cssi/SciSciGPT-SciSciNet huggingface dataset:
A study of steric effects in the reactions of some chelating ditertiary phosphine and arsine ligands with methylmanganese pentacarbonyl

Abstract The reactions of the bidentate ligands, (LL), (C 6 H 5 ) 2 P(CH 2 ) n P(C 6 H 5 ) 2 ( n = 1, 2 or 3), CH 3 C[CH 2 P(C 6 H 5 ) 2 ] 3 , (C 6 H 5 ) 2 AsCH 2 CH 2 As(C 6 H 5 ) 2 , o -C 6 H 4 [As(CH 3 ) 2 , (C 6 H 5 ) 2 PCH(CH 3 )P(C 6 H 5 ) 2 and (C 6 H 5 ) 2 PC(CH 3 ) 2 P(C 6 H 5 ) 2 with methyl-maganese pentacarbonyl proceed stepwise. The first-formed mono-substituted complexes, CH 3 COMn(CO) 4 (LL), react at different rates to generate CH 3 COMn(CO) 3 (LL). The thermodynamically favored isomer of each CH 3 COMn(CO) 3 (LL) examined has a facial configuration except where LL is (C 6 H 5 ) 2 PC(CH 3 ) 2 P(C 6 H 5 ) 2 , for which the unique meridional structure is favored. Decarbonylation of all acetyl complexes yielded only fac -CH 3 Mn(CO) 3 (LL). Inter-ligand repulsion between an acetyl group and each of the chelating ligands is greater than for a methyl group and is responsible for the variations in the structures of the acetyl complexes. Structural assignments are based on 1 H NMR and IR observations.
An efficient and accurate quantum lattice-gas model for the many-body Schrödinger wave equation

Presented is quantum lattice-gas model for simulating the time-dependent evolution of a many-body quantum mechanical system of particles governed by the non-relativistic Schrodinger wave equation with an external scalar potential. A variety of computational demonstrations are given where the numerical predictions are compared with exact analytical solutions. In all cases, the model results accurately agree with the analytical predictions and we show that the model's error is second order in the temporal discretization and fourth order in the spatial discretization. The difficult problem of simulating a system of fermionic particles is also treated and a general computational formulation of this problem is given. For pedagogical purposes, the two-particle case is presented and the numerical dispersion of the simulated wave packets is compared with the analytical solutions.
Framework for evaluating the feasibility/operability of nonconvex processes

A large number of publications available on determining the feasible region and the operability limits for a design are all limited due to the assumption that the feasible space is convex, but almost all of the problems appearing in chemical engineering are nonconvex in nature. Determining the region where the design is feasible and safe to operate is of extreme importance. To address this problem, a novel algorithm was developed based on the idea of systematically evaluating the infeasibility areas using the outer approximation procedure introduced earlier, and the simplicial approximation approach to approximate the expanded feasible space constructed with the exclusion of the nonconvex constraints. This approach is general and deals with any nonconvex regions, as long as the nonconvex constraints are either concave or quasi-convex, as illustrated through a series of example problems. A new metric is introduced to accommodate the need for comparison between various designs.
Thermodynamics of hydrochloric acid in water + 50 mass per cent of ethylene carbonate from e.m.f. measurements at 293.15 to 328.15 K

Abstract Electromotive force measurements of cells of the type: Pt|H 2 (g)HCl(m) in H 2 + ethylene carbonate|AgCl|Ag at 8 temperatures from 293.15 to 328.15 K have been used to derive (a) the standard e.m.f. of the cell in water + 50 mass per cent ethylene carbonate, (b) the activity coefficient of hydrochloric acid, (c) the relative partial molar enthalpy and relative partial molar heat capacity of HCl at 298.15 K, and (d) the thermodynamic quantities for the transfer of HCl from the standard state in water to the standard state in water + 50 mass per cent ethylene carbonate. The molality m of the acid ranged from 0.0098 to 0.25 mol kg−1. The standard e.m.f. was determined by an extrapolation method making use of the extended terms of the Debye-Huckel theory.
CONSTANT FINAL ENERGY AND CONSTANT INITIAL ENERGY SPECTROSCOPY

The photon energy dependence of photoelectron emission contains significant information about the properties of matter. By taking advantage of the synchrotron radiation continuum one can scan the photon energy hv and directly obtain this photon energy dependence. We have developed and used two modes of scanning hv. In one the kinetic energy window of the photoelectron spectrometer, Ef, is held constant as hv is varied and is referred to as the Constant Final-energy Spectrum (CFS). For the other Ef and hv are synchronously varied such that Ef – hv is constant. Since Ei – hv is the initial energy Ei for one particle excitations, the resultant curve is termed the Constant Initial-energy Spectrum (CIS). The CFS and the CIS together with the traditional Energy Distribution Curve (EDC) form the three modes of photoemission spectroscopy. The CFS and CIS modes have been applied to the study of valence and core state excitations, surface and volume properties, for solids as well as gases. The CIS provides one with a final state spectroscopy since Ei is fixed as Ef is scanned which results for example in the determination of conduction band energies for valence excitation and hole decay mechanisms for core excitations. In particular the behaviour at the core threshold can be studied and the results for the GaAs 3d core-to-empty-surface state exciton and the ensuing core hole decay processes are presented. With the development of angle-resolved photoemission the CFS and CIS modes have found new applications. Structure in the direct emission of the In 4d core of InP due to conduction band States is presented. A principal selection rule in polarization-dependent, angle-resolved photoemission spectroscopy (PARUPS) is conservation of the parallel component of the wave vector, k||. Since the CFS mode fixes Ef, a CFS measured at a particular polar angle determines the emission properties for a unique k|| value which facilitates the interpretation. An overview of the various types of studies performed with the CFS and CIS modes will be given. Recent results obtained from data collected at the Wisconsin Synchrotron Radiation Centre are presented for valence band and conduction band critical point energies of GaAs and for the L1 point of Ni which determines a new d-band width.
Bmi1 is required for murine pancreatic cancer initiation

