i.e. quenching efficiency, is proportional to 1/d4, which involves no consideration of the size of the particle and the ...
The objective of our research was to obtain fundamental information regarding the functional dependence of the diffusion coefficient of coal molecules on the ratio of molecule to pore diameter. That is, the objective of our study was to examine the effect of molecule size and configuration on hindered diffusion of coal macromolecules through as porous medium. To best accomplish this task, we circumvented the complexities of an actual porous catalyst by using a well defined porous matrix with uniform capillaric pores, i.e., a track-etched membrane. In this way, useful information was obtained regarding the relationship of molecular size and configuration on the diffusion rate of coal derived macromolecules through a pore structure with known geometry. Similar studies were performed using a pellet formed of porous alumina, to provide a link between the idealized membranes and the actual complex pore structure of real catalyst ...
The ability to feed on vertebrate blood has evolved many times in various arthropod clades. Each time this trait evolves, novel solutions to the problem posed by vertebrate hemostasis are generated. Consequently, saliva of blood-feeding arthropods has proven to be a rich source of antihemostatic molecules. Vasodilators include nitrophorins (nitric oxide storage and transport heme proteins), a variety of peptides that mimic endogenous vasodilatory neuropeptides, and proteins that catabolize or sequester endogenous vasoconstrictors. A variety of platelet aggregation inhibitors antagonize platelet responses to wound-generated signals, including ADP, thrombin, and collagen. Anticoagulants disrupt elements of both the intrinsic and extrinsic pathways. Molecular approaches (termed 'sialomics') to characterize the full inventory of mRNAs transcribed in salivary glands have revealed a surprising level of complexity within a single species. Multiple salivary proteins may be ...
Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints some deuterium ...
Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints some deuterium ...
Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints some deuterium ...
The human articular cartilagineous proteoglycans (PG) R.I.A. is highly specific. The PG used as the standard and the /sup 125/I labelled molecule appear to be pure. Under these conditions, all the potential interfering substances which have been tested show no cross reaction. For instance, the Ag-Ab equilibrium is not affected by adding human IgG, human albumin, hyaluronic acid, chondroitin sulfate, rat type II collagen or total human serum proteins. This R.I.A. also exhibits a species spcificity since there is no cross reaction with rat PG and negligible cross section with dog PG. The results obtained after addition of enzymes to the antigen demonstrate that the antigenic sites are localized on the protein region and not on the glycosaminoglycan region of the molecule.
Spatial Fluorescence Cross Correlation Spectroscopy is a rarely investigated version of Fluorescence Correlation Spectroscopy, in which the fluorescence signals from differ-ent observation volumes are cross-correlated. In the reported experiments, two observation volumes, typically shifted by a few $\\mu$m, are produced, with a Spatial Light Modulator and two adjustable pinholes. We illustrated the feasibility and potentiality of this technique by: i) measuring molecular flows, in the range 0.2 - 1.5 $\\mu$m/ms, of solutions seeded with fluorescent nanobeads or rhodamine molecules (simulating active transport phenomenons); ii) investigating the perme-ability of phospholipidic membrane of Giant Unilamellar Vesicles versus hydrophilic or hydrophobic molecules (in that case the laser spots were set on both sides of the mem-brane). Theoretical descriptions are proposed together with a discussion about FCS based, alternative methods.
A brief survey is presented of the methods of preparation and of the applications of radiopharmaceuticals labelled with short-lived positron radionuclides "1"1C, "1"8F, "1"3N and "1"5O which, thanks to their energy level schemes, short half-life and the 511 keV photon radiation energy are almost ideal tracers in modern nuclear medicine and pharmacology. In conjunction with computerized tomography, they represent one of the most sensitive diagnostic imaging methods, the so-called positron emission tomography. In addition, their incorporation in the molecule of a pharmaceutical does not change the biological and chemical properties of the original molecule unlike those of radiopharmaceuticals labelled with technetium, iodine, etc. (author). 125 refs.
