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Theoretical Value (theoretical + value)
Selected AbstractsElastic properties of dry clay mineral aggregates, suspensions and sandstonesGEOPHYSICAL JOURNAL INTERNATIONAL, Issue 1 2003Tiziana Vanorio SUMMARY The presence of clay minerals can alter the elastic behaviour of rocks significantly. Although clay minerals are common in sedimentary formations and seismic measurements are our main tools for studying subsurface lithologies, measurements of elastic properties of clay minerals have proven difficult. Theoretical values for the bulk modulus of clay are reported between 20 and 50 GPa. The only published experimental measurement of Young's modulus in a clay mineral using atomic force acoustic microscopy (AFAM) gave a much lower value of 6.2 GPa. This study has concentrated on using independent experimental methods to measure the elastic moduli of clay minerals as functions of pressure and saturation. First, ultrasonic P - and S -wave velocities were measured as functions of hydrostatic pressure in cold-pressed clay aggregates with porosity and grain density ranging from 4 to 43 per cent and 2.13 to 2.83 g cm,3, respectively. In the second experiment, P - and S -wave velocities in clay powders were measured under uniaxial stresses compaction. In the third experiment, P -wave velocity and attenuation in a kaolinite,water suspension with clay concentrations between 0 and 60 per cent were measured at ambient conditions. Our elastic moduli measurements of kaolinite, montmorillonite and smectite are consistent for all experiments and with reported AFAM measurements on a nanometre scale. The bulk modulus values of the solid clay phase (Ks) lie between 6 and 12 GPa and shear (,s) modulus values vary between 4 and 6 GPa. A comparison is made between the accuracy of velocity prediction in shaley sandstones and clay,water and clay,sand mixtures using the values measured in this study and those from theoretical models. Using Ks= 12 GPa and ,s= 6 GPa from this study, the models give a much better prediction both of experimental velocity reduction due to increase in clay content in sandstones and velocity measurements in a kaolinite,water suspension. [source] Lattice dynamics of chalcopyrite semiconductors LiAlTe2, LiGaTe2 and LiInTe2PHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 2 2009A. V. Kosobutsky Abstract Within density functional perturbation theory using norm-conserving pseudopotentials and a plane-wave basis set calculations of phonon dispersion relations and densities of states of LiAlTe2, LiGaTe2 and LiInTe2 compounds being crystallized into the tetragonal chalcopyrite structure have been performed. Theoretical values of phonon mode frequencies in LiGaTe2 and LiInTe2 are in good agreement with the experimental data available for these crystals obtained by the methods of Raman and infrared spectroscopies. The similarity of the physical and chemical properties of the crystals concerned manifests itself in the similarity of their phonon spectra that are especially close to each other in low- and high-frequency ranges. Phonon modes of the upper phonon band are predominantly caused by the lithium sublattice vibrations and have an upper bound of 350,370 cm,1. In a mid-frequency range a significant downshift of the vibrational frequencies is observed on going from LiAlTe2 to LiGaTe2 and LiInTe2 that is a consequence of the third group cation mass reduction. From calculated electron density maps it follows that Li-containing chalcopyrites are characterized by a less pronounced bond between the first group cation and anion as compared with the Cu- and Ag-based analogs due to the absence of pd-hybridization. (© 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] The Composition of Jerusalem Artichoke (Helianthus tuberosus L.) Spirits Obtained from Fermentation with Bacteria and YeastsENGINEERING IN LIFE SCIENCES (ELECTRONIC), Issue 1 2005K. Szambelan Abstract The composition of spirits distilled from fermentation of Jerusalem artichoke (Helianthus tuberosus L.) tubers was compared by means of gas chromatography. The microorganisms used in the fermentation processes were the bacterium Zymomonas mobilis, strains,3881 and 3883, the distillery yeast Saccharomyces cerevisiae, strains,Bc16a and D2 and the Kluyveromyces fragilis yeast with an active inulinase. The fermentation of mashed tubers was conducted using a single culture of the distillery yeast Saccharomyces cerevisiae and the bacterium Zymomonas mobilis (after acid or enzymatic hydrolysis) as well as Kluyveromyces fragilis (sterilized mashed tubers). The tubers were simultaneously fermented by mixed cultures of the bacterium or the distillery yeast with K.,fragilis. The highest ethanol yield was achieved when Z.,mobilis,3881 with a yeast demonstrating inulinase activity was applied. The yield reached 94,% of the theoretical value. It was found that the distillates resulting from the fermentation of mixed cultures were characterized by a relatively lower amount of by-products compared to the distillates resulting from the single species process. Ester production of 0.30,2.93,g/L, responsible for the aromatic quality of the spirits, was noticed when K.,fragilis was applied for ethanol fermentation both in a single culture process and also in the mixed fermentation with the bacterium. Yeast applied in this study caused the formation of higher alcohols to concentrations of 7.04,g/L much greater than those obtained with the bacterium. The concentrations of compounds other than ethanol obtained from Jerusalem artichoke mashed tubers, which were fermented by Z.,mobilis, were lower than those achieved for yeasts. [source] Magnetic