RESULTS: Snail over-expression in KrasG12D mice significantly increased mast cell and granulocyte infiltration to the pancreatic tumor microenvironment. Snail over-expression in KrasG12D mice did not increase T-regulatory cell or macrophage infiltration to the pancreatic tumor microenvironment. Cerulein-induced pancreatitis in KrasG12D mice increased mast cell infiltration, and Snail over-expression appears to potentiate the effect of cerulein in these mice.
Forward-looking mine detection using an ultrawideband radar

In this paper, we investigate the feasibility and effectiveness of using forward-imaging ultra-wideband radar technology for vehicular-based mine detection. A synthetic aperture is formed by moving the radar form side to side while the vehicle moves forward. In addition, the changing depression angle to the image area from the forward motion of the radar allows for depth resolution. Consequently, we generate 3D images of buried mines using a back propagation approach and a method-of-moments technique to model the backscatter from buried M20 mines. We developed software to simulate different imaging scenarios in order to define system limitations and optimize parameter values. For example, we generate imagery using different radar paths, and determine the effects of side-to-side sweep rate and vehicle speed on 3D resolution and overall system performance. Simulation results will be presented along with system design recommendations.
An Ito formula for domain-valued processes driven by stochastic flows

We consider a natural class of stochastic processes taking values in the space of smoothly bounded domains in ℝ n with compact closure. These processes are generated by stochastic flows on ℝ n which are obtained as the solutions of stochastic differential equations on ℝ n . We establish an Ito formula for smooth domain functionals, applied to processes in this class.
Ships for the Seven Seas: Philadelphia Shipbuilding in the Age of Industrial Capitalism

Between the Civil War and World War I, Philadelphia emerged as the vital centre of American shipbuilding. This work explores this complex industry, from the workshop level to subcontracting networks spanning the Delaware valley. It describes entrepreneurial strategies and industrial change that facilitated the rise of the major shipbuilding firms; how naval architecture, marine engineering, and craft skills evolved as iron and steel took over wood as the basic construction material; and how changes in domestic and international trade and the rise of the American steel navy helped generate vessel contracts for local builders. The book also examines the military-industrial complex in the context of naval contracting. Contributing to the current debates in business history, this text explains how proprietary ownership and batch production strategies enabled late 19th-century builders to supply volatile markets with custom-built ships. But large-scale naval construction in the 1920s eroded production flexibility, the author argues, and since then, ill-conceived merchant marine policies and naval contracting procedures have brought about a structural crisis in American shipbuilding and the demise of the venerable Philadephia shipyards.
Aggregation and transport of Brij surfactants in hydroxyethyl methacrylate hydrogels

Abstract Surfactant loaded polymeric hydrogels find applications in several technological areas including drug delivery. Drug transport can be attenuated in surfactant loaded gels through partitioning of the drug in the surfactant aggregates. The drug transport depends on the type of the aggregates and also on the surfactant transport because diffusion of the surfactant leads to dissolution of the aggregates. The drug and the surfactant transport can be characterized by the surfactant monomer diffusivity Ds. and the critical aggregation concentration C*. Here we focus on the transport in hydroxyethyl methacrylate (HEMA) hydrogels loaded with three different types of Brij surfactants. We measure transport of a hydrophobic drug cyclosporine and the surfactant for surfactant loadings ranging from 0.1% to 8%, and utilize the data to predict the values of Ds. and C*. We show that the predictions based on surfactant transport are significantly different from those based on modeling the drug transport. The differences are attributed to the assumption of just one type of aggregate in the gel irrespective of the total concentration. The transport data suggests existence of multiple types of aggregates and this hypothesis is validated for Brij 98 by imaging of the microstructure with free fracture SEM.
Sensing signal input bearing to sensor array using velocity-sensitive spatiotemporal filters

A system is presented to process ultrasonic signals from an array of MEMS microphones to determine the angle of incidence of the original signal. Apparent velocity of the wavefront across the array is processed using spatiotemporal filters, each tuned to a different velocity. Simulation results demonstrate one-degree accuracy for SNR>14 dB.
Boccardia hamata (Polychaeta:spionidae): A potential pest of the American oyster in the James River, Virginia