Phospholipase D (PLD) has been recognized as a regulator of cell proliferation and tumorigenesis, but little is known about the molecules regulating PLD expression. Thus, the identification of small molecules inhibiting PLD expression would be an important advance in PLD-mediated physiology. Quercetin, a ubiquitous bioactive flavonoid, is known to inhibit proliferation and induce apoptosis in a variety of cancer cells. In the present study, we examined the effect of quercetin on the expression of PLD in U87 glioma cells. Quercetin significantly suppressed the expression of PLD1 at the transcriptional level. Moreover, quercetin abolished the protein expression of PLD1 in a time and dose-dependent manner, as well as inhibited PLD activity. Quercetin suppressed NFkB-induced PLD1 expression vi...
Within the framework of the cluster approach and the semiempirical SCF MO LCAO method in the CNDO/BW valence approximation, possible pathways have been compared for the dehydroxylation of aluminosilicate systems. It has been shown that dehydroxylation as a result of splitting of a water molecule from an acidic bridge hydroxyl group and a more basic terminal group Al-OH is the most energyfavorable. Apparently, such a dehydroxylation pathway is primarily characteristic for amorphous aluminosilicates. Typical of crystalline aluminosilicates at moderate heat-treating temperature is dehydroxylation through splitting of a water molecule from an acidic bridge hydroxyl group and a neutral Si-OH group; at higher temperatures, there is a possible pathway of dehydroxylation of highsilica zeolites as a result of condensation of two acidic surface hydroxyls.
Recently, we cloned purpurin cDNA as an upregulated gene in the axotomized fish retina. The retina-specific protein was secreted from photoreceptors to ganglion cell layer during an early stage of optic nerve regeneration in zebrafish retina. The purpurin worked as a trigger molecule for axonal regrowth in adult injured fish retina. During zebrafish development, purpurin mRNA first appeared in ventral retina at 2 days post-fertilization (dpf) and spread out to the outer nuclear layer at 3 dpf. Here, we investigated the role of purpurin for zebrafish retinal development using morpholino gene knockdown technique. Injection of purpurin morpholino into the 1-2 cell stage of embryos significantly inhibited the transcriptional and translational expression of purpurin at 3 dpf. In the purpurin mo...
The cover picture shows the fertile combination of synthetic chemistry and experimental physics, both permanently making central contributions to hot scientific topics in spite of being classical scientific disciplines with long-standing traditions. The displayed scientist struggles with the synthesis of cruciform structures (displayed on the black board) for single-molecule-transport investigations in a mechanically controlled break junction setup (sketched in the inset at the upper right corner). More information on the design and synthesis of the cruciform structures, such as their immobilization experiments, is found in the article by M. Calame, M. Mayor et al. on p. 833 ff. Serafin Pazdera is greatly acknowledged for the cover artwork.
The separation and the mechanism of retention of ion associates of #alpha#-isomers of molybdic and tungstic heteropoly acids (HPA) of phosphorus(5), silicon(4), and germanium(4) with trioctylamine (TOA) on a column (80x3 mm) packed with Diasorb-130-CN (8 #mu#m) were studied in a flow of chloroform-tetrahydrofuran (THF) and chloroform-n-butanol-TOA mixtures with spectrophotometric detection at 320 nm. It is demonstrated that the adsorption of all the studied ion associates proceeds through the displacement THF molecule from the surface of the stationary phase and without the displacement of TOA molecules. Conditions for the separation of phospho- and silicomolybdic HPA and also phospho- and germanolybdic HPA were found. The chromatographic system using silica gel modified with nitrile groups as the stationary phase is of higher selective than that using ummodified silica gel.