and Structural Investigation of ZnSe Semiconductor Nanoparticles Doped With Isolated and Core-Concentrated Mn2+ IonsADVANCED FUNCTIONAL MATERIALS, Issue 15 2009Christina Graf X-Ray magnetic circular dichroism (XMCD) experiments on diluted magnetic semiconductor nanocrystals (2,7,nm) are reported in order to study their local electronic structure and magnetic properties. ZnSe nanoparticles containing either single manganese ions (Mn2+) distributed in the lattice of the entire particle or a MnSe core in the center are prepared using high temperature approaches. The Mn2+ concentration is varied between less than one to several tens of manganese ions per nanocrystal. For all samples it is shown that the Mn2+ is exclusively present in the bulk of ZnSe nanoparticles with no evidence for oxidation to higher Mn-oxidation states. The magnetic ions are highly polarized inside the nanocrystals reaching about 80% of the theoretical value of a pure d5 state under identical conditions for the case of isolated manganese ions. Nanocrystals with a MnSe core ZnSe shell structure reach <50% of this value. Thus, their polarization is significantly more hindered, which is due to the significantly enhanced Mn,Mn interactions and a more distorted crystalline lattice. In contrast, no coupling between the manganese centers is observed in the nanoparticles doped samples with low concentrations of Mn2+, indicating that these ions are isolated in the bulk of the nanoparticles. [source] Transferability indices for health economic evaluations: methods and applicationsHEALTH ECONOMICS, Issue 6 2009Fernando Antonanzas Abstract In this paper, we have elaborated an index in two phases to measure the degree of transferability of the results of the economic evaluation of health technologies. In the first phase, we have considered the objective factors (critical and non-critical) to derive a general transferability index, which can be used to measure this internal property of the studies of economic evaluation applied to health technologies. In the second phase, with a more specific index, we have measured the degree of applicability of the results of a given study to a different setting. Both indices have been combined (arithmetic and geometric mean) to obtain a global transferability index. We have applied the global index to a sample of 27 Spanish studies on infectious diseases. We have obtained an average value for the index of 0.54, quite far from the maximum theoretical value of 1. We also found that 11 studies lacked some critical factor and were directly deemed as not transferable. Copyright © 2008 John Wiley & Sons, Ltd. [source] A review on advances in alkali metal thermal to electric converters (AMTECs)INTERNATIONAL JOURNAL OF ENERGY RESEARCH, Issue 10 2009Shuang-Ying Wu Abstract The alkali metal thermal to electric converter (AMTEC) is one of the most promising technologies for direct conversion of thermal energy to electricity and has been receiving attention in the field of energy conversion and utilization in the past several decades. This paper aims to present a comprehensive review of the state of the art in the research and development of the AMTEC, including its working principles and types, historical development and applications, analytical models, working fluids, electrode materials, as well as the performance and efficiency improvement. The current two major problems encountered by the AMTEC, the time-dependent power degradation and relatively low efficiency compared to its theoretical value, are discussed in depth. In addition, a brief comparison of the AMTEC with other direct thermal to electric converters (DTECs), such as the thermoelectrics converter (TEC), thermionics converter, and thermophotovoltaics converter, is given, and combinations of different DTECs to further improve DTECs' power generation and overall conversion efficiency are demonstrated. Future research and development directions and the issues that need to be further investigated are also suggested. It is believed that this comprehensive review will be beneficial to the design, simulation, analysis, performance assessment, and applications of various types of AMTECs. Copyright © 2009 John Wiley & Sons, Ltd. [source] Tobramycin and Gentamycin elution analysis between two in situ polymerizable orthopedic compositesJOURNAL OF BIOMEDICAL MATERIALS RESEARCH, Issue 1 2003M. DiCicco Abstract This research analyzed Tobramycin and Gentamycin elution characteristics for two antibiotic-impregnated bone composites: PMMA-based Simplex P® and the novel, hybrid, bioactive, CORTOSSÔ. Experimental results were correlated with composite hydrophilicity and antibiotic phase partitioning behaviors. The phase partitioning experiment was conducted to understand antibiotic solubility in aqueous environments. By comparing experimental results with calculated data, antibiotic release behavior was predicted. Total Tobramycin elution percentages from CORTOSS and Simplex P were 12.5 and 6.4%, respectively. Total Gentamycin elution percentages from CORTOSS and Simplex P were 6.95 and 10.17%, respectively. Phase partitioning data indicate 100% of Tobramycin remains in aqueous phases, being extremely hydrophilic. This is supported by its calculated theoretical value (log P = , 7.32). Results suggest that Tobramycin elution can be attributed to composite hydrophilicity as well as its high degree of hydrophilicity. Fifteen percent of Gentamycin distributes in hydrophobic phases (log P = , 4.22). Despite a lower Gentamycin hydrophilicity, its release was affected by its complexation with polar salts in the leaching buffer, thereby increasing its elution potential, making it appreciably water