During a comprehensive survey of fauna associated with James River oyster reefs in 1971–72, a large population of the spionid polychaeteBoccardia hamata was found. The abundance of this boring species was greater than that of the well-known oyster pestPolydora websteri. B. hamata has not been reported previously in the Chesapeake Bay system and its occurrence on the east coast of the United States is not common.
Two-dimensional correlation spectroscopies of localized vibrations

Abstract One- and two-dimensional vibrational response functions which may be used in the simulations of molecular fifth-order Raman and second-order infrared techniques are calculated for a set of interacting localized anharmonic vibrations. Employing a vibrational Frenkel exciton model we have accounted for exciton–exciton scattering due to quartic anharmonicities as well as for the creation and annihilation of one vibrational quanta by cubic anharmonicities. Closed expressions for the optical response are given in terms of the one- and two-exciton Green functions, the exciton scattering matrix and the exciton population Green function.
Bond orders in tricarbonyl[η4-cyclobutadiene]iron complexes

Abstract Valence bond structure-resonance theory is used to calculate bond orders in tricarbonyl cyclobutadieneiron complexes. CFe bond lenghts show a linear correlation with the bond orders. CFe bond lengths in benzocyclobutadiene complexes V and Vi (Table 1) which had been called “surprising”, are rotationalized. A graph theoretical method to calculate the bond orders is illustrated.
Global health: Persuasive evidence on HIV policy.

Antiretroviral therapy has revolutionized the fight against the HIV/AIDS pandemic. Surveillance analyses of a large population in rural South Africa make a compelling case that sustained support for this therapy is essential.
A monolithic 2.3 Gb/s 100 mW clock and data recovery circuit

A PLL (phase-locked-loop)-based clock and data recovery chip intended for several data-link applications above 2 Gb/s is described. The single-chip clock and data recovery PLL is implemented in a standard digital silicon bipolar technology without modification. The only external component is the loop filter capacitor. At 2.3 Gb/s, the chip consumes 100 mW from a -3.6-V supply, excluding the input and output buffers. This enables integration of these functions into a larger receiver subsystem while still keeping the power dissipation low. The ground rules used in this work result in an n-p-n device with 0.7 mu m effective emitter width and peak f/sub T/ of about 30 GHz. >
Beam Measurements on the Electron Injector for a High Current Betatron

The beam from a pulsed electron source for injection into a high current betatron has been investigated. Only cold cathode field enhanced emitters were considered. Carbon fiber bundles and hydrocarbon felt were tried in a gridded Pierce-geometry gun. The observed emittance was not acceptable at a current of 140 A and a diode potential of about 280 kV. An alternative source was investigated consisting of a single needle point cathode and a plane anode grid. At a current of 200 A an emittance of ? = 44? cm mrad was observed. The spherical aberration of the source was found negligible. The pulse length of the high voltage pulse was about 20 nsec. The turn-on delay times for the carbon fiber and the needle point cathode were around 10 to 15 nsec.
The effect of d-isoascorbic acid on spermatophore composition in Spodoptera littoralis

Administration of d-isoascorbic acid to Spodoptera littoralis males increased the recovery of soluble proteins from the sclerotized spermatophore. Decreased crosslinking was also implicated in the pathology by accumulation of phenols in the intact tissue at the expense of the aromatic constituents of the heavily tanned residual proteins resistant to proteolytic digestion. Structural proteins of tanned corpus (bulb) and collum (duct) resembled fibrous proteins in amino acid composition, with high levels of cysteine-cystine, and proline. The presence of collagen was also indicated by the identification of hydroxylysine in the hydrolysates. Ingestion of d-isoascorbic acid induced declines in phenylalanine, histidine, lysine, cystine (12) and hydroxylysine in accord with a failure to stabilize specific components of the spermatophore matrix.
The communications challenge of a post-apartheid South Africa: The intercultural agenda

Abstract Based on personal experience in South Africa (1984–1985), this paper broadly outlines and discusses the intercultural dimension of the South African dilemma. The intercultural communication needs are viewed as fundamental for the promotion and sustaining of positive structural changes that will emerge post-Apartheid. By reviewing events in South Africa and summarizing a recent South African study emphasizing the intercultural needs, the paper posits a readiness for addressing the issue and asserts that intercultural communicators do not have the option of “disinvesting” in South Africa. The paper briefly reviews two programs in South Africa addressing the intercultural needs agenda.
Results and future perspectives of the neutron spin structure studies at Jefferson Lab

The Jefferson Lab Hall A polarized 3He (neutron spin structure) program is presented with a special focus on the measurement of the Q2 evolution of the generalized GDH integral.
Importin Beta: Conducting a Much Larger Cellular Symphony

Importin beta, once thought to be exclusively a nuclear transport receptor, is emerging as a global regulator of diverse cellular functions. Importin beta acts positively in multiple interphase roles: in nuclear import, as a chaperone for highly charged nuclear proteins, and as a potential motor adaptor for movement along microtubules. In contrast, importin beta plays a negative regulatory role in mitotic spindle assembly, centrosome dynamics, nuclear membrane formation, and nuclear pore assembly. In most of these, importin beta is counteracted by its regulator, Ran-GTP. In light of this, the recent discovery of Ran's involvement in spindle checkpoint control suggested a potential new arena for importin beta action, although it is also possible that one of importin beta's relatives, the karyopherin family of proteins, manages this checkpoint. Lastly, importin beta plays a role in transducing damage signals from the axons of injured neurons back to the cell body.
Do you feel alright? Attenuated neural processing of aversive interoceptive stimuli in current stimulant users.

