cssi/SciSciGPT-SciSciNet huggingface dataset:
Validation of the 4D NCAT simulation tools for use in high-resolution x-ray CT research

We validate the computer-based simulation tools developed in our laboratory for use in high-resolution CT research. The 4D NURBS-based cardiac-torso (NCAT) phantom was developed to provide a realistic and flexible model of the human anatomy and physiology. Unlike current phantoms in CT, the 4D NCAT has the advantage, due to its design, that its organ shapes can be changed to realistically model anatomical variations and patient motion. To efficiently simulate high-resolution CT images, we developed a unique analytic projection algorithm (including scatter and quantum noise) to accurately calculate projections directly from the surface definition of the phantom given parameters defining the CT scanner and geometry. The projection data are reconstructed into CT images using algorithms developed in our laboratory. The 4D NCAT phantom contains a level of detail that is close to impossible to produce in a physical test object. We, therefore, validate our CT simulation tools and methods through a series of direct comparisons with data obtained experimentally using existing, simple physical phantoms at different doses and using different x-ray energy spectra. In each case, the first-order simulations were found to produce comparable results (<12%). We reason that since the simulations produced equivalent results using simple test objects, they should be able to do the same in more anatomically realistic conditions. We conclude that, with the ability to provide realistic simulated CT image data close to that from actual patients, the simulation tools developed in this work will have applications in a broad range of CT imaging research.
Quantitative slope aspect determination

Abstract A rapid and efficient method is described for quantifying slope exposure using only a T-square and triangle on a topographic map. Results of aspect determination using this technique on a small Wisconsin watershed are compared with those obtained by point sampling. Since the proposed method accurately defines the boundaries between aspect units, and requires less than one-third the time, it has distinct advantages over point sampling, which can erroneously define the boundaries. Proposed use of this method is to derive aspect parameters for a watershed evapotranspiration model.
Increased survival of western corn rootworm on transgenic corn within three generations of on-plant greenhouse selection

To delay evolution of insect resistance to transgenic crops producing Bacillus thuringiensis (Bt) toxins, nearby "refuges" of host plants not producing Bt toxins are required in many regions. Such refuges are expected to be most effective in slowing resistance when the toxin concentration in Bt crops is high enough to kill all or nearly all insects heterozygous for resistance. However, Bt corn, Zea mays, introduced recently does not meet this "high-dose" criterion for control of western corn rootworm (WCR), Diabrotica virgifera virgifera. A greenhouse method of rearing WCR on transgenic corn expressing the Cry3Bb1 protein was used in which approximately 25% of previously unexposed larvae survived relative to isoline survival (compared to 1-4% in the field). After three generations of full larval rearing on Bt corn (Constant-exposure colony), WCR larval survival was equivalent on Bt corn and isoline corn in greenhouse trials, and the LC(50) was 22-fold greater for the Constant-exposure colony than for the Control colony in diet bioassays with Cry3Bb1 protein on artificial diet. After six generations of greenhouse selection, the ratio of larval recovery on Bt corn to isoline corn in the field was 11.7-fold greater for the Constant-exposure colony than the Control colony. Removal from selection for six generations did not decrease survival on Bt corn in the greenhouse. The results suggest that rapid response to selection is possible in the absence of mating with unexposed beetles, emphasizing the importance of effective refuges for resistance management.
Biochemical characterization of the chondroitinase ABC I active site.

cABC I (chondroitinase ABC I) from Proteus vulgaris is a GalAG (galactosaminoglycan) depolymerizing lyase that cleaves its substrates at the glycosidic bond via β-elimination. cABC I cleaves a particularly broad range of GalAG substrates, including CS (chondroitin sulphate), DS (dermatan sulphate) and hyaluronic acid. We recently cloned and recombinantly expressed cABC I in Escherichia coli, and completed a preliminary biochemical characterization of the enzyme. In the present study, we have coupled site-directed mutagenesis of the recombinant cABC I with a structural model of the enzyme–substrate complex in order to investigate in detail the roles of active site amino acids in the catalytic action of the enzyme. The putative catalytic residues His-501, Tyr-508, Arg-560 and Glu-653 were probed systematically via mutagenesis. Assessment of these mutants in kinetic and end-point assays provided direct evidence on the catalytic roles of these active-site residues. The crystal structure of the native enzyme provided a framework for molecular docking of representative CS and DS substrates. This enabled us to construct recombinant enzyme–substrate structural complexes. These studies together provided structural insights into the effects of the mutations on the catalytic mechanism of cABC I and the differences in its processing of CS and DS substrates. All His-501 mutants were essentially inactive and thereby implicating this amino acid to play the critical role of proton abstraction during catalysis. The kinetic data for Glu-653 mutants indicated that it is involved in a hydrogen bonding network in the active site. The proximity of Tyr-508 to the glycosidic oxygen of the substrate at the site of cleavage suggested its potential role in protonating the leaving group. Arg-560 was proximal to the uronic acid C-5 proton, suggesting its possible role in the stabilization of the carbanion intermediate formed during catalysis.
Optimal marker‐adaptive designs for targeted therapy based on imperfectly measured biomarkers

