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Quantitative Understanding (quantitative + understanding)
Selected AbstractsRefractive Index Drop Observed After Precision Molding of Optical Elements: A Quantitative Understanding Based on the Tool,Narayanaswamy,Moynihan ModelJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 3 2008Ulrich Fotheringham The room-temperature refractive index is measured for three different prior cooling rates (approximately 10, 50, and 250 K/h) for two glasses especially developed for precision molding. The empirical logarithmic relationship between the cooling rate and the refractive index is also reproduced for the comparatively high cooling rate of ca. 250 K/h. The same relationship is found in a simulation of these cooling rates by the semiempirical Tool,Narayanaswamy,Moynihan model for structural relaxation, with the necessary parameters obtained from differential scanning calorimetry and temperature jump experiments. The measured and the simulated refractive indices coincide within the limits of experimental error. The results demonstrate that the index drop, which is observed when these glasses are first cooled at a regular optical cooling rate (e.g., 2 K/h), and then precision molded (typical cooling rate 1000 K/h), can be understood considering the concepts of structural relaxation. [source] The long-term fate of polychlorinated biphenyls in San Francisco Bay (USA)ENVIRONMENTAL TOXICOLOGY & CHEMISTRY, Issue 10 2004Jay A. Davis Abstract A simple one-box mass budget model is presented as a first step toward a quantitative understanding of the long-term fate of polychlorinated biphenyls (PCBs) in San Francisco Bay (USA). Sensitivity analysis indicated that the most influential input parameters were degradation half-life in sediment, Kow, outflow, average PCB concentration in sediment, and depth of the active sediment layer. Moderately influential parameters included organic carbon content of suspended solids, sediment burial mass transfer coefficient, and Henry's law constant. If external loading could be eliminated entirely, the mass of PCBs in the bay is predicted to drop to half of the present value in 20 years. The model predicts that sustained loading of 10 kg year,1 would prevent the total PCB mass in the bay from ever dropping below 10% of the present mass. With a sustained loading of 20 kg year,1, the model predicts that the total PCB mass would never fall below about 25% of the present mass. The half-lives in the bay for the individual PCB congeners evaluated in this report ranged from four years for PCB 18 to 30 years for PCB 194. [source] Mechanism of Hydride Abstraction by Cyclopentadienone-Ligated Carbonylmetal Complexes (M = Ru, Fe)EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 2 2009Megan K. Thorson Abstract Cyclopentadienone-ligated ruthenium complexes, such as Shvo's catalyst, are known to oxidize reversibly alcohols to the corresponding carbonyl compounds. The mechanism of this reaction has been the subject of some controversy, but it is generally believed to proceed through concerted transfer of proton and hydride, respectively, to the cyclopentadienone ligand and the ruthenium center. In this paper we further study the hydride transfer process as an example of a coordinatively directed hydride abstraction by adding quantitative understanding to some features of this mechanism that are not well understood. We find that an oxidant as weak as acetone can be used to re-oxidize the intermediate ruthenium hydride without catalyst re-oxidation becoming rate-limiting. Furthermore, C,H cleavage is a significantly electrophilic event, as demonstrated by a Hammett reaction parameter of , = ,0.89. We then describe how the application of our mechanistic insights obtained from the study have enabled us to extend the ligand-directed hydride abstraction strategy to include a rare example of an iron(0) oxidation catalyst.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009) [source] ENVIRONMENTAL CONDITIONS AFFECT THE MAGNITUDE OF INBREEDING DEPRESSION IN SURVIVAL OF DARWIN'S FINCHESEVOLUTION, Issue 6 2002Lukas F. Keller Abstract Understanding the fitness consequences of inbreeding (inbreeding depression) is of importance to evolutionary and conservation biology. There is ample evidence for inbreeding depression in captivity, and data from wild populations are accumulating. However, we still lack a good quantitative understanding of inbreeding depression and what influences its magnitude in natural populations. Specifically, the relationship between the magnitude of inbreeding depression and environmental severity is unclear. We quantified inbreeding depression in survival and reproduction in populations of cactus finches (Geospiza scandens) and medium ground finches (Geospiza fortis) living on Isla Daphne Major in the Galapagos Archipelago. Our analyses showed that inbreeding