Inability to appropriately process afferent interoceptive stimuli may contribute to initiation and/or escalation of substance use. An aversive interoceptive stimulus probed neural processing in problem stimulant users (PSU; n = 19), 18 desisted stimulant users (DSU; n = 18), and healthy comparison subjects (CTL; n = 21). Participants completed a continuous performance task while they anticipated and experienced 40 cm H2O/L/sec inspiratory breathing loads during fMRI. PSU exhibited lower left dorsolateral prefrontal cortex and inferior frontal gyrus (IFG) activation than DSU and CTL across trials. Greater lifetime drug use due to stimulants was also linked to lower activation in these regions. In addition, PSU displayed lower right IFG and insula activation during breathing load than DSU and CTL. Findings suggest that transition to stimulant use disorders is marked by weakened attentional salience of aversive stimuli. Descriptors: fMRI/PET/MRI, Interoception, Substance abuse
Gaming in the Classroom: An Innovative Way to Teach Factorial Designs.

This study tested the effectiveness of video game use for instruction of factorial designs in a research methods course. Students designed and conducted a mini study, playing Dance, Dance, Revolution, using video game scores as the dependent variable. A mixed-design analysis of variance revealed a significantly greater increase from pretest to posttest in content knowledge in the Wii activity condition compared to lecture-only and no-content control conditions. Implementing this nontraditional teaching method engaged students and increased knowledge of factorial designs in a research method course.
Cognitive Domains and Trajectories of Functional Independence in Nondemented Elderly Persons

Background. Cognitive impairment in general is known to predict functional disability, but it is not clear whether performance on specific cognitive domains predicts future disability trends among nondemented elderly persons. Methods. In a representative elderly community-based cohort over up to 10 years of follow-up, we examined predictors of longitudinal trajectories in ability to perform Instrumental Activities of Daily Living (IADL) among nondemented elderly persons. We used trajectory analyses to identify homogeneous groups with respect to trends over time in the numbers of IADL disabilities and their association with baseline demographics, social engagement, depression, physical well-being, and general and domain-specific cognitive functions. We excluded from these analyses those individuals found to have dementia at baseline or at any time during follow-up. Results. Trajectory analysis revealed three homogeneous latent groups which we characterized as No Decline (no decline in abilities to perform IADL tasks over the course of study), Moderate Decline (some functional decline), and Sharp Decline (steep functional decline followed by death). Compared to the Sharp Decline group, the No Decline group was associated with higher baseline functions in all cognitive domains, and the Moderate Decline group was associated with higher baseline functions in all cognitive domains except psychomotor speed and naming. The Moderate and No Decline groups did not differ on any cognitive measure. Conclusion. Among community dwelling elderly persons who remained free from dementia throughout the study, poorer scores in all cognitive domains predicted sharp functional decline followed by death.
Influence of Calorie Restriction on Measures of Age-Related Cognitive Decline: Role of Increased Physical Activity

Controversy exists as to whether lifelong 40% calorie restriction (CR) enhances, has no effect on, or disrupts cognitive function during aging. Here, we report the effects of CR versus ad-lib feeding on cognitive function in male Brown Norway × Fisher344 rats across a range of ages (8 – 38 months), using two tasks that are differentially sensitive to age-related cognitive decline: object recognition and Morris water maze (MWM). All ages performed equally in object recognition, whereas, as a group, CR rats were impaired. In contrast, there was an age-related impairment in the MWM that was attenuated by CR as measured by time in proximity with and latency to reach the platform. Distance to the platform, a more sensitive measure, was not affected by CR. Finally, CR resulted in an overall increase in physical activity, one of several behavioral confounders to consider in the interpretation of cognitive outcomes in both tasks .
Cell Cycle-Dependent Differences in Nuclear Pore Complex Assembly in Metazoa

In metazoa, nuclear pore complexes (NPCs) assemble from disassembled precursors into a reforming nuclear envelope (NE) at the end of mitosis and into growing intact NEs during interphase. Here, we show via RNAi-mediated knockdown that ELYS, a nucleoporin critical for the recruitment of the essential Nup107/160 complex to chromatin, is required for NPC assembly at the end of mitosis but not during interphase. Conversely, the transmembrane nucleoporin POM121 is critical for the incorporation of the Nup107/160 complex into new assembly sites specifically during interphase. Strikingly, recruitment of the Nup107/160 complex to an intact NE involves a membrane curvature-sensing domain of its constituent Nup133, which is not required for postmitotic NPC formation. Our results suggest that in organisms with open mitosis, NPCs assemble via two distinct mechanisms to accommodate cell cycle-dependent differences in NE topology.
The effects of interstimulus interval on event-related indices of attention: an auditory selective attention test of perceptual load theory.

