cssi/SciSciGPT-SciSciNet huggingface dataset:
Calculation of molecular polarizabilities for large systems within the random phase approximation

Abstract We examine the static-field molecular polarizability from a sum over uncoupled Hartree—Fock states (SOS), the Tamm—Dancoff approximation (TDA), and the random phase approximation (RPA). An efficient algorithm for the inversion of the TDA or RPA matrix is outlined, which avoids matrix diagonalization and explicit construction of matrix elements over states, allowing for rapid calculation of molecular polarizabilities. The extension of the method is straightforward; third-order hyperpolarizability is developed as an example. Test cases are reported for molecules represented by an intermediate neglect of differential overlap (INDO) wavefunction.
A Heavy-Atom Isotope Effect Study of the Hydrolysis of Formamide

Isotope effects were measured for all the atoms at the reactive center of formamide during hydrolysis in dilute alkaline solution. Most of the reaction proceeds by a pathway that is first-order in ...
Modulation of Kv1 Voltage-Gated Potassium Channels by Sodium Channel Beta Subunits

Sodium channel beta subunits (SCN1b-SCN4b) are integral members of voltage-gated sodium channel (VGSC)-complexes at nodes of Ranvier, axon initial segments, and cardiac intercalated disks, where they modulate the function of VGSCs. Mutations of these genes results in neurological (e.g. epilepsy) and cardiovascular (e.g. Brugada syndrome) diseases. Here we report that SCN1b modulates the Kv1-subfamily of K+ channels, each in a unique fashion, when co-expressed in Xenopus oocytes or mammalian cells (Table). SCN2b, but not SCN3b, has similar modulatory properties. Pull-down experiments show that SCN1b is physically coupled to Kv1 channels. Using chimeras of SCN1b and the myelin Po protein, we demonstrate that the external domain of SCN1b is essential for channel modulation. Two known epilepsy-causing mutations in the Ig-domain of SCN1b, R85C and C121W, disrupt Kv1 channel-modulation. Thus, sodium channel beta subunits may regulate action potential firing and propagation in normal and diseased conditions by modulating the function of both VGSCs and Kv channels.
Development of Effective Solvent Modifiers for the Solvent Extraction of Cesium from Alkaline High‐Level Tank Waste

Abstract A series of novel alkylphenoxy fluorinated alcohols were prepared and investigated for their effectiveness as modifiers in solvents containing calix[4]arene‐bis‐(tert‐octylbenzo)‐crown‐6 for the extraction of cesium from alkaline nitrate media. The structure of the fluorinated portion of the modifier influences the chemical stability, and a modifier that contained a terminal 1,1,2,2‐tetrafluoroethoxy group was found to decompose following long‐term exposure to warm alkaline solutions. However, replacement of the tetrafluoroethoxy group with a 2,2,3,3‐tetrafluoropropoxy group led to a series of modifiers that possessed the alkaline stability required for a solvent extraction process. Within this series of modifiers, the structure of the alkyl substituent (tert‐octyl, tert‐butyl, tert‐amyl, and sec‐butyl) of the alkylphenoxy moiety was found to have a profound impact on the phase behavior of the solvent in liquid–liquid contacting experiments, and hence on the overall suitability of the modifier fo...
Issues in the genetics of social behavior.

The genetics of social behavior presents special difficulties because the phenotype is the product of an interaction between two or more individuals. Social interactions are of two kinds: (1) cooperative, in which the probabilities of transmission of the genes of all participants are similarly affected by the outcome, and (2) agonistic, in which the probabilities for the participants are affected in opposite directions. The latter are of particular interest for evolutionary theory. Three major types of designs for measuring social behavior in genetic experiments are available: (1) homogeneous sets, (2) standard tester and (3) tester panel representing a reference population. The advantages and limitations of each method are discussed. Important areas for future development include the relationship of genetic and experiential factors in early life to social status as an adult and the extension of the genetic analysis of social behavior to natural populations.
Dental outcomes of preterm infants

Abstract Follow-up of preterm infants has focused primarily on neurodevelopmental outcomes. However, the long-term effects of prematurity involve multiple systems. Dental health issues and problems related to prematurity including problems of enamel defects, delayed eruption and tooth size, and oral defects associated with oral endotracheal intubation of preterm infants are the focus of this article. Implications for long-term care and follow-up of dental concerns are also discussed.
Effect of sequestering and reducing agents on stabilization of plant dehydrogenase activity in crude extracts