Jahn-Teller theorem, proposed in 1937, predicts a distortional instability for a molecule that has symmetry based degenerate electronic states. In 1939 Krishnan emphasized the importance of this theorem for the arrangement of water molecules around the transition metal or rare earth ions in aqueous solutions and hydrated saltes, in a short and interesting paper published in Nature by pointing out atleast four existing experimental results in support of the theorem. This paper of Krishnan has remained essentially unknown to the practitioners of Jahn-Teller effect, eventhough it pointed to the best experimental results that were available, in the 30's and 40's, in support of Jahn-Teller theorem. Some of the modern day experiments are also in conformity with some specific suggestions of Krishnan.
This communication reports the formation of complex Langmuir monolayer at the air-water interface by charge transfer types of interaction with the water soluble N-cetyl Formula Not Shown -trimethyl ammonium bromide (CTAB) molecules doped with rosebengal (RB), with the stearic acid (SA) molecules of a preformed SA Langmuir monolayer. The reaction kinetics of the formation of RB-CTAB-SA complex monolayer was monitored by observing the increase in surface pressure with time while the barrier was kept fixed. Completion of interaction kinetics was confirmed by FTIR study. This complex Langmuir films at the air-water interface was transferred onto solid substrates at a desired surface pressure to form multilayered Langmuir-Blodgett films. Spectroscopic characterizations reveal some molecular lev...
Extraction of hafnium by 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (HL) in benzene, toluene, chloroform and tetrachloromethane from aqueous-alcoholic solutions of the formal acidity of 2M-HClO_4 was studied. Methyl, ethyl, n- and isopropyl, tert-butyl and allyl alcohol as well as ethylene glycol monomethyl ether and propylene glycol were used as organic components of the mixed aqueous-organic phase. Their presence in some cases resulted in a synergic increase in the distribution ratio of hafnium. The increase is interpreted using the results of a slope analysis and measurements of the alcohol distribution and the relative permittivity of the organic phase. It is suggested that HfL_4 molecules were solvated by alcohol molecules in the organic phase. At high alcohol concentration synergism changed into antagonism. This was caused by changes in the distribution of HL and its interaction with the alcohol in the organic phase. (author).
In a sufficiently large cluster of several polar molecules, collective interactions lead to localization or 'solvation' of electrons. The existence of the solvated electron is known since 1863 in liquid ammonia and since 1962 for liquid water. In 1984, electron localization in clusters was experimentally demonstrated in (H_2O)_N_#>=#_1_1 and (NH_3)_N_#>=#_3_4 clusters. In cooperation with K. Bowen, we recently initiated a test of the theory of electron binding by a dipole and a new ground state dipole bound dimer anion, (H_2O..NH_3), was predicted and observed. We here describe results of a search for new dipole-bound and solvated electron systems. (author).
Summation Copper-64 (T1/2?=?12.7 hours; ?+, 0.653?MeV [17.8 %]; ??, 0.579?MeV [38.4 %]) has decay characteristics that allow for positron emission tomography (PET) imaging and targeted radiotherapy of cancer. The well-established coordination chemistry of copper allows for its reaction with a wide variety of chelator systems that can potentially be linked to peptides and other biologically relevant small molecules, antibodies, proteins, and nanoparticles. The 12.7-hours half-life of 64Cu provides the flexibility to image both smaller molecules and larger, slower clearing proteins and nanoparticles. In a practical sense, the radionuclide or the 64Cu-radiopharmaceuticals can be easily shipped for PET imaging studies at sites remote to the production facility. Due to the versatility of 64Cu, ...
Thienyl oxazoles and thienyl isoxazoles, are composite molecules having two subsystems thiophene and oxazole molecules connected together by a single bond that they have 13 isomers. They are potential candidates for many kinds of applications such as OLED and nonlinear optical materials. Initially equilibrium geometries of title compounds have been obtained without any restriction using density functional theory with 6-311++g(2d,p) basis set. We obtained structural parameters, dipole moment and electronic energy. At the second stage, we have calculated some electronic and nonlinear optical properties such as HOMO and LUMO energies, polarizability, anisotropic polarizability and hyper polarizability using same level of theory.