Abstract Objective We examined the impact of perceptual load by manipulating interstimulus interval (ISI) in two auditory selective attention studies that varied in the difficulty of the target discrimination. Methods In the paradigm, channels were separated by frequency and target/deviant tones were softer in intensity. Three ISI conditions were presented: fast (300 ms), medium (600 ms) and slow (900 ms). Behavioral (accuracy and RT) and electrophysiological measures (Nd, P3b) were observed. Results In both studies, participants evidenced poorer accuracy during the fast ISI condition than the slow suggesting that ISI impacted task difficulty. However, none of the three measures of processing examined, Nd amplitude, P3b amplitude elicited by unattended deviant stimuli, or false alarms to unattended deviants, were impacted by ISI in the manner predicted by perceptual load theory. Conclusions The prediction based on perceptual load theory, that there would be more processing of irrelevant stimuli under conditions of low as compared to high perceptual load, was not supported in these auditory studies. Significance Task difficulty/perceptual load impacts the processing of irrelevant stimuli in the auditory modality differently than predicted by perceptual load theory, and perhaps differently than in the visual modality.
Scalable query rewriting: a graph-based approach

In this paper we consider the problem of answering queries using views, which is important for data integration, query optimization, and data warehouses. We consider its simplest form, conjunctive queries and views, which already is NP-complete. Our context is data integration, so we search for maximally-contained rewritings. By looking at the problem from a graph perspective we are able to gain a better insight and develop an algorithm which compactly represents common patterns in the source descriptions, and (optionally) pushes some computation offline. This together with other optimizations result in an experimental performance about two orders of magnitude faster than current state-of-the-art algorithms, rewriting queries using over 10000 views within seconds.
Social organization and foraging success in Lasius neoniger (Hymenoptera: Formicidae): behavioral and ecological aspects of recruitment communication

Live, moribund, or dead arthropods are gathered by Lasius neoniger through individual and social retrieval. 85% of the total biomass of prey (fresh weight) in the diet is cooperatively retrieved by groups of workers. Short-and long-range chemical recruitment signals coordinate cooperative foraging. Stort-range recruitment of workers to assist in the retrieval or defense of prey is achieved by simultaneous discharge of hindgut material and poison gland secretion. In long-range recruitment, workers discovering prey deposit a trail of hindgut material while returning to the nest. Hindgut pheromone both stimulates nestmates to leave the nest and orients them to the food source. Colony response is adjusted according to prey weight. Group retrieval of prey follows after a sufficient number of foragers have been recruited to move the prey. Rapid prey movement decreases the exposure of food sources to neighboring conspecific and interspecific competitors. The ability to move prey rapidly is limited to prey on the order of 130 mg or less in weight. The probability of interference during foraging and resource loss to competitors increases with increasing prey size, but the probability of loss is significantly less than the probability of interference for intermediate size prey (∼20 mg), which can be moved quickly. The foraging and recruitment behaviors of Lasius neoniger appear to have a prey size-dependent effectiveness which results in greater foraging success on prey of a relatively narrow size range above those prey that can be retrieved by solitary foragers.
Active and Hybrid Modelocking of a High Power (100 mW) Monolithic Semiconductor Laser at 1550 nm

We report on the generation of stable optical pulses from an electrically pumped semiconductor laser via active and hybrid modelocking. Output powers as high as 108 mW and pulse widths of 8 ps were obtained.
Iatrogenic effects of psychosocial interventions: treatment, life context, and personal risk factors

Between 7% and 15% of individuals who participate in psychosocial interventions for substance use disorders may be worse off after treatment than before. Intervention-related predictors of iatrogenic effects include lack of bonding; lack of goal direction and monitoring; confrontation, criticism, and high emotional arousal; models and norms for substance use; and stigma and inaccurate expectations. Life context and personal predictors include lack of support, criticism, and more severe substance use and psychological problems. Ongoing monitoring and safety standards are needed to identify and counteract adverse consequences of intervention programs.
Minimally Invasive Unicompartmental Knee Arthroplasty Using Intramedullary Femoral Alignment

Unicompartmental arthroplasty of the knee has increased in popularity as of late given an increased number of reports showing improved outcomes, the development of less invasive surgical techniques, and a better understanding of appropriate patient selection. Optimal patients for this procedure include those with noninflammatory arthritis affecting the medial or lateral tibiofemoral compartment, angular deformity of less than 15°, a flexion contracture of less than 10°, flexion of at least 90°, and clinical symptoms isolated to the affected joint line. This article describes the surgical technique that we currently use for performing unicompartmental arthroplasty of the knee with intramedullary alignment for preparation of the femoral component.
Exploration of disorder in protein structures by X‐ray restrained molecular dynamics