soluble. CORTOSS is more hydrophilic; therefore the migration of aqueous liquids into the polymer network of CORTOSS facilitates greater antibiotic elution compared with hydrophobic Simplex P. © 2003 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 65B: 137,149, 2003 [source] Adjusting Bone Mass for Differences in Projected Bone Area and Other Confounding Variables: An Allometric Perspective,JOURNAL OF BONE AND MINERAL RESEARCH, Issue 4 2002Alan M. Nevill B.Sc., Ph.D. Abstract The traditional method of assessing bone mineral density (BMD; given by bone mineral content [BMC] divided by projected bone area [Ap], BMD = BMC/Ap) has come under strong criticism by various authors. Their criticism being that the projected bone "area" (Ap) will systematically underestimate the skeletal bone "volume" of taller subjects. To reduce the confounding effects of bone size, an alternative ratio has been proposed called bone mineral apparent density [BMAD = BMC/(Ap)3/2]. However, bone size is not the only confounding variable associated with BMC. Others include age, sex, body size, and maturation. To assess the dimensional relationship between BMC and projected bone area, independent of other confounding variables, we proposed and fitted a proportional allometric model to the BMC data of the L2-L4 vertebrae from a previously published study. The projected bone area exponents were greater than unity for both boys (1.43) and girls (1.02), but only the boy's fitted exponent was not different from that predicted by geometric similarity (1.5). Based on these exponents, it is not clear whether bone mass acquisition increases in proportion to the projected bone area (Ap) or an estimate of projected bone volume (Ap)3/2. However, by adopting the proposed methods, the analysis will automatically adjust BMC for differences in projected bone size and other confounding variables for the particular population being studied. Hence, the necessity to speculate as to the theoretical value of the exponent of Ap, although interesting, becomes redundant. [source] Enhanced ethanol production from enzymatically treated steam-exploded rice straw using extractive fermentationJOURNAL OF CHEMICAL TECHNOLOGY & BIOTECHNOLOGY, Issue 8 2001Yoshitoshi Nakamura Abstract Alcohol fermentation of an enzymatic hydrolyzate of exploded rice straw was studied experimentally. Rice straw was treated under variable conditions, such as steam pressure and steaming time. The exploded rice straw was separated into water-soluble material, methanol-soluble lignin, Klason lignin, and a mixture of cellulose and a low molecular weight substance. The effects of steam explosion on the characteristics of the exploded rice straw were clarified from the point of view of the amounts of extractive components. Steam explosion was found to be effective for the delignification of rice straw and for increasing its susceptibility to enzyme hydrolysis and alcohol fermentation. The polysaccharides (cellulose and hemicellulose) in the rice straw treated at a steam pressure of 3.5,MPa with a steaming time of 2,min were hydrolyzed almost completely into monosaccharides, (ie glucose and xylose) by a mixture of Trichoderma viride cellulase (Meicelase) and Aspergillus aculeatus cellulase (Acucelase). The enzymatic hydrolyzate of exploded rice straw was converted into ethanol efficiently by Pichia stipitis and the ethanol yield from sugar was about 86%(w/w) of the theoretical value. The ethanol concentration in a membrane bioreactor coupled with a pervaporation system reached 50,gdm,3 and was about five times higher than that in the culture broth. The energy efficiency (ratio of combustion energy of ethanol produced to energy for steam explosion) reached a maximum value at a pressure of 3.5,MPa for 2,min. © 2001 Society of Chemical Industry [source] MRI measurement of time-resolved wall shear stress vectors in a carotid bifurcation model, and comparison with CFD predictionsJOURNAL OF MAGNETIC RESONANCE IMAGING, Issue 2 2003Panorea Papathanasopoulou MSc Abstract Purpose To study pulsatile fluid flow in a physiologically realistic model of the human carotid bifurcation, and to derive wall shear stress (WSS) vectors. Materials and Methods WSS vectors were calculated from time-resolved 3D phase-contrast (PC) MRI measurements of the velocity field. The technique was first validated with sinusoidal flow in a straight tube, and then used in a model of a healthy human carotid bifurcation. Velocity measurements in the inflow and outflow regions were also used as boundary conditions for computational fluid dynamics (CFD) calculations of WSS, which were compared with those derived from MRI alone. Results The straight tube measurements gave WSS results that were within 15% of the theoretical value. WSS results for the phantom showed the main features expected from fluid dynamics, notably the low values in the bulb region of the internal carotid artery, with a return to ordered flow further downstream. MRI was not able to detect the high WSS values along the divider wall that were predicted by the CFD model. Otherwise, there was good general agreement between MRI and CFD. Conclusion This is the first report of time-resolved WSS vectors estimated from 3D-MRI data. The technique worked well except in regions of disturbed flow, where the combination with CFD modeling is clearly advantageous. J. Magn. Reson. Imaging 2003;17:153,162. © 2003 Wiley-Liss, Inc. [source] The bulk crystallization of ,-lactose monohydrate from aqueous solutionJOURNAL OF PHARMACEUTICAL SCIENCES, Issue 7 2001S.L. Raghavan Abstract The bulk crystallization of ,-lactose monohydrate from aqueous solution by primary nucleation has been studied under