strongly reduced the recruitment probability (probability of breeding given that an adult is alive) in both species. Additionally, in G. scandens, first-year survival of an offspring withf= 0.25 was reduced by 21% and adults withf= 0.25 experienced a 45% reduction in their annual probability of survival. The magnitude of inbreeding depression in both adult and juvenile survival of this species was strongly modified by two environmental conditions, food availability and number of competitors. In juveniles, inbreeding depression was only present in years with low food availability, and in adults inbreeding depression was five times more severe in years with low food availability and large population sizes. The combination of relatively severe inbreeding depression in survival and the reduced recruitment probability led to the fact that very few inbred G. scandens ever succeeded in breeding. Other than recruitment probability, no other trait showed evidence of inbreeding depression in G. fortis, probably for two reasons: a relatively high rate of extrapair paternity (20%), which may lead to an underestimate of the apparent inbreeding depression, and low sample sizes of highly inbred G. fortis, which leads to low statistical power. Using data from juvenile survival, we estimated the number of lethal equivalents carried by G. scandens, G. fortis, and another congener, G. magnirostris. These results suggest that substantial inbreeding depression can exist in insular populations of birds, and that the magnitude of the inbreeding depression is a function of environmental conditions. [source] Origin of Radiation-Induced Degradation in Polymer Solar CellsADVANCED FUNCTIONAL MATERIALS, Issue 16 2010Ankit Kumar Abstract Polymer solar cells have been shown to degrade under X-rays. Here, in situ polymer photovoltaic performance and recombination lifetimes are measured and it is found that charge accumulation is the primary reason for degradation of solar cells. This is affected by the mixing ratio of donor and acceptor in the bulk heterojunction. Both a quantitative understanding and the physical model of the degradation mechanism are presented. Understanding of the degradation mechanism is extended in polymer donor,acceptor bulk heterojunction systems to propose a material combination for making radiation hard diodes that can find important application in fields ranging from memory arrays to organic X-ray detectors for medical imaging. [source] Characterization of Taylor vortex flow in a short liquid columnAICHE JOURNAL, Issue 12 2009Rensheng Deng Abstract We present a study on Taylor vortex flow in the annulus between a rotating inner cylinder and a stationary outer cylinder, featured with a wide gap (radius ratio is 0.613) and a short column (aspect ratio is 5.17). A particle image velocimetry (PIV) system was used to determine the position, shape, and velocity distribution of the vortices, by which the flow was also confirmed to lie in the nonwavy Taylor vortex regime for all operating conditions explored in this study. Our results suggest that end boundary effects are important, in which the vortex number decreases with decreasing column length. For a system with an aspect ratio of 5.17, six vortices appear in the gap with their position, size, and shape varying at different Reynolds numbers. The fluid velocities show an asymmetric feature with respect to the vortex centers, while the maximum axial and radial velocities increase almost linearly with the increasing reduced Reynolds number (Re , Rec). In addition, computational fluid dynamics study was employed under the same conditions, and its results agree well with the PIV measurements. Overall, this study provides a quantitative understanding of the formation of Taylor vortices in a constrained space. © 2009 American Institute of Chemical Engineers AIChE J, 2009 [source] Liposome transport of hydrophobic drugs: Gel phase lipid bilayer permeability and partitioning of the lactone form of a hydrophobic camptothecin, DB-67JOURNAL OF PHARMACEUTICAL SCIENCES, Issue 1 2008Vijay Joguparthi Abstract The design of liposomal delivery systems for hydrophobic drug molecules having improved encapsulation efficiency and enhanced drug retention would be highly desirable. Unfortunately, the poor aqueous solubility and high membrane binding affinity of hydrophobic drugs necessitates extensive validation of experimental methods to determine both liposome loading and permeability and thus the development of a quantitative understanding of the factors governing the encapsulation and retention/release of such compounds has been slow. This report describes an efflux transport method using dynamic dialysis to study the liposomal membrane permeability of hydrophobic compounds. A mathematical model has been developed to calculate liposomal membrane permeability coefficients of hydrophobic compounds from dynamic