Conformational disorder in crystal structures of ribonuclease-A and crambin is studied by including two indepen- dent structures in least-squares optimizations against X-ray data. The optimizations are car- ried out by X-ray restrained molecular dynam- ics (simulated annealing refinement) and by conventional least-squares optimization. Start- ing from two identical structures, the optimiza- tions against X-ray data lead to significant de- viations between the two, with rms backbone displacements of 0.45 hi for refinement of ribo- nuclease at 1.53 hi resolution, and 0.31 hi for crambin at 0.945 hi. More than 15 independent X-ray restrained molecular dynamics runs have been carried out for ribonuclease, and the dis- placements between the resulting structures are highly reproducible for most atoms. These include residues with two or more conforma- tions with significant- dihedral angle differ- ences and alternative hydrogen bonding, as well as groups of residues that undergo dis- placements that are suggestive of rigid-body li- brations. The crystallographic R-values ob- tained are = 13%, as compared to 15.3% for a comparable refinement with a single structure. Least-squares optimization without an inter- vening restrained molecular dynamics stage is sufficient to reproduce most of the observed displacements. Similar results are obtained for crambin, where the higher resolution of the X- ray data allows for refinement of uncon- strained individual anisotropic temperature factors. These are shown to be correlated with the displacements in the two-structure refine- ments.
Evaluation of the Syva ETS® Plus Urine Drug and Serum Ethanol Analyzer

The Syva ETS is an automated system designed for analysis of drugs of abuse in urine. Recently, the Syva Company has upgraded this system to the ETS Plus, which is capable of analyzing ethanol in urine, serum, or plasma. We evaluated the new ETS Plus for urine screening of barbiturates, benzodiazepines, cocaine metabolite, opiates, and phencyclidine. Results of 505 patient sample assays obtained by ETS Plus were compared with those of ETS. There were only four discrepant results which had absorbance rates close to the low calibrator cutoff values. The within-run precision of the ETS Plus Ethyl Alcohol Assay yielded a CV of 2.6% at a target value of 1.00 g/L (1.06 +/- 0.03 g/L, n = 32) and a CV of 3.2% at a target value of 0.40 g/L (0.42 +/- 0.01 g/L, n = 30). The linear regression analysis of 30 patient serum ethanol results by the ETS Plus and by gas chromatography yielded y = 0.939 x + 0.03 g/L. The software modifications in the new ETS Plus allow the accurate quantitation of ethanol in serum and reliable detection of drugs of abuse within the same batch.
ON THE CONVERGENCE OF COMPUTATIONAL AND DATA GRIDS

Great advances in high-performance computing have given rise to scientific applications that place large demands on software and hardware infrastructures for both computational and data services. With these trends the necessity has emerged for distributed systems developers that once distinguished between these elements to acknowledge that indeed computational and data services are tightly coupled and need to be addressed simultaneously. In this article, we compile and discuss several strategies and techniques, like co-scheduling and co-allocation of computational and data services, dynamic storage capabilities, and quality-of-service, that can be used to help resolve some of the aforementioned issues. We present our interactions with a distributed computing system, NetSolve, and a Distributed Storage Infrastructure, IBP, as a case study of how some of these techniques can be effectively deployed and offer experimental evidence from early prototypes that validate our motivation and direction.
Concurrent capecitabine and upper abdominal radiation therapy is well tolerated

We retrospectively evaluated acute toxicity in 88 patients that were treated with capecitabine and concurrent radiotherapy to the upper abdomen. These patients included 28 (32%) with pancreatic adenocarcinoma, 18 (20%) with cholangiocarcinoma, 11 (13%) with ampullary carcinoma, 11 (13%) with other primary tumors, 14 (16%) with liver metastases, and 6 (7%) with metastases at other sites. The median dose of radiotherapy was 45 Gy (range 30–72 Gy). The median dose of capecitabine was 850 mg/m2 twice daily, with 77% receiving 800–900 mg/m2 twice daily. The highest grade of acute toxicity was Common Terminology Criteria (CTC) grade 0 in 5 (6%), grade 1 in 60 (68%), grade 2 in 18 (20%), and grade 3 in 5 (6%) patients. No patient had CTC grade 4 toxicity. The most common grade 2 toxicities were nausea, hand-foot syndrome, fatigue, anorexia and diarrhea. The grade 3 toxicities included nausea, vomiting and fatigue. Three patients (3%) required hospitalization due to grade 3 acute toxicity. Capecitabine was interrupted, discontinued or given at an adjusted dose in 13 (15%) patients because of acute toxicity. Therefore, capecitabine and concurrent radiotherapy to the upper abdomen appears to be well tolerated. Capecitabine may serve as an alternative to bolus or infusional 5-FU during chemoradiation for upper gastrointestinal malignancies.
Optimal design of corneal refractive surgery

A methodology is described for the design of radial keratotomy procedures with elliptical optic zones. By coupling a transversely isotropic finite-element model of the cornea to an optical model of the eye and applying optimization techniques, an approach is developed that allows the correction of a patient's myopia and astigmatism. An example, based on measured corneal geometry, illustrates the method for an eight-incision procedure. >
Active-region-cutout-enclosed-layout-transistor device applications in electronics