controlled conditions of supersaturation, temperature, and pH. The induction times to nucleation were extremely long compared with those generally observed for other materials, even at the high supersaturations used in the experiment. As a result, it was necessary to stir the supersaturated solution vigorously to induce nucleation in a reasonable but still lengthy working time. Even then, nucleation only occurred to a limited extent, following which growth ceased for 8,10 h before resuming. After this period, growth recommenced but again slowed to a low rate after another 8 h. At this stage, the yield of product was low and in most cases the particles had achieved sizes close to the maximum noted. The yields increased with further crystallization time (22,72 h total from the recommencement of growth) to give, under high initial supersaturation conditions, amounts of product close to the theoretical value. For the most part, however, the particle size did not increase with this later increase in yield, showing only significant changes after the extremely long total crystallization times. It is proposed that these extreme properties result from the formation in solution by mutarotation of the anomer ,-lactose, which inhibits nucleation as well as its previously observed influence on growth. © 2001 Wiley-Liss, Inc. and the American Pharmaceutical Association J Pharm Sci 90:823,832, 2001 [source] Crosslinking polymerization leading to interpenetrating polymer network formation.JOURNAL OF POLYMER SCIENCE (IN TWO SECTIONS), Issue 4 2003Abstract At the start of our research program concerned with the elucidation of the crosslinking polymerization mechanism leading to interpenetrating polymer network (IPN) formation, in which IPNs consist of both polymethacrylates and polyurethane (PU) networks, this article deals with the polyaddition crosslinking reaction leading to PU network formation. Therefore, 2-methacryloyloxyethyl isocyanate (MOI) was radically copolymerized with methyl methacrylate (MMA) in the presence of CBr4 as a chain-transfer agent. The resulting poly(MMA- co -MOI)s, having pendant isocyanate (NCO) groups as novel multifunctional polyisocyanates, were used for polyaddition crosslinking reactions with ethylene glycol as a typical diol. The second-order rate constants depended on both the functionality of poly(MMA- co -MOI) and the NCO group concentration. The actual gel points were compared with the theoretical ones calculated according to Macosko's equation; the deviation of the actual gel point from the theoretical value became more remarkable for a greater functionality of poly(MMA- co -MOI) and at a lower NCO group concentration or at a lower poly(MMA- co -MOI) concentration. These are discussed mechanistically, with consideration given to the significance of intramolecular cyclization and intramolecular crosslinking reactions leading to the shrinkage of the molecular size of the prepolymer, along with the data of the intrinsic viscosities of resulting prepolymers and the swelling ratios of resulting gels. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 606,615, 2003 [source] Effects of Thermal Annealing on the Structure of Ferroelectric Thin FilmsJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 4 2006Jiang-Li Cao The effects of thermal annealing on the structure of polycrystalline Pb(Zr0.3Ti0.7)O3 (PZT) ferroelectric thin films prepared by chemical solution deposition on Pt/TiOx electrode stacks were studied using scanning electron microscopy, transmission electron microscopy (TEM), and grazing incidence X-ray specular and diffuse reflectivity of synchrotron radiation. The stratified multilayered structure and element diffusions in the sample were characterized by TEM. Global statistical structural parameters including the density, surface or interface roughness and thickness of each layer in the samples were obtained from fitting the X-ray specular reflectivity using a homogeneous stratified multilayer model of PZT/Pt/TiOx/SiO2. The results showed that the PZT surface and PZT/Pt interface roughness changed slightly during thermal annealing in oxygen at 700°C. By contrast, the density increase of the PZT ceramic and density decrease of the Pt-bottom electrode during annealing were observed. A high density value of the PZT ceramic film after the annealing was found, up to 99.8% of the theoretical value of the corresponding bulk ceramics. The density changes of the PZT and Pt layers were further confirmed by X-ray diffuse reflectivity. The influences of the annealing treatment on the density changes of the PZT and Pt layers were attributed to the further densification of the PZT ceramic and incorporation of light elements such as Zr, Ti and O from the neighboring layers into the Pt layer, respectively, as discussed in correlation with the TEM analyses. [source] Correlation Between Microstructure and Creep Behavior in Liquid-Phase-Sintered ,-Silicon CarbideJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 3 2006M. Castillo-Rodríguez The influence of increasing the sintering time from 1 to 7 h on the microstructure evolution and the mechanical properties at high temperature was studied in ,-silicon carbide (,-SiC) sintered in argon atmosphere with Y2O3,Al2O3 (10% weight) as liquid phase (LPS-,-SiC). The density decreased from 98.8% to 94.9% of the theoretical value, the grain size increased from 0.64 to 1.61 ,m, and some of the grains became elongated. The compression tests were performed in argon atmosphere, between 1450°C and 1625°C and stresses between 25 and 450 MPa, with the strain rate being between 4.2 × 10,8 and 1.5 × 10,6 s,1. The stress exponent n and the activation energy Q were determined, finding