dialysis experiments and partitioning experiments using equilibrium dialysis. Also reported is a simple method to study the release kinetics of liposome encapsulated camptothecin lactone in plasma by comparing the hydrolysis kinetics of liposome entrapped versus free drug. DB-67, a novel hydrophobic camptothecin analogue has been used as a model permeant to validate these methods. Theoretical estimates of DB-67 permeability obtained from the bulk solubility diffusion model and the "barrier-domain" solubility diffusion model are compared to the experimentally observed value. The use of dynamic dialysis in drug release studies of liposome and other nanoparticle formulations is further discussed and experimental artifacts that can arise without adequate validation are illustrated through simulations. © 2007 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 97:400,420, 2008 [source] A finite element-based approach for whole-system simulation of packaging systems for their improved design and operationPACKAGING TECHNOLOGY AND SCIENCE, Issue 4 2009Ben James Hicks Abstract The introduction of legislation to minimize packaging waste requires consumer goods manufacturers to use lighter-weight materials and increase the use of recycled materials. This is demanding that machinery manufacturers provide highly flexible machines and tooling capable of handling these materials and new package designs. However, the ability of manufacturers to achieve this is all but prevented by a lack of fundamental understanding of machine,material interactions and an ability to generate such understanding. One way to overcome this is to use advanced simulation tools to represent the whole system including machine, process, materials and product. A finite element-based simulation has been created to represent the in-process behaviour of a packing system. The simulation focuses on the critical transition between flattened and erected states of a carton. In order to successfully simulate such a complex process, there are a number of major challenges concerning the representation of packaging materials and their properties, changing material behaviour during processing, machinery simulation and process modelling (simulating the interfacial interactions that take place during processing). The application of the whole-system simulation for the purposes of improved design and operation are discussed with respect to four activities: design and set-up of tooling, determination of optimal process settings, specification of material properties and the design of the pack. In all cases, a strong correlation was observed between the theoretical results and those obtained practically, thereby enabling quantitative understanding and quantitative rules to be generated. Copyright © 2009 John Wiley & Sons, Ltd. [source] Silicon-on-insulator based thin film resistors for quantitative biosensing applicationsPHYSICA STATUS SOLIDI (A) APPLICATIONS AND MATERIALS SCIENCE, Issue 14 2006Petra A. Neff Abstract Field-effect based semiconductor devices for the label-free detection of molecular interactions represent a promising development for biosensor applications. Recently, several such devices have been presented for the direct electrical detection of nucleic acids and proteins. However, a detailed and quantitative understanding of experimental observations is still elusive in most cases. Here we employ a recently introduced Silicon-on-Insulator (SOI) based field-effect sensor for the label-free detection of molecules by their intrinsic charge. We present a theoretical description for the quantitative analysis of the sensor response. A capacitor model was developed which accounts for dielectric effects as well as for Debye screening by mobile ions within the layers of molecules bound to the surface. We successfully applied the model to the detection of charged peptides and multilayers at the functionalized sensor surfaces. The electrical detection of the adsorption of bovine serum albumin (BSA) to the sensor surface is demonstrated and can be explained in terms of a dipolar orientation of the bound molecules. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] The multidimensionality of cell behaviors underlying morphogenesis: a case study in ascidiansBIOESSAYS, Issue 9 2006Anna Di Gregorio Databases where different types of information from different sources can be integrated, cross-referenced and interactively accessed are necessary for building a quantitative understanding of the molecular and cell biology intrinsic to the morphogenesis of an embryo. Tassy and colleagues1 recently reported the development of software tailor-made to perform such a task, along with the generation and integration of three-dimensional anatomical models of embryos. They convincingly illustrated the utility of their approach by applying it to the early ascidian embryo. BioEssays 28: 874,879, 2006. © 2006 