Summary Targeted therapy revolutionizes the way that physicians treat cancer and other diseases, enabling them to select individualized treatment adaptively according to the patient's biomarker profile. The implementation of targeted therapy requires that the biomarkers are accurately measured, which may not always be feasible in practice. We propose two optimal marker-adaptive trial designs in which the biomarkers are subject to measurement errors. The first design focuses on a patient's individual benefit and minimizes the treatment assignment error so that each patient has the highest probability of being assigned to the treatment that matches his or her true biomarker status. The second design focuses on the group benefit, which maximizes the overall response rate for all the patients enrolled in the trial. We develop a Wald test to evaluate the treatment effects for marker subgroups at the end of the trial and derive the corresponding asymptotic power function. Simulation studies and an application to a lymphoma cancer trial show that the optimal designs proposed achieve our design goal and obtain desirable operating characteristics.
Pressure oscillations during re-expansion of gases in rotary vane compressors by a modified Helmholtz resonator approach

Abstract This paper describes a mathematical model in which some assumptions of the Helmholtz resonator theory are used, but extended to large pressure amplitudes. The model is verified by simple experiments and applied to the study of re-expansion oscillations that occur in rotary vane compressors.
Biometrics in Identity Management Systems

Biometric technology - the automated recognition of individuals using biological and behavioral traits - has been presented as a natural identity management tool that offers "greater security and convenience than traditional methods of personal recognition." Indeed, many existing government identity management systems employ biometrics to assure that each person has only one identity in the system and that only one person can access each identity. Historically, however, biometric technology has also been controversial, with many writers suggesting that biometrics invade privacy, that specific technologies have error rates unsuitable for large-scale applications, or that the techniques "are useful to organizations that regulate the individual, but of little use where the individual controls identification and authorization." Here, I address these controversies by looking more deeply into the basic assumptions made in biometric recognition. I'll look at some example systems and delve into the differences between personal identity and digital identity. I'll conclude by discussing how those whose identity is managed with biometrics can manage biometric identity management.
Differential susceptibility of potato cultivars to four herbicides

Greenhouse and field studies were conducted to evaluate the susceptibility of six potato (Solatium tuberosum L.) cultivars to injury by four herbicides. The White Rose cultivar was the most susceptible to injury, especially from metribuzin {4-amino-6-tert-butyl-3-(methylthio)-s-triazin-55 (4H) one}, and linuron {3-(3,4-dichlorophenyl)-l-methoxy-l-methyl-urea}. Injury was attenuated by decreasing the rate of herbicide in the range of 4.5 to 0.5 kg/ha (4 to 0.5 1b/A) and by increasing the seed piece size. Injury seemed to be associated with soil texture and was greater in a sandy loam than in a sandy clay loam soil. Greenhouse studies provided valuable leads on cultivar susceptibility to herbicides but reductions in foliar weight of 15 to 20% are required to justify any suspicion that field injury will occur.
The activity of 2',3'-cyclic adenosine monophosphate 3'-phosphoesterhydrolase in elasmobranch and teleost brain.

Abstract 1. 1. The activity of 2′,3′-cyclic adenosine monophosphate 3′-phosphoesterhydrolase was determined in the brains of several elasmobranchs and teleosts by a new fluorometric method using a fluorescent analogue of 2′,3′-cAMP, 1,N 6 -ethenoadenosine-2′,3′-cyclic monophosphate, as substrate. 2. 2. Enzymatic activity of lemon shark brain was optimal at a pH of 6·5 in acetate buffer and at a temperature of about 30°C. 3. 3. Brain enzyme activity in lemon, nurse and brown sharks was similar and was 0·17–0·25 m-moles/g wet wt. tissue per hr. Brain homogenates of sting rays ( Dasyatis spp.) had an activity of 0·32 and 0·34, respectively, and the brain homogenates from two teleost fishes assayed as 0·34 and 0·39, respectively. 4. 4. Assay of enzyme activity in various portions of elasmobranch brain showed that activity in the telencephalon was consistently higher than that in the whole brain while that in the medulla was lower; the optic lobes and cerebellum exhibited intermediate activity.
Murine gammaherpesvirus‐68‐induced interleukin‐10 increases viral burden, but limits virus‐induced splenomegaly and leukocytosis