values of n between 2.4±0.1 and 4.5±0.2 and Q=680±35 kJ/mol for samples sintered for 1 h, and n between 1.2±0.1 and 2.4±0.1 and Q=710±90 kJ/mol for samples sintered for 7 h. The correlation between these results and the microstructure indicates that grain-boundary sliding and the glide and climb of dislocations, both accommodated by bulk diffusion, may be two independent deformation mechanisms operating. At the temperatures of the tests, the existence of solid-state reactions between SiC and the sintering additives is responsible of the microstructural changes observed. These effects are not a consequence of the process of deformation, but rather they are because of the thermal treatment of the material during the creep. [source] Chemical Synthesis of Nanocrystalline Strontium Bismuth Tantalate Powders Using Tantalum,Tartarate ComplexJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 2 2006Asit Baran Panda Nanocrystalline strontium bismuth tantalate (SrBi2Ta2O9; SBT) powders have been synthesized through complete dehydration of an aqueous solution mixture of tantalum tartarate, strontium salt of ethylenediaminetetraacetic acid, and bismuth,triethanolamine complex. Single-step calcination of the fluffy, mesoporous, carbonaceous dehydrated precursor mass at 700°C/2 h results in nanosized SBT powders, with average particle size ,15 nm. When palletized and sintered at 950°C/4 h these powders show a relative density of 97.6% of theoretical value, and a maximum dielectric constant value of 1387 at Tc (Curie temperature)=279°C, when measured at 100 kHz. [source] Reaction Sintering and Mechanical Properties of Hydroxyapatite,Zirconia Composites with Calcium Fluoride AdditionsJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 6 2002Hae-Won Kim The effects of calcium fluoride (CaF2) additions on the densification and mechanical properties of hydroxyapatite,zirconia composites (HA,ZrO2) were investigated. When small amount of CaF2 was added, the density of the composites was markedly enhanced. The reactions of HA with CaF2, which led to the formation of fluorapatite (FA), were attributed to the observed improvements in densification. When HA,20-vol%-ZrO2 composites were sintered, with the addition of 5 vol% of CaF2, in air at 1300°C, the density of the specimen approached 98% of the theoretical value. The flexural strength and fracture toughness of the composites were also improved, as a result of the enhanced densification. [source] Evidence of Nearest-Neighbor Ordering in Wet-Processed Zirconia,Nickel CompositesJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 10 2001Carlos Pecharromán Monolithic zirconia,nickel (ZrO2/Ni) cermets have been prepared by a wet-processing method with nickel volume concentrations of 16%,40%. Microstructural analysis performed on scanning electron microscopy images has revealed evidence of a partial ordering of metallic particles inside the ceramic matrix. This ordering does not appear in mullite/molybdenum cermets. Complex impedance measurements have shown that the percolation threshold of ZrO2/Ni cermets appears at a filling factor (fc) of 0.34, exceeding the theoretical value (fc= 0.16), as a consequence of its microstructural order. Electrical measurements display the expected increase of capacity near the percolation threshold. These results open the possibility to design new devices with the appealing electric, magnetic, and mechanical properties that are predicted by the percolation theory. [source] Pressureless Sintering and Properties of Titanium Diboride Ceramics Containing Chromium and IronJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 4 2001Shin H. Kang The simultaneous addition of 0.5 wt% Cr and Fe was found to enhance the densification of TiB2. The densities of specimens that were sintered for 2 h at 1800° and 1900°C were 97.6% and 98.8% of the theoretical value, respectively. The mechanical properties of the specimen sintered at 1800°C, which had a strength of 506 MPa and a fracture toughness of 6.16 MPa·m1/2, were much better than those observed in the specimen sintered at 1900°C. [source] One-bond 13C,13C coupling constants in alkyl-substituted cyclopropenes: experimental and theoretical studies,MAGNETIC RESONANCE IN CHEMISTRY, Issue 10 2002Krystyna Kamie, ska-Trela Abstract Measurements of one-bond carbon,carbon coupling constants, 1J(C, C), were performed for two series of compounds, alkyl-substituted cyclopropenes and cyclopropanes. The experimental data were complemented by a set of DFT-calculated J couplings for the parent cyclopropene (1), its methyl and silyl derivatives and, additionally, for 1-methylcyclobutene (3), 1-methylcyclopentene (4) and 1-methylcyclohexene (5) and good agreement was observed between the experimental and the calculated data; all the trends are perfectly maintained, including a dramatic decrease in the couplings across endocyclic single bonds in cyclopropene and its derivatives, and a significant decrease in the corresponding couplings in cyclobutene. Using the data obtained, the s characters of the carbon hybrid orbitals involved in the formation of the cyclopropene were calculated. The results clearly show that the ring closure and the related strain exerted upon the cyclopropene molecule only slightly disturb the electron structure of the double bond. The s character of the corresponding carbon orbital is 0.314 in cyclopropene vs the theoretical value of 0.333 in ethene. This is at variance with the endo- and exocyclic single bonds, where the s characters of the orbitals forming the endocyclic single bonds are much smaller than those of the bonds in the open-chain compounds, i.e. 0.229 (C-1 and/or C-2) and 0.166 (C-3). The s