ARC technique was developed and latter a HBD ELT was modified with ARCs. The new MOSFET was called ARCELT, which contains three electrodes and thus it became a compound MOSFET having three transistors within it. Relationship between transistors in ARCELT and ARCs is established. The effective area of each transistor reduced to almost 33% of ELT. Some special application techniques of ARCELT in electronic circuits are studied and implemented. Technique to calculate and control device aspect ratio, W/L is found to approximate the value. Special technique is needed to make equivalent device of the ARCELT for SPICE circuit simulation. ARCELT reduces electronic circuit's size; thus saves silicon space and improves IC's design density.
What Determines Migrant Workers’ Life Chances in Contemporary China? Hukou, Social Exclusion, and the Market:

It is widely believed that household registration (hukou) continues to play a fundamental role in determining migrant workers’ life chances in contemporary China. This article contends, on the contrary, that the importance of hukou has declined substantially, and that migrant workers’ life chances would not be significantly improved even if China were to abolish the hukou system. Based on an investigation of migrant workers in Beijing and Chifeng City in Inner Mongolia, the author shows that in addition to hukou, two other mechanisms—social exclusion and the market—also limit migrant workers’ life chances. Moreover, it is not hukou but social exclusion and market resources that most concern the majority of migrant workers when they strive to find a better job, move up the social ladder, and secure opportunities to settle in the city.
SERS Aptatags : New Responsive Metallic Nanostructures for Heterogeneous Protein Detection by Surface Enhanced Raman Spectroscopy

We report here "aptatags," which consist of aptamer-modified silver nanoparticles (NPs) held together by an optical reporter. It is possible to use these materials to design a heterogeneous method for protein identification that takes advantage of the Raman signal enhancement by metallic nanostructures and the recognition capabilities of aptamers. Aptatags are formed by linking silver NPs with an organic dithiol molecule, followed by surface modification with thiolated single-stranded DNA (ssDNA) corresponding to the sequence of the aptamer probe. The sensing surface involves a silver layer containing the thiolated capturing aptamer and mercaptohexadecanoic acid to minimize nonspecific binding. The overall process provides excellent selectivity and sensitivity. Detailed characterization of the sensing surface by SERS maps and atomic force microscopy was carried out to understand how structural features lead to signal generation.
Modeling of risk-based inspection, maintenance and life-cycle cost with partially observable Markov decision processes

The utilization of Markov decision processes as a sequential decision algorithm in the management actions of infrastructure (inspection, maintenance and repair) is discussed. The realistic issue of partial information from inspection is described, and the classic approach of partially observable Markov decision processes is then introduced. The use of this approach to determine optimal inspection strategies is described, as well as the role of deterioration and maintenance for steel structures. Discrete structural shapes and maintenance actions provide a tractable approach. In-service inspection incorporates Bayesian updating and leads to optimal operation and initial design. Finally, the concept of management policy is described with strategy vectors.
Filtered multitone modulation for very high-speed digital subscriber lines

A filter-bank modulation technique called filtered multitone (FMT) and its application to data transmission for very high-speed digital subscriber line technology are described. The proposed scheme leads to significantly lower spectral overlapping between adjacent subchannels than for known multicarrier techniques such as discrete multitone (DMT) or discrete wavelet multitone. FMT modulation mitigates interference due to echo and near-end crosstalk signals, and increases the system throughput and reach. Signal equalization in an FMT receiver is accomplished in the form of per-subchannel symbol-spaced or fractionally spaced linear or decision-feedback equalization. The problem of channel coding for this type of modulation is also addressed, and an approach that allows combined removal of intersymbol-interference via precoding and trellis coding is described. Furthermore, practical design aspects regarding filter-bank realization, initial transceiver training, adaptive equalization, and timing recovery are discussed. Finally, simulation results of the performance achieved by FMT modulation for very high-speed digital subscriber line systems, where upstream and downstream signals are separated by frequency-division duplexing, are presented and compared with DMT modulation.
Eastern North Pacific Hurricane Season of 1991

Abstract The 1991 eastern North Pacific hurricane season is summarized. The season comprised 16 tropical cyclones, consisting of 10 hurricanes, 4 tropical storms, and 2 tropical depressions.
Is costly punishment altruistic? Exploring rejection of unfair offers in the Ultimatum Game in real-world altruists

In the Ultimatum Game (UG), incurring a cost to punish inequity is commonly termed altruistic punishment. This behaviour is thought to benefit others if the defector becomes more equitable in future interactions. However, clear connections between punishment in the UG and altruistic behaviours outside the laboratory are lacking. We tested the altruistic punishment hypothesis in a sample of extraordinarily altruistic adults, predicting that if punishing inequity is predictive of altruism more broadly, extraordinary altruists should punish more frequently. Results showed that punishment was not more prevalent in extraordinary altruists than controls. However, a self-reported altruism measure previously linked to peer evaluations but not behaviour, and on which extraordinary altruists and controls did not differ, did predict punishment. These findings support suggestions that altruistic punishment in the UG is better termed costly punishment and may be motivated by social, but not necessarily prosocial, concerns. Results also support prior suggestions that self-reported altruism may not reliably predict altruistic behaviour.
Family-Based HIV and Sexually Transmitted Infection Risk Reduction for Drug-Involved Young Offenders: 42-Month Outcomes