Based on its genomic sequence and its pathogenesis, murine gammaherpesvirus-68 (gammaHV-68) has been established as a tractable model for the study of viral infections caused by the human gammaherpesviruses, Epstein-Barr virus or human herpesvirus-8. Despite significant advances, the mechanisms responsible for gammaHV-68-induced alterations in the protective host response, and the accompanying virus-induced leukocytosis, are not clear. In the present study, we questioned whether viral infection resulted in endogenous interleukin-10 (IL-10) production that might alter the host response. Infection of C57BL/6 mice resulted in increased IL-10 expression, demonstrating that gammaHV-68 could induce endogenous production of this cytokine. Infected C57BL/6 mice demonstrated the characteristic splenomegaly associated with this viral infection, however, we were surprised to discover that the splenomegaly was greater in syngeneic mice genetically deficient in IL-10 (IL-10-/-). These results strongly suggested that endogenously produced IL-10 might serve to limit leukocytosis in wild-type mice. Quantification of viral burden demonstrated a significant elevation in C57BL/6 versus IL-10-/- mice, with increases in virus being observed in both the macrophage and B-lymphocyte populations. The decreased viral load in syngeneic IL-10-/- mice correlated with an increased expression of endogenous IL-12, suggesting a mechanism of protection that was IL-12 dependent. Taken together, these studies demonstrate a surprising dichotomy for endogenous IL-10 production during gammaHV-68 infection. While the lack of IL-10 results in increased IL-12 expression and a lower viral burden, IL-10-/- mice also experience an increased leukocytosis.
Investigation of model parameters for high-resolution wind energy forecasting: Case studies over simple and complex terrain

Wind power forecasting, turbine micrositing, and turbine design require high-resolution simulations of atmospheric flow. Case studies at two West Coast North American wind farms, one with simple and one with complex terrain, are explored using the Weather Research and Forecasting (WRF) model. Both synoptically and locally driven events that include some ramping are considered. The performance of the model with different grid nesting configurations, turbulence closures, and grid resolutions is investigated through comparisons with observation data. For the simple terrain site, no significant improvement in the simulation results is found when using higher resolution. In contrast, for the complex terrain site, there is significant improvement when using higher resolution, but only during the locally driven event. This suggests the possibility that computational resources could be spared under certain conditions, for example when the topography is adequately resolved at coarser resolutions. Physical parameters such as soil moisture have a very large effect, but mostly for the locally forced events for both simple and complex terrain. The effect of the PBL scheme choice varies significantly depending on the meteorological forcing and terrain. On average, prognostic TKE equation schemes perform better than non-local eddy viscosity schemes.
Influence of catecholamines, prostaglandins and thyroid hormones on growth hormone secretion by chicken pituitary cells in vitro.

In young chickens plasma concentrations of growth hormone (GH) are depressed by prostaglandins (PG) E1 and E2, epinephrine, norepinephrine, alpha 2 and beta agonists or thyroid hormones. A primary culture of chicken adenohypophyseal cells was used to examine the direct effects of these agents at the level of the pituitary as evaluated by GH release in the presence and absence of growth hormone releasing factor (GRF). Following collagenase dispersion and culture (preincubation, 48 hr) cells were exposed (incubation, 2 hr) to test agents, except for thyroid hormones which were added during the preincubation, and incubation period. Growth hormone release was increased (P less than .05) in the presence of PGE1 (10(-8)M by 34%; 10(-7)M by 54%), PGE2 (10(-8)M by 29%; 10(-7)M by 29%), PGF2 alpha (10(-8)M by 28%), and the beta agonist isoproterenol (10(-7)M by 46%). Basal GH release from chicken pituitary cells was not affected by dopamine, norepinephrine, epinephrine, thyroxine (T4), triiodothyronine (T3), or alpha adrenergic agonists. Growth hormone releasing factor stimulated GH release was not affected by the presence of prostaglandins E1, E2 or F2 alpha in the incubation media. However, GRF stimulated GH release was reduced by high doses of catecholamines: dopamine (10(-6)M by 34%), norepinephrine (10(-6)M by 74%), epinephrine (10(-8)M by 47%; 10(-7)M by 41%; 10(-6)M by 89%), and by the alpha 1 adrenergic agonist, phenylephrine (10(-7)M by 52%), the alpha 2 agonist, clonidine (10(-8)M by 34%; 10(-7)M by 83%) and the beta agonist, isoproterenol (10(-7)M by 64%).(ABSTRACT TRUNCATED AT 250 WORDS)
Seismic fragility relationships of reinforced concrete high-rise buildings

A complete methodology is presented for the seismic fragility assessment of reinforced concrete high-rise buildings. The key steps of the methodology are illustrated through an example of the fragility assessment of an existing 54-story building with a dual core wall system. The set of rigorously derived probabilistic fragilities are the first published for high-rise reinforced concrete buildings. The inelastic nonlinear dynamic analyses for the fragility assessments are made using a simplified lumped-parameter model that was derived from highly detailed FE models using genetic algorithms. New definitions for performance limit states were based on the results of detailed pushover analyses of a distributed inelastic nonlinear finite element model that includes shear–flexure–axial interaction effects. To develop the fragility relationships, 1800 dynamic response history analyses were conducted. This study considered uncertainty in structural material values as well as in seismic demand. Thirty strong motion records were selected for use in the analyses that would produce an appropriate range in structural response characteristics due to variation in magnitude, distance and site condition. The overall approach is generic and can be applied to developing computationally efficient and probabilistically-based seismic fragility relationships for reinforced concrete high-rise buildings of different configurations. Copyright © 2007 John Wiley & Sons, Ltd.
Cooperative self scheduling in message passing parallel systems