Abstract Initial and long-term loss of dehydrogenase activity in crude extracts of herbaceous, and, especially, of woody tissue occur partially because of the inhibitory influence of phenolics. In addition, oxidation of phenols by phenolase results in subsequent enzyme oxidation. Preparation of crude extracts with insoluble PVP, in comparison with anion exchange resins or celluloses, best decreases phenolic concentrations and least decreases dehydrogenase activity in crude extracts. However, removal of phenolics during tissue homogenation does not maximize dehydrogenase activity. Therefore, other methods must be used to stabilize dehydrogenase activity. Sodium ethylenediaminetetracetic acid or sodium azide promoted activity of both purified mushroom and crude plant phenolases. Quinone reduction with diethyldithiocarbamate (DIECA) or mercaptoethanol eliminated apparent phenolase activity, but DIECA inhibited dehydrogenase activity. Elevated concentrations of EtSH diminished initial decay of dehydrogenase activity. Combined use of EtSH and insoluble PVP further stabilized 6-phosphogluconate, glucose 6-phosphate, and malate dehydrogenase, but not glyceraldehyde 3-phosphate dehydrogenase.
Anodic hydroxylation of 1-carbomethoxy-1,2,3,4-tetrahydrocarbazoles

Abstract 1-Carbomethoxy-1,2,3,4-tetrahydrocarbazole (1) and its 7-methoxy derivative (2) were oxidized at carbon felt anodes in acetonitrile containing 0.2 M LiClO 4 and 2-17 M water at potentials on the rising portion of the primary oxidation peak to yield products formed by formal substitution of the C-1 H atom with hydroxide. The resulting 1-hydroxy-l-carbomethoxy-1,2,3,4-tetrahydrocarbazole and its 7-methoxy derivative were isolated in 44 and 22% yields, respectively, when sodium bicarbonate was used to control acidity of the medium. Structures were elucidated by NMR, IR, elemental analysis, and mass spectrometry. Voltammetry at carbon-paste and glassy carbon electrodes showed that the oxidations proceed by an ECE or DISPI pathway. The rate-determining step is the reaction of water with a cation radical electrochemically generated from 1 or 2, involving either proton abstraction or nucleophilic addition.
Self-Perceived Social Acceptance and Peer Social Standing in Children with Aggressive-Disruptive Behaviors.

Examining children's perceptions of their social acceptance in conjunction with others’ ratings of their peer social standing can enhance our understanding of the heterogeneity in children exhibiting disruptive behavior problems. Using a sample of 213 youth rated in the top 31 percent of their class on aggressive–disruptive behaviors, the current study examined the interaction between children's perceptions of their social acceptance and their peer-rated social standing in predicting emotional and behavioral problems. Overall, lower peer-rated social standing was associated with higher levels of antisocial behavior, academic problems, and hyperactivity/inattention. On the other hand, higher self-perceived social acceptance was associated with increased levels of peer-rated fighting at school. For children who were rated as having high social standing among their peers, poorer self-perceived social acceptance was associated with increased oppositional behaviors and conduct problems at home. In addition, children who reported lower self-perceived social acceptance exhibited increased levels of depressive symptoms, even when they were relatively well liked by their peers. The potential implications for working with subgroups of children with aggressive–disruptive behaviors are discussed.
Economics of Offshore IT Outsourcing: An International Trade Perspective

In recent times, offshore outsourcing of Information Technology (IT) products and services, including software development and maintenance activities, has been an issue of much controversy in the United States, with popular sentiment being against outsourcing in the mass media. Is offshore outsourcing really bad for the US economy? If yes, why did so many US companies, including IT companies, start outsourcing to begin with and still continue to do so? For that matter, why doesn’t the federal government simply ban it as a national policy? To provide some possible answers to these questions, this paper examines the issue of offshore outsourcing from the perspectives of international trade theory and the unique cost characteristics of “information goods”.
Intracranial vascular lesions and anatomical variants all residents should know

The purpose of this article is to extensively illustrate pathologically and clinically proven cases of intracranial vascular lesions and variants accumulated at a tertiary referral center. These are organized by normal anatomy and variants, arterial lesions, and venous lesions. High-quality computed tomography, computed tomographic angiography, magnetic resonance imaging, magnetic resonance angiography, 3D reconstruction, and angiographic figures illustrate the findings and complement a succinct review of this category of disease. Some cases are accompanied by histopathologic correlation. The reader of this article will gain or refresh information about intracranial vascular lesions and variants for clinical practice and for preparation for certifying examinations and clinical practice. The text and figures aid recognition of these entities and emphasize anatomy, clinical context, and differential diagnosis. These can aid the radiologist in arriving at the appropriate diagnosis.
Formation of volatile sulfur compounds in salt marsh sediment as influenced by soil redox condition