This study tested a family-based human immunodeficiency virus (HIV)/sexually transmitted infection (STI) prevention approach integrated within an empirically supported treatment for drug-involved young offenders, Multidimensional Family Therapy (MDFT). A randomized, controlled, two-site community-based trial was conducted with 154 youth and their parents. Drug-involved adolescents were recruited in detention, randomly assigned to either MDFT or Enhanced Services as Usual (ESAU), and assessed at intake, 3, 6, 9, 18, 24, 36, and 42-month follow-ups. Youth in both conditions received structured HIV/STI prevention in detention and those in MDFT also received family-based HIV/STI prevention as part of ongoing treatment following detention release. Youth in both conditions and sites significantly reduced rates of unprotected sex acts and STI incidence from intake to 9 months. They remained below baseline levels of STI incidence (10%) over the 42-month follow-up period. At Site A, adolescents who were sexually active at intake and received MDFT showed greater reduction in overall frequency of sexual acts and number of unprotected sexual acts than youth in ESAU between intake and 9-month follow-ups. These intervention differences were evident through the 42-month follow-up. Intervention effects were not found for STI incidence or unprotected sex acts at Site B. Intensive group-based and family intervention in detention and following release may reduce sexual risk among substance-involved young offenders, and a family-based approach may enhance effects among those at highest risk. Site differences in intervention effects, study limitations, clinical implications, and future research directions are discussed.
The D4M Measure

A measure combining Noble's m meaningfulness scale and Osgood's D4 measure is presented. Its potential as a measurement of meaning is discussed.
Development of Novel Internal Cooling Geometry for Gas Turbine Blades

Revolutionary cooling design technology has played a huge role in increasing the thermal efficiency and power output of gas turbines. With the implementation of this technology in gas turbine blades, the turbines can now produce inlet temperatures beyond the maximum temperatures that the structural materials from which the blades are made out of can withstand. The turbine blades can be cooled using internal cooling, which uses rib turbulators to enhance the rate of heat transfer. A geometry consisting of a rectangular channel with a single parameterized rib geometry was developed and investigated computationally. The main aim was to determine the feasibility of optimizing a rectangular rib to increase the heat transfer and decrease the loss of pressure. The Reynolds number used for testing was the same throughout the study and was 21, 500. Limitations of conventional manufacturing methods to develop the optimized, complex geometries were ignored, with the intention of using 3D printing to experimentally validate complex channel geometries in the near future. Different methods of parameterizing the rib showed the possibility of optimizing rib geometries to increase their thermal efficiency.
Evaluation of cell culture as a screening technique for determining fall armyworm (Lepidoptera: Noctuidae) resistance in bermudagrass

Cell cultures of bermudagrass, Cynodon dactylon (L.) Pers., were evaluated for potential use in screening for fall armyworm, Spodoptera frugiperda (J. E. Smith), resistance. Techniques were developed to obtain aseptic larvae that would develop normally while feeding on bermudagrass callus. Egg mass sterilization in 0.79% sodium hypochlorite for 4 min was optimal. Callus developed from the bermudagrass varieties ‘Coastal,’ ‘Crazer,’ and ‘Tifton 292,’ and the selection OSU 71 × 6-7 was fed to fall armyworm. Differences among varieties were found in callus feeding experiments; however, the specific resistance rating was not the same as that obtained in earlier leaf screening tests. Differences also were found among varieties in the callus preference tests. The ratings were not similar to those obtained in earlier leaf preference tests. Cell culture does not appear to offer any additional advantages over existing methods for screening for fall armyworm resistance in bermudagrass.
Association between chronic hepatitis C and hepatitis C/HIV co-infection and the development of colorectal adenomas.

Background: Limited knowledge exists about the effects chronic hepatitis C virus (HCV) infection has in the development of colorectal adenomas (CRA). Data regarding the association between chronic HIV infection and the development of CRA is scarce as well. We aim to determine if there is an association between the development of CRA and chronic infection with HCV and HCV/HIV co-infection. Methods: From July 1, 2009 to March 31, 2011 a total of 2,051 patients that underwent colonoscopy were included in our study. The population was divided into 2 study groups: those patients who tested positive for HCV, and HCV/HIC; the control groups consisted of patients whose results were negative. Fisher’s exact χ 2 test for categorical variables and t -test for continuous variables was used to analyze data between groups. Logistic regression was performed to obtain odds ratios (OR). Results: CRA detection was higher in the HCV than in the control group (26.3% vs. 20.2%; P=1.02); Likewise, the incidence of CRA (25.5% vs. 20.8%; P=0.63) was higher in the co-infection group. However, in both of the study groups this difference was non-statistical. Conclusions: A higher detection rate of CRP was seen in the HCV population; however, it failed to reach statistical significance. Whether co-infection with HIV/HCV increases the incidence of CRA and/or has a synergistic effect remains to be determined. The small sample population and the retrospective single institution nature of our study, as well as other confounders may have contributed to our negative results. However, our findings question whether HCV and HIV/HCV co-infected patients will benefit from screening colonoscopy at an earlier age. This issue merits further investigation with a large multi-center prospective study.