A novel approach to dynamic scheduling in LAN-based message-passing parallel architectures is described. This approach, called cooperative self scheduling, allows the parallel application designer to control the scheduling of the processes in the application while still allowing the operating system to manage competing requests for resources. A set of primitives that allow communication between the operating system and the parallel application is provided. >
Gender education and equality in a global context: conceptual frameworks and policy perspectives, edited by S. Fennell and M. Arnot

Abingdon, Routledge, 2008, xii + 230 pp., $150.00 (hardback), ISBN 0‐415‐41944‐1 It is still so easy for researchers of gender and schooling to get caught in Western conceptual and methodological f...
Low-angle tilt boundaries and inhomogeneous current densities in sodium beta alumina

Observation of [h k.0] low-angle tilt boundaries in sodium beta alumina is reported. The boundaries have a habit plane close to the (00.1) planes, and are evidence for the existence of dislocations with a Burgers vector component in the [00.1] direction. The indications are that these dislocations dissociate according toc 0[00.1]→1/2c 0[00.1]+1/2c 0[00.1]. Such tilt boundaries can cause micro-inhomogeneities in sodium ion current flow and both enhancement and decrease of conduction plane current density seems possible.
A fuzzy logic based flight control system for "Ocean Voyager" autonomous underwater vehicle

A new variable structure fuzzy logic based flight control system (FCS) for the "Ocean Voyager" autonomous underwater vehicle is presented. This FCS is composed of three independently operating setpoint-based fuzzy logic controllers (FLCs) which regulate the heading, pitch, and depth of the vehicle. Each FLC contains a set of rules of the form: "IF THEN ." Rules which are most satisfied during the current state of the vehicle are reflected to the greatest degree in the controller output. Control action is realized through rudder and stern plan deflection. Planes are mounted on the tail of the vehicle in a cruciform fashion. Previously, the control rules of "Ocean Voyager" FCS formed a static, nonlinear mapping between inputs and outputs. This format is typical of many FLCs used today. The new variable structure controller dynamically scales the nonlinear mapping formed by the rules during different stages of a step response. This format combines the minimum time characteristics of bang-bang control, with the smooth robust convergence of linear control. Testing of this FCS has been done using a six degree of freedom, nonlinear, dynamic model of the "Ocean Voyager". Variable structure heading, pitch and depth controllers have shown increased performance over previous control strategies. Dynamic control of an AW is a complex, highly nonlinear problem. This work presents a simple approach. By which robust, minimum time control of the "Ocean Voyager" may be executed. >
Modeling Steel Frame Buildings in Three Dimensions. I: Panel Zone and Plastic Hinge Beam Elements

A procedure for efficient three-dimensional nonlinear time-history analysis of steel framed buildings is derived. It incorporates two types of nonlinear beam elements—the plastic hinge type and the elastofiber type—and nonlinear panel zone elements to model yielding and strain-hardening in moment-frames. Floors and roofs of buildings are modeled using 4-node elastic diaphragm elements. The procedure utilizes an iteration strategy applied to an implicit time-integration scheme to solve the nonlinear equations of motion at each time step. Geometric nonlinearity is included. An overview of the procedure and the theories for the panel zone and the plastic hinge elements are presented in this paper. The theory for the elastofiber element along with illustrative examples are presented in a companion paper. The plastic hinge beam element consists of two nodes at which biaxial flexural yielding is permitted, leading to the formation of plastic hinges. Elastic rotational springs are connected across the plastic hinge locations to model strain-hardening. Axial yielding is also permitted. The panel zone element consists of two orthogonal panels forming a cruciform section. Each panel may yield and strain-harden in shear.
Romantic love and the ravages of time.

The purpose of the present research was to assess whether romantic love is a temporary state. In Study I 88 subjects (62 women, 26 men) reported length of interest in their beloved, romantic feelings, absence of anxiety, absence of anger, and elation elicited by the thought of the beloved, as well as the frequency with which they thought of the beloved. Length of interest did not correlate with the various emotions but relationship status did. Study II focused on the longer relationships of 50 married couples, correlating length of marriage with the emotions. For women, negative relationships were found between length of marriage, elation, and the absence of anxiety.
Disease classification: measuring the effect of the Tenth Revision of the International Classification of Diseases on cause-of-death data in the United States.