values calculated for the exocyclic CH bonds are 0.334 for C-3 and 0.456 for C-1 and/or C-2. Copyright © 2002 John Wiley & Sons, Ltd. [source] Automated binning of microsatellite alleles: problems and solutionsMOLECULAR ECOLOGY RESOURCES, Issue 1 2007W. AMOS Abstract As genotyping methods move ever closer to full automation, care must be taken to ensure that there is no equivalent rise in allele-calling error rates. One clear source of error lies with how raw allele lengths are converted into allele classes, a process referred to as binning. Standard automated approaches usually assume collinearity between expected and measured fragment length. Unfortunately, such collinearity is often only approximate, with the consequence that alleles do not conform to a perfect 2-, 3- or 4-base-pair periodicity. To account for these problems, we introduce a method that allows repeat units to be fractionally shorter or longer than their theoretical value. Tested on a large human data set, our algorithm performs well over a wide range of dinucleotide repeat loci. The size of the problem caused by sticking to whole numbers of bases is indicated by the fact that the effective repeat length was within 5% of the assumed length only 68.3% of the time. [source] Lactate efflux and the neuroenergetic basis of brain functionNMR IN BIOMEDICINE, Issue 7-8 2001Robert G. Shulman Abstract In the unstimulated brain energy is primarily supplied by the oxidation of glucose. However the oxygen-to-glucose index (OGI), which is the ratio of metabolic rates of oxygen to glucose, CMRO2/CMRglc, diverges from the theoretical value of 6 as activity is increased. In vivo measurements of brain lactate show its concentration to increase with stimulation. The decreasing OGI with stimulation had led to the suggestion that activation, unlike resting activity, is supported by anaerobic glycolysis. To date a unifying concept that accommodates glucose oxidation at rest with lactate generation and OGI decrease during stimulation of brain is lacking. Furthermore, energetics that change with increasing activity are not consistent with a neuroenergetic model that has been proposed from 1- 13C-glucose MRS experiments. That model, based upon in vivo MRS measurements and cellular studies by Pellerin and Magistretti, showed that glutamate neurotransmitter cycling was coupled to glucose oxidation over a wide range of brain activities from rest down to deep anesthesia. Here we reconcile these paradoxical observations by suggesting that anaerobic glucose consumption (which can provide energy rapidly) increases with activation to meet the power requirements of millisecond neuronal firing. It is proposed, in accord with our neuroenergetic model, that the extra glucose mobilized rapidly for glial clearance of glutamate, is not needed for the oxidative processes that are responsible for neuronal firing and glutamate release, and consequently it is effluxed as lactate. A stoichiometric relation between OGI and lactate concentration is derived from the neuroenergetic model, showing that the enhanced glucose uptake during activation is consistent with neuronal activity being energetically supported by glucose oxidation. Copyright © 2001 John Wiley & Sons, Ltd. [source] Mammalian reovirus core protein,µ2 initiates at the first start codon and is acetylatedRAPID COMMUNICATIONS IN MASS SPECTROMETRY, Issue 24 2002Magdalena I. Swanson Mammalian reovirus is an enteric virus that contains a double-stranded RNA genome. The genome consists of ten RNA segments that encode eight structural and three non-structural proteins. The structural proteins form a double-layered structure. The innermost layer, called the core, consists of five proteins (,1, ,2, ,3, µ2, and ,2). Protein ,3 is the RNA-dependent RNA polymerase (RdRp) and µ2 is thought to be an RdRp cofactor. Translation of most reovirus proteins is known to commence at the first start codon. However, the translation initiation site of the viral core protein,µ2, encoded by the M1 RNA segment, has been in dispute. Although the theoretical molecular weight of µ2 is 83 267,Da the actual molecular weight is unknown because,µ2 runs aberrantly in SDS-PAGE and has resisted characterization by Edman degradation, indicating that the amino terminus is post-translationally modified. In this study, we used proteolysis coupled with MALDI-Qq-TOFMS to determine that translation of µ2 initiates at the first AUG codon, that its actual molecular weight approximates the theoretical value of 83,kDa, that the amino terminal methionine residue is removed, and that the next amino acid (alanine) is post-translationally acetylated. Copyright © 2002 John Wiley & Sons, Ltd. [source] Rapid and simple method for determination of N, -(carboxymethyl)lysine and N, -(carboxyethyl)lysine in urine using gas chromatography[sol ]mass spectrometryBIOMEDICAL CHROMATOGRAPHY, Issue 9 2005Robert Petrovi Abstract A new procedure was developed to determine in urine the concentrations of N, -(carboxymethyl)lysine (CML) and N, -(carboxyethyl)lysine (CEL), the major products of oxidative modification of glycated proteins, to assess levels of oxidative stress in physiological systems. The urine samples were acetonitrile-deproteinized, then derivatized by ethylchloroformate, and N(O,S)-ethoxycarbonyl ethyl esters of amino acids were analysed by isotope dilution gas chromatography[sol ]mass spectrometry. Recovery averaged 89%. Linearity was excellent (r = 0.998,0.999) in the 0.5,25 µmol[sol ]L range for CML and CEL. The limit of detection of this assay was 0.1 µmol[sol ]L (corresponding to 0.20 pmol of CML or CEL on column). Intra-day and inter-day precisions were likewise excellent, with relative