Wiley periodicals, Inc. [source] Mathematical model of the rate-limiting steps for retrovirus-mediated gene transfer into mammalian cellsBIOTECHNOLOGY & BIOENGINEERING, Issue 1 2010Venkata S. Tayi Abstract A quantitative understanding of the process of retrovirus-mediated gene transfer into mammalian cells should assist the design and optimization of transduction protocols. We present a mathematical model of the process that incorporates the essential rate-limiting transduction steps including diffusion, convection and decay of viral vectors, their binding at the cell surface and entry into the cell cytoplasm, reverse transcription of uncoated RNA to form DNA intermediates, transport of the latter through the cytosol to the cell nucleus and, finally, nuclear import and integration of the delivered DNA into the target cell genome. Cell and virus population balances are used to account for the kinetics of multiple vector infections which influence the transduction efficiency and govern the integrated copy number. The mathematical model is validated using gibbon ape leukemia virus envelope pseudotyped retroviral vectors and K562 target cells. Viral intermediate complexes derived from the internalized retroviral vectors are found to remain stable inside the K562 cells and the cytoplasmic trafficking time is consistent with the time scale for retrovirus uncoating, reverse transcription and transport to the cell nucleus. The model predictions of transduction efficiency and integrated copy number agree well with experimental data for both static (i.e., standard gravity) and centrifugation-based gene transfer protocols. The formulation of the model can also be applied to transduction protocols involving lenti- or foamy-viruses and so should prove to be useful for the optimization of several types of gene transfer processes. Biotechnol. Bioeng. 2010;105: 195,209. © 2009 Wiley Periodicals, Inc. [source] Ultrafiltration characteristics of pegylated proteinsBIOTECHNOLOGY & BIOENGINEERING, Issue 3 2006Jessica R. Molek Abstract There is growing clinical interest in the use of pegylated recombinant proteins with enhanced stability, half-life, and bioavailability. The objective of this study was to develop a quantitative understanding of the ultrafiltration characteristics of a series of pegylated proteins with different degrees of pegylation. Sieving data were compared with available theoretical models and with corresponding results for the partition coefficient in size exclusion chromatography (SEC). The sieving coefficients of the pegylated proteins depended not only on the protein size and the total molecular weight of the polyethylene glycol (PEG) but also on the number of PEG chains. This is in sharp contrast to the partition coefficient in SEC, which was uniquely determined by the total molecular weight of the PEG and protein. This difference is due to the deformation and/or elongation of the PEG chains caused by the convective flow into the membrane pores, an effect that is not present in SEC. These results provide important insights into the transport and separation characteristics of pegylated proteins. © 2006 Wiley Periodicals, Inc. [source] In vivo confocal microscopy of the bulbar conjunctivaCLINICAL & EXPERIMENTAL OPHTHALMOLOGY, Issue 4 2009Nathan Efron PhD DSc Abstract Background:, The aim of this work is to develop a more complete qualitative and quantitative understanding of the in vivo histology of the human bulbar conjunctiva. Methods:, Laser scanning confocal microscopy (LSCM) was used to observe and measure morphological characteristics of the bulbar conjunctiva of 11 healthy human volunteer subjects. Results:, The superficial epithelial layer of the bulbar conjunctiva is seen as a mass of small cell nuclei. Cell borders are sometimes visible. The light grey borders of basal epithelial cells are clearly visible, but nuclei can not be seen. The conjunctival stroma is comprised of a dense meshwork of white fibres, through which traverse blood vessels containing cellular elements. Orifices at the epithelial surface may represent goblet cells that have opened and expelled their contents. Goblet cells are also observed in the deeper epithelial layers, as well as conjunctival microcysts and mature forms of Langerhans cells. The bulbar conjunctiva has a mean thickness of 32.9 ± 1.1 µm, and a superficial and basal epithelial cell density of 2212 ± 782 and 2368 ± 741 cells/mm2, respectively. Overall goblet and mature Langerhans cell densities are 111 ± 58 and 23 ± 25 cells/mm2, respectively. Conclusions:, LSCM is a powerful technique for studying the human bulbar conjunctiva in vivo and quantifying key aspects of cell morphology. The observations presented here may serve as a useful marker against which changes in conjunctival morphology due to disease, surgery, drug therapy or contact lens wear can be assessed. [source] | ||||||||||||||||