The purpose of this paper is to describe the statistical impact of the Tenth Revision of the International Classification of Diseases (ICD-10) on cause-of-death data for the United States. ICD-10 was implemented in the U.S. effective with deaths occurring in 1999. The paper is based on cause-of-death information from a large sample of 1996 death certificates filed in the 50 States and the District of Columbia. Cause-of-death information in the sample includes underlying cause of death classified by both ICD-9 and ICD-10. Preliminary comparability ratios by cause of death presented in this paper indicate the extent of discontinuities in cause-of-death trends from 1998 to 1999 resulting from implementing ICD-10. For some leading causes (for example, septicaemia, influenza and pneumonia, Alzheimer's disease, and nephritis, nephrotic syndrome and nephrosis) the discontinuity in trend is substantial. Results of this study, although preliminary, are essential to analysing trends in mortality statistics between ICD-9 and ICD-10. In particular, the results provide a means for interpreting changes between 1998, which is the last year in which ICD-9 was used, and 1999, the year in which ICD-10 was implemented for mortality in the United States. Published in 2003 by John Wiley & Sons, Ltd.
9.6/4.8 GHz dual-mode voltage-controlled oscillator with injection locking

A prototype dual-mode voltage-controlled oscillator supporting two simultaneous oscillation modes is fabricated and demonstrated in a 0.18 mum CMOS process. The oscillator has two resonant ports while sharing one bias. Injection locking is applied to lock the low frequency, 4.8 GHz, to half of the high frequency, 9.6 GHz. The oscillator core consumes 7 mA from a 1.8 V supply. Measurement shows a tuning range of 5% and phase noise is -103 and -109 dBc/Hz measured at 1 MHz offset from the high and low frequency tones, respectively
Response to de Graaff & de Gelder's comment on CRUNCH: a phase refinement program for high-resolution macromolecular structures

The February issue of the Journal of Applied Crystallography, in the section Computer Programs, contains the paper entitled CRUNCH: a phase re®nement program for high-resolution macromolecular structures, by Langs, Blessing & Smith (2000). We would like to point out that an earlier program system Crunch has been available to the scienti®c community for a number of years now (Abrahams & de Graaff, 1998; de Graaff, 1998; Cram et al., 1999; de Gelder & de Graaff, 1999). Crunch has been developed for the automatic solution of dif®cult `small' structures. Without discussing the various merits and demerits of the two programs, we feel that the existence of two different programs aimed at the same or a similar group of users and bearing the same name will lead to unnecessary confusion. We hope that Dr Langs et al. will address this point as soon as possible.
Spatial and Temporal Variability in the Growth and Climate Response of Treeline Trees in Alaska

In this study, we investigated the response of trees growing at the cold margins of the boreal forest to climate variation in the 20th century. Working at eight sites at and near alpine and arctic treeline in three regions in Alaska, we compared tree growth (from measured tree ring-widths) to historical climate data to document how growth has responded to climate variation in the 20th century. We found that there was substantial regional variability in response to climate variation. Contrary to our expectations, we found that after 1950 warmer temperatures were associated with decreased tree growth in all but the wettest region, the Alaska Range. Although tree growth increased from 1900–1950 at almost all sites, significant declines in tree growth were common after 1950 in all but the Alaska Range sites. We also found that there was substantial variability in response to climate variation according to distance to treeline. Inverse growth responses to temperature were more common at sites below the forest margin than at sites at the forest margin. Together, these results suggest that inverse responses to temperature are widespread, affecting even the coldest parts of the boreal forest. Even in such close proximity to treeline, warm temperatures after 1950 have been associated with reduced tree growth. Growth declines were most common in the warmer and drier sites, and thus support the hypothesis that drought-stress may accompany increased warming in the boreal forest.
Capacity contribution of the interfacial layer on anode current collectors and their electrochemical properties in Lithium ion batteries

Current collectors in lithium ion batteries are considered to give the electronic conduction to the electrode materials without electrochemical reactions. However, once the current collectors are thermally treated with active electrode materials, thermally treated current collectors might induce electrochemical reaction that affects the whole cell performance due to the interfacial layer formed by the thermal treatment. In this work, Ni foam and Cu foil current collectors were investigated to understand their capacity contribution and electrochemical properties after thermal treatment.
Discovery of CP-866,087, a mu opioid receptor antagonist for the treatment of alcohol abuse and dependence

CP-866,087 (compound 15) is a novel, potent and selective mu opioid receptor antagonist. The design rationale, synthesis, in vitro and in vivo biological evaluation are reported herein. Preclinical efficacy data in disease relevant models measuring reduction of alcohol intake are presented, along with preclinical pharmacokinetic properties which supported the selection of the title compound for clinical evaluation.
Heterodonty in Tyrannosaurus rex: implications for the taxonomic and systematic utility of theropod dentitions

ABSTRACT Tyrannosaurus rex possesses a heterodont dentition composed of three classes (premaxillary, maxillary, and dentary) and several sets. The maxilla contains mesial and distal sets and the dentary contains first dentary tooth (d1), mesial, and distal sets. Teeth were described with four size and two shape variables and several variables describing crown curvature and denticle size. The premaxillary teeth are derived structures with labiolingually oriented long axes, moderate mesial curvature, and mesiolingually and distolingually placed carinae that extend down the lingual faces. The mesial maxillary crowns are large, basally rounded, and moderately curved with mesiodistally oriented long axes. The mesial carinae begin at the apices and curve lingually to about the midcrown point and the distal carinae begin at the apices and extend down the labial sides of the distal faces. The distal maxillary crowns are larger than the premaxillary and smaller than the mesial maxillary and all but the most distal...
Industrial Archaeology—An Avocation for Engineers

Civil engineers can play an important role in industrial archaeology through the use of engineering skills and insights. The recent awareness of the interrelationship of technology and society has created a new interest in the history of engineering and given rise to the new field of industrial archaeology, which through detailed investigations of industrial remains seeks to provide “building blocks” for the professional historian of technology. The importance of engineering techniques necessary for site recording and interpretation is emphasized. Typical examples of recent projects together with a selected bibliography and industrial archaeology recording forms are presented.
Co(salophen)-Catalyzed Aerobic Oxidation of p-Hydroquinone: Mechanism and Implications for Aerobic Oxidation Catalysis.