standard deviations <4.63 and <6.15%, respectively. Accuracy of CML and CEL determination (15 µmol[sol ]L) was 2.9 and 5.9% of the estimated theoretical value. The time from obtaining the urine sample to determination of the concentration from the chromatographic peak was 80 min or less. This method is sensitive, reproducible, accurate, relatively cheap and very simple. It can be useful for laboratories involved in the diagnosis and monitoring of age-related chronic diseases. Copyright © 2005 John Wiley & Sons, Ltd. [source] A rapid and simple method for determination of halothane, iso,urane and sevo,urane in blood using gas chromatographyBIOMEDICAL CHROMATOGRAPHY, Issue 9 2004Richard J. Atherley Abstract We have developed a technique to determine the concentration of volatile anesthetics (halothane, iso,urane and sevo,urane) in blood that is a modi,cation of a method used for volatile anesthetics in Krebs solution. Methylene chloride was the internal standard and chloroform was used to extract the volatile anesthetic from blood. The congealed blood proteins were separated from the chloroform solvent (containing anesthetic) using a two-compartment vial that ,ltered out the proteinaceous material during centrifuging. Recovery averaged 102%. Linearity was excellent (r = 0.992,0.999) in the 50,600, 50,300 and 50,300 µg/mL range for halothane, iso,urane and sevo,urane, respectively. Intra-day and inter-day precisions were likewise excellent, with relative standard deviations <5.3 and <7.1%, respectively. Accuracy ranged from 0.8 to 9.5% of the estimated theoretical value. Extracted anesthetic in chloroform solvent was stable over 4,5 days, with <3% variability. The time from obtaining the blood sample to determination of the concentration from the chromatographic peak was 15 min or less. Copyright © 2004 John Wiley & Sons, Ltd. [source] Effects of excluded volume and polydispersity on solution properties of lentinan in 0.1 M NaOH solution,BIOPOLYMERS, Issue 4 2005Xufeng Zhang Abstract Seven lentinan fractions of various weight-average molecular weights (Mw), ranging from 1.45 × 105 to 1.13 × 106 g mol,1 were investigated by static light scattering and viscometry in 0.1M NaOH solution at 25°C. The intrinsic viscosity [,] , Mw and radius of gyration ,s2, , Mw relationships for lentinan in 0.1M NaOH solution were found to be represented by [,] = 5.1 × 10,3M cm3 g,1 and ,s2, = 2.3 × 10,1M nm, respectively. Focusing on the effects of the Mw polydispersity with the Schulz,Zimm distribution function, the data of Mw, ,s2,, and [,] was analyzed on the basis of the Yoshizaki,Nitta,Yamakawa theory for the unperturbed helical wormlike chain combined with the quasi-two-parameter (QTP) theory for excluded-volume effects. The persistence length, molecular weight per unit contour length, and the excluded-volume strength were determined roughly to be 6.2 nm, 980 nm,1, and 0.1, respectively. Compared with the theoretical value calculated by the Monte Carlo model, the persistence length is longer than that of the single (1 , 3)-,- D -glucan chain. The results revealed that lentinan exists as single-stranded flexible chains in 0.1M NaOH solution with a certain degree of expansion due to the electrostatic repulsion from the interaction between the OH, anions and lentinan molecules. © 2005 Wiley Periodicals, Inc. Biopolymers 78: 187,196, 2005 [source] A hidden square-root boundary between growth rate and biomass yieldBIOTECHNOLOGY & BIOENGINEERING, Issue 1 2009Wilson W. Wong Abstract Although the theoretical value of biomass yield can be calculated from metabolic network stoichiometry, the growth rate is difficult to predict. Since the rate and yield can vary independently, no simple relationship has been discovered between these two variables. In this work, we analyzed the well-accepted enzyme kinetics and uncovered a hidden boundary for growth rate, which is determined by the square-root of three physiological parameters: biomass yield, the substrate turnover number, and the maximum synthesis rate of the turnover enzyme. Cells cannot grow faster than the square-root of the product of these parameters. This analysis is supported by experimental data and involves essentially no assumptions except (i) the cell is not undergoing a downshift transition, (ii) substrate uptake enzyme activity is proportional to its copy number. This simple boundary (not correlation) has escaped notice for many decades and suggests that the yield calculation does not predict the growth rate, but gives an upper limit for the growth rate. The relationship also explains how growth rate is affected by the yield and sheds lights on strain design for product formation. Biotechnol. Bioeng. 2009;102: 73,80. © 2008 Wiley Periodicals, Inc. [source] Enhanced arsenic accumulation by engineered yeast cells expressing Arabidopsis thaliana phytochelatin synthase,BIOTECHNOLOGY & BIOENGINEERING, Issue 2 2008Shailendra Singh Abstract Phytochelatins (PCs) are naturally occurring peptides with high-binding capabilities for a wide range of heavy metals including arsenic (As). PCs are enzymatically synthesized by phytochelatin synthases and contain a (,-Glu-Cys)n moiety terminated by a Gly residue that makes them relatively proteolysis resistant. In this study, PCs were introduced by expressing Arabidopsis thaliana Phytochelatin Synthase (AtPCS) in the yeast Saccharomyces cerevisiae for enhanced As accumulation and removal. PCs production in yeast resulted in six times higher As accumulation as compared to the control strain under a wide range of As concentrations. For the high-arsenic concentration, PCs production led to a substantial decrease in levels of PC precursors such as glutathione (GSH) and ,-glutamyl cysteine (,-EC). The levels of As(III) accumulation were found to be similar between AtPCS-expressing wild type strain and AtPCS-expressing acr3, strain lacking the arsenic efflux system, suggesting that the arsenic uptake may become limiting. This is further supported by the roughly 1:3 stoichiometric ratio between arsenic and PC2 (n,=,2) level (comparing with a theoretical value of 1:2), indicating an excess availability of PCs inside the cells. However, at lower As(III) concentration, PC production became limiting and an additive effect on arsenic accumulation was observed for strain lacking the efflux system. More importantly, even resting cells expressing AtPCS pre-cultured in Zn2+ enriched media showed PCs production and two times higher arsenic removal than the control strain. These results open up the possibility of using cells expressing AtPCS as an inexpensive sorbent for the removal of toxic arsenic. Biotechnol. Bioeng. 2008;99: 333,340. © 2007 Wiley Periodicals, Inc. [source] Analysis of Karst Tufa from Guangxi, ChinaACTA GEOLOGICA SINICA (ENGLISH EDITION), Issue 2 2003-BILINSKI, Stanislav FRAN Abstract The paper presents an analysis of characteristic karst tufa from Guangxi, China, which has not been studied before. A comparison with tufa from Dinaric Karst of Croatia is discussed in view of the C-type climate. The major mineral is calcite. Minor minerals are quartz and dolomite, depending on location. The content of calcium carbonate varies from 65% to 92%, and that of magnesium carbonate from 0.03% to 1.77%. Among other elements, the most abundant are Fe, from 0.02% to 1.50%, and Ti, from 0.15% to 0.27%. Many other trace elements (V, Cr, Mn, Ni, Cu, Zn, As, Se, Br, Rb, Sr, Y, Zr, Hg and Pb) are also present. Specific activity of radionuclides 4 40K, 232Th, 137Cs, 226Ra and 238U varies from sample to sample. Concentration of U in tufa is close to that reported for sedimentary carbonate. Low concentration of 137Cs indicates that this part of the world was not exposed to nuclear explosions. The concentration of 226Ra is the highest in Mashan County. The ratio 238U/226Ra (0.21,0.71) in tufa from Mashan County is significantly lower than the theoretical value of 1. In 5 of the 11 studied samples, stable isotopes ,13C and ,18O were analyzed. They were dated by means of the 14C method. One tufa sample originated in the Pleistocene and the others in the Holocene. Because all of the tufa samples contain traces of Na and K, and K < Na, the tufa from Guangxi belong to the CO2 -outgassing "N" type according to the classification of Liu and He (1994). [source] 2321: Retinal vessel diameter affects oxygen saturation measurementsACTA OPHTHALMOLOGICA, Issue 2010SH HARDARSON Purpose To test whether retinal vessel oxygen saturation measurements are affected by vessel diameter and to compare saturation between the temporal and nasal retina. Methods The Oxymap retinal oximeter is based on a fundus camera. It measures light absorbance at two wavelengths of light and calculates oxygen saturation in retinal vessels as well as vessel diameter. Measurements were performed on 12 healthy individuals. The effect of vessel diameter on saturation measurements was tested by measuring before and after the first bifurcation in the retina (1st degree parent vessels and 2nd degree daughter vessels). Arteriolar saturation can be assumed to be equal before and after bifurcation. Results The ratio between oxygen saturation in 1st degree parent arteriole and 2nd degree daughter arteriole was 0.97±0.02 (mean±SD). The ratio was significantly lower than the theoretical value of 1.00 (p<0.001, n=12) The corresponding ratio for venules was 0.90±0.04 (p<0.001). Oxygen saturation was 94±6% in 1st degree superotemporal arterioles and 99±6% in superonasal arterioles (p=0.057). Oxygen saturation in inferotemporal arterioles was 89±6% and 95±4% in inferonasal arterioles (p=0.009). There was no significant difference in venous saturation between temporal and nasal quadrants. Conclusion Measured oxygen saturation is lower in 1st degree parent vessels than in their 2nd degree daughter branches. This indicates that retinal vessel diameter affects oxygen saturation measurements. The higher measured saturation in the nasal arterioles, compared to temporal arterioles, may also be due to the fact that the nasal vessels are narrower. A correction for the effect of vessel diameter should be incorporated into oxygen saturation measurements. Commercial interest [source] Synthesis and Properties of DNA Complexes Containing 2,2,6,6-Tetramethyl-1-piperidinoxy (TEMPO) Moieties as Organic Radical Battery MaterialsCHEMISTRY - A EUROPEAN JOURNAL, Issue 11 2008Jinqing Qu Dr. Abstract We report here the first example of organic radical battery with DNA. Though there is a growing interest in DNA/cationic-lipid complexes as promising gene delivery vehicles, few efforts have been focused on the use of such complexes as advanced materials for organic optoelectronic applications. The present article describes how substitution of the sodium counter cation of DNA with cationic amphiphilic lipid(1,4) provided novel DNA,lipid complexes that contain TEMPO radicals, in which the actual mole ratio of phosphate to lipid was 1:0.84 to 1:0.16. All the TEMPO-containing DNA,lipid complexes displayed reversible two-stage charge/discharge processes, the discharge capacities of which were 40.5,60.0,A,h,kg,1. In particular, the capacity of a DNA,lipid(3)-based cell reached 60.0,A,h,kg,1, which corresponds to 192,% relative to its theoretical value for the single-electron one-stage process, indicating a two-electron process. [source] | ||||||||||||||||||||||||||||||||||||||||