Macrocyclic metal complexes and p-benzoquinones are commonly used as co-catalytic redox mediators in aerobic oxidation reactions. In an effort to gain insight into the mechanism and energetic efficiency of these reactions, we investigated Co(salophen)-catalyzed aerobic oxidation of p-hydroquinone. Kinetic and spectroscopic data suggest that the catalyst resting-state consists of an equilibrium between a CoII(salophen) complex, a CoIII-superoxide adduct, and a hydrogen-bonded adduct between the hydroquinone and the CoIII–O2 species. The kinetic data, together with density functional theory computational results, reveal that the turnover-limiting step involves proton-coupled electron transfer from a semi-hydroquinone species and a CoIII-hydroperoxide intermediate. Additional experimental and computational data suggest that a coordinated H2O2 intermediate oxidizes a second equivalent of hydroquinone. Collectively, the results show how Co(salophen) and p-hydroquinone operate synergistically to mediate O2 redu...
Book Review: J. P. Das and S. B. Misra, Cognitive Planning and Executive Functions: Applications in Management and Education

J. P. Das and S. B. Misra, Cognitive Planning and Executive Functions: Applications in Management and Education. New Delhi: SAGE Publications, 2015, 364 pp.
Monitoring Results of Tableware Disinfection in Street Food Stalls in Haiyang City during 2006-2010

[Objective]To understand the sanitary situation of tableware in street foods stalls in Haiyang City,and provide scientific basis for food hygiene management.[Methods]Conliform test paper was used for test.[Results]The hygienic qualification rate of food stalls was 58.59% during 2006-2010,and it increased annually.The urban hygienic qualification rate(65.08%)was higher than that of villages and towns(48.57%);The hygienic qualification rate of tableware was 61.08%,urban rate(67.16%) was higher than rural rate(50.83%);The hygienic qualification rate of chopsticks,spoon,cup was higher than that of bowl and plate.The qualification rate of disinfectant tableware(98.46%) was different from that of unsterile tableware(21.86%).48.8% percent of all sampling tablewares were not sterilized.[Conclusion]The hygienic qualification rate of tableware is relatively low in Haiyang City.It needs to integrate with reality,to strengthen the supervision and monitoring,so as to ensure the food safety of residents.
Simultaneous determination of eight protein anabolic hormones in human plasma by ultrafast liquid chromatography- tandem mass spectrometry

AIM To develop a sensitive and accurate method for the simultaneous determination of 8 protein anabolic hormones in human plasma by ultrafast liquid chromatography- tandem mass spectrometry(UFLC-MS/MS)with isotope internal standard dilution technique and solid-phase extraction.METHODS Proteins in plasma sample were precipitated by methanol and cleaned by Waters Oasis~(?) HLB solid-phase extraction cartridge.The separation was performed on a Shim-pack XR-ODSⅡcolumn(75 mm×2.0 mm,2.2μm) with a linear gradient elution program using acetonitrile (containing 0.1%formic acid) and 0.1%formic acid aqueous solution as mobile phase.Electrospray ionization was applied and operated in the positive ion multiple reaction monitoring(MRM) mode.The quantitation was carried on by methyltestosterone-D_3 isotope internal standard dilution technique.RESULTS The calibration curves were in good linearity for the 8 analytes in the each linearity range with the correlative coefficients more than 0.999.Limits of quantitation (LOQs,R_(S,N)≥10) were in the range of 0.5 -1.0μg·L~(-1),and the relative recoveries were between 95.0%and 105.0%.The intra-day relative standard deviations(RSDs) for assaying the plasma sample containing three concentrations of the 8 analytes were all lower than 6.0%,and inter-day RSDs were all lower than 10.0%.CONCLUSION The developed method is specific,sensitive and simple,and is conformed to the requirements of biological specimen analyses.
Structural and thermodynamic basis of proline-induced transmembrane complex stabilization.

In membrane proteins, proline-mediated helix kinks are indispensable for the tight packing of transmembrane (TM) helices. However, kinks invariably affect numerous interhelical interactions, questioning the acceptance of proline substitutions and evolutionary origin of kinks. Here, we present the structural and thermodynamic basis of proline-induced integrin αIIbβ3 TM complex stabilization to understand the introduction of proline kinks in membrane proteins. In phospholipid bicelles, the A711P substitution in the center of the β3 TM helix changes the direction of adjacent helix segments to form a 35 ± 2° angle and predominantly repacks the segment in the inner membrane leaflet due to a swivel movement. This swivel repacks hydrophobic and electrostatic interhelical contacts within intracellular lipids, resulting in an overall TM complex stabilization of −0.82 ± 0.01 kcal/mol. Thus, proline substitutions can directly stabilize membrane proteins and such substitutions are proposed to follow the structural template of integrin αIIbβ3(A711P).
Driven optical matter(Conference Presentation)

Optical trapping has enabled studying a wide variety of questions and systems in chemistry, biology, physics, and materials science. For example, optical trapping has been used to understand hydrodynamic interactions in dilute and dense colloidal fluids and discover connections to granular materials. In this presentation we show that shaped optical fields and gradients can be used to study the electrodynamic interactions amongst nanoparticles (NPs) and drive them into new ordered states. We demonstrate the formation and use of NP-based optical matter to study a range of nonequilibrium phenomena in solution; field-driven barrier crossing phenomena and noise-driven ordering. Optical matter, a material that forms only in the presence of an optical field, involves NP interactions by optical scattering and interference. Metal NPs can be formed into regular arrangements in minimally shaped fields; e.g., in focused Gaussian beams, line traps, and optical ring traps. Inter-particle interactions and motions are also affected when the optical matter is driven. Particles recirculate in an optical ring vortex trap allowing long term measurements to examine rare events. In particular, particles can hop between optical binding sites, move past electrodynamic obstacles or pass each other while moving around the ring. The polarization state of the optical beam can be used to produce periodic variations of the NP electrodynamic interactions. As particles circulate this “noise” causes NP clusters to be less stable as if the temperature of the system is increased. Conversely, we observe noise-driven ordering in dense systems. We will explain these phenomena using simulations and theory.
2. Hepatitis C Virus Can Evolve Resistance To microRNA-122 Inhibitors

Hepatitis C virus (HCV) replication is dependent on a liver-specific microRNA (miRNA), miR-122. A recent clinical trial reported that transient inhibition of miR-122 using locked nucleic acid (LNA) oligonucleotides reduced viral titers in HCV infected patients. Though viral resistance was not reported, the transient nature of these studies makes it unclear whether HCV can evolve resistance to miR-122 inhibition. To address this important question, we generated liver cells in which miR-122 was stably inhibited using a lentiviral vector-based miR-122 decoy.Strikingly, after 20 days in culture we observed the emergence of an HCV variant that was resistant to miR-122 knockdown. Deep-sequencing of the resistant virus revealed that this was due to a single nucleotide change at position 28 (G28A) of the HCV genome, which falls between the two miR-122 seed-binding sites in the virus. We could recapitulate resistance into a wildtype virus by introducing the G28A mutation, which confirmed that this single nucleotide change was responsible. We also found that the G28A mutation makes HCV similarly resistant to miR-122 knockdown by LNA. Importantly, HCV isolates that were innately G28A were similarly resistant to miR-122 inhibition by miR-122 decoy and LNA, indicating that our findings apply to natural strains of the virus, and to inhibition using oligonucleotides.To better understand the mechanism by which G28A confers resistance, we precisely quantitated both wild-type and mutant virus miR-122 stoichiometric requirements. Our results indicate that in the presence of excess miR-122 to viral genomes, there was no difference in target site interaction. Instead, when the bioavailable concentration of miR-122 become rate-limiting, the G28A target site became preferentially regulated. These results indicate that target site selection is strongly influenced by microRNA concentration, and demonstrate that subtle differences in viral sequence, even outside the seed-binding site, greatly affect HCV's miR-122 concentration requirement.This study provides insight into the interaction between miR-122 and HCV, including viral adaptation to reduced miR-122 bioavailability, and has broader implications for the development and use of microRNA-based drugs and for our understanding of microRNA target site selection.
Review and Extension of CO2-Based Methods to Determine Ventilation Rates with Application to School Classrooms

The ventilation rate (VR) is a key parameter affecting indoor environmental quality (IEQ) and the energy consumption of buildings. This paper reviews the use of CO2 as a “natural” tracer gas for estimating VRs, focusing on applications in school classrooms. It provides details and guidance for the steady-state, build-up, decay and transient mass balance methods. An extension to the build-up method and an analysis of the post-exercise recovery period that can increase CO2 generation rates are presented. Measurements in four mechanically-ventilated school buildings demonstrate the methods and highlight issues affecting their applicability. VRs during the school day fell below recommended minimum levels, and VRs during evening and early morning were on the order of 0.1 h−1, reflecting shutdown of the ventilation systems. The transient mass balance method was the most flexible and advantageous method given the low air change rates and dynamic occupancy patterns observed in the classrooms. While the extension to the build-up method improved stability and consistency, the accuracy of this and the steady-state method may be limited. Decay-based methods did not reflect the VR during the school day due to heating, ventilation and air conditioning (HVAC) system shutdown. Since the number of occupants in classrooms changes over the day, the VR expressed on a per person basis (e.g., L·s−1·person−1) depends on the occupancy metric. If occupancy measurements can be obtained, then the transient mass balance method likely will provide the most consistent and accurate results among the CO2-based methods. Improved VR measurements can benefit many applications, including research examining the linkage between ventilation and health.
Frame flexibility: The role of cognitive and emotional framing in innovation adoption by incumbent firms

Research Summary Why do incumbent firms frequently reject nonincremental innovations? Beyond technical, structural, or economic factors, we propose an additional factor: the degree of the top management team's (TMT) frame flexibility, i.e., their capability to cognitively expand an innovation's categorical boundaries and to cast the innovation as emotionally resonant with the organization's identity, competencies, and competitive boundaries. We argue that inertial forces generally constrict how TMTs perceive innovations, but that frame flexibility can overcome these constraints, increasing the likelihood of adoption and broadening the organization's innovation practices. We advance a theoretical model that relaxes the assumption that cognitive frames are static, showing how they become flexible via categorical positioning, and introduce a role for emotional frames that appeal to organizational members' sentiments and aspirations in innovation adoption. Managerial Summary Confronting a technological change is one of the most difficult challenges facing any incumbent firm. Technological transitions create pressure for leaders to reframe their mental models while continuing to develop existing capabilities and product category variants. Yet at key junctures in a product class and during technological change, a concrete definition of the firm's innovation boundaries and identity hold a firm hostage to its past. We show how a flexible cognitive frame—coupled with emotional framing—helps leaders and organization members become emotionally engaged in transformation efforts and, in turn, learn about executing nonincremental innovation over time. At technological transitions, perhaps there is no more important role for leaders than to expand their cognitive frames and to infuse these expanded frames with emotion.
Equilibrium and ultrafast kinetic studies manipulating electron transfer: A short-lived flavin semiquinone is not sufficient for electron bifurcation

Flavin-based electron transfer bifurcation is emerging as a fundamental and powerful mechanism for conservation and deployment of electrochemical energy in enzymatic systems. In this process, a pair of electrons is acquired at intermediate reduction potential (i.e. intermediate reducing power), and each electron is passed to a different acceptor, one with lower and the other with higher reducing power, leading to "bifurcation." It is believed that a strongly reducing semiquinone species is essential for this process, and it is expected that this species should be kinetically short-lived. We now demonstrate that the presence of a short-lived anionic flavin semiquinone (ASQ) is not sufficient to infer the existence of bifurcating activity, although such a species may be necessary for the process. We have used transient absorption spectroscopy to compare the rates and mechanisms of decay of ASQ generated photochemically in bifurcating NADH-dependent ferredoxin-NADP+ oxidoreductase and the non-bifurcating flavoproteins nitroreductase, NADH oxidase, and flavodoxin. We found that different mechanisms dominate ASQ decay in the different protein environments, producing lifetimes ranging over 2 orders of magnitude. Capacity for electron transfer among redox cofactors versus charge recombination with nearby donors can explain the range of ASQ lifetimes that we observe. Our results support a model wherein efficient electron propagation can explain the short lifetime of the ASQ of bifurcating NADH-dependent ferredoxin-NADP+ oxidoreductase I and can be an indication of capacity for electron bifurcation.
Predoctoral and Postdoctoral Training Pipeline in Translational Biomaterials Research and Regenerative Medicine

The translation of biomaterial based and regenerative therapies from the laboratory to patients involves multiple challenges. One of the most pressing challenges is the educational one: to train a cohort of scientists and engineers capable of translating their discoveries from bench to market to clinic. To meet this need, translational training programs are being implemented globally at universities and as partnerships between universities and corporations. In this perspective, we describe two translational NIH T32 graduate and postgraduate training programs that augment the traditional approach to training early stage scientists and engineers. At the graduate level, Boston University developed and implemented the Translational Research in Biomaterials (TRB) predoctoral training program. At the postgraduate level, Rutgers, The State University of New Jersey, developed and implemented the Translational Research in Regenerative Medicine (TRRM) program for postdoctoral training. These programs are motivated ...
Predicting Raman Spectra of Condensed Polymer Phases from MD Simulations

Raman spectroscopy is useful for probing conformational disorder and detecting rotator phases in n-alkanes and polyethylene. Raman spectra do not give direct information about molecular conformations or phase structure, which are inferred from spectral signatures of previously identified phases. Here, we use molecular dynamics simulations to model polymer systems and predict their Raman spectra, so spectral and structural information can be obtained at once. Central to our method is the bond polarizability model, which represents molecular polarizability as a sum of individual bond contributions. We use two approaches for generating the Raman spectrum. First is normal-mode analysis, useful for identifying Raman modes in ordered phases. More generally, we compute the time-dependent polarizability and Raman spectra directly from simulation trajectories. Our results capture the main features of experimental spectra for crystalline, rotator, and melt phases of polyethylene.