Abstract The effect of soil redox condition on the production or formation of gaseous sulfur compounds in anaerobic salt marsh soil was studied. Marsh soil from a Louisiana Gulf Coast Spartina alterniflora salt marsh was incubated under controlled soil redox potentials ranging from +220 mV to −240 mV, which represent a range in anaerobic soil conditions. The gas phase production of hydrogen sulfide, methanethiol, dimethyl sulfide, carbonyl sulfide, and carbon disulfide as influenced by soil redox level was quantified. Total reduced sulfur gases increased with decreasing soil redox potential. Percentage composition of the individual sulfur gases varied depending on soil redox level. Methanethiol, dimethyl sulfide and carbon disulfide progressively increased with decrease in soil redox level. A major increase in hydrogen sulfide was measured at redox potential of −100 mV and below. Likewise a significant increase in carbonyl sulfide was observed between −70 and −100 mV. Results show that intensity of soil reduction or degree of anaerobiosis is important in the production of these gaseous sulfur compounds.
Use of the Modified Mini-Mental State Examination With Children:

The validity and reliability of the modified version of the Mini-Mental State Examination with children was examined. The Modified Mini-Mental State Examination was administered to 99 children between 4 and 12 years of age (45 males and 54 females) to assess expected scores for nonclinical children and with a clinical sample. Concurrent validity was assessed through correlations of Modified Mini-Mental State Examination scores with Wechsler Intelligence scores and Child Behavior Checklist scores. The Modified Mini-Mental State Examination was administered to 26 children on two occasions to determine test-retest reliability. Means and standard deviations of scores are reported by age and grade level. Test-retest reliability coefficients were positively significant. For the nonclinical sample, Modified Mini-Mental State Examination scores were significantly and positively correlated with Verbal IQ and Child Behavior Checklist scores. Modified Mini-Mental State Examination scores were significantly correlated with Verbal IQ scores in the total and clinical samples.
Optoelectronic measurement of x-ray synchrotron pulses: A proof of concept demonstration

Optoelectronic detection using photoconductive coplanar stripline devices has been applied to measuring the time profile of x-ray synchrotron pulses, a proof of concept demonstration that may lead to improved time-resolved x-ray studies. Laser sampling of current vs time delay between 12 keV x-ray and 800 nm laser pulses reveal the ∼50 ps x-ray pulse width convoluted with the ∼200 ps lifetime of the conduction band carriers. For GaAs implanted with 8 MeV protons, a time profile closer to the x-ray pulse width is observed. The protons create defects over the entire depth sampled by the x-rays, trapping the x-ray excited conduction electrons and minimizing lifetime broadening of the electrical excitation.
Detection of human papillomavirus infection in trichilemmomas and verrucae using in situ hybridization.

Background: It is hypothesized that trichilemmomas are ‘burned out’ verrucae. By performing in situ hybridization using HPV type-specific probes, we explored this concept. Methods: Verrucae vulgaris and plantaris were positive controls, and inverted follicular keratoses (IFKs) were negative controls. Additionally, all lesions were tested for HPV genital types (low and high risk). Results: We analyzed 9 trichilemmomas, 20 verrucae vulgaris, 8 verrucae plana, 3 verrucae plantaris and 6 IFKs. All trichilemmomas were negative for HPV types 1, 2 and genital types. Conversely, 9/20 verrucae vulgaris, 2 verrucae plantaris, and 1 verruca plana were positive for HPV type 2. Among HPV-2 positive lesions, 2/2 verrucae plantaris and 1 verruca vulgaris (chin) were strongly positive for genital-type HPV. One verruca plana (shin) was positive for genital-type HPV only. All 6 IFKs were HPV negative. Conclusions: Using HPV type 1 and 2-specific probes and mixed genital-type probes, we were unable to detect HPV in trichilemmomas. This suggests that HPV-1, HPV-2 and low and high risk genital-type HPVs are not involved in the histogenesis of trichilemmoma. We also showed that genital HPV types could be present in non-genital verrucae.
783-2 Follow-up After Coil Occlusion of Patent Ductus Arteriosus

To define the prevalence and fate of residual shunts after Gianturco coil occlusion of patent ductus arteriosus (PDA), 50 pts were followed prospectively after PDA coil occlusion at CS Mott Children's Hospital between 10/92 and 8/94. Evidence of residual shunt was sought on immediate post-coil aortic angiograms and on color-flow Doppler echocardiograms performed in follow-up. Survival analysis of residual PDA shunting was analyzed by the Kaplan-Meier method, and the effect of minimum PDA angiographic size on residual shunting was determined by ANOVA. The 50 pts, median age 4.4 years (range 0.4-62), have been followed for ≤ 20 months (mean ± SD: 8 ± 6). PDA minimum diameter was 1.6 ± 0.8 mm (range 0.5–3.3). Complete PDA occlusion was noted immediately in 29 pts (58%); tiny residual shunts closed spontaneously 1–20 months after coil occlusion in 12 pts (24%). Tiny residual shunts persisted have undergone a second coil occlusion with immediate complete closure. Survival analysis (graph) estimates 20 month prevalence of residual shunts at 7 ± 6% after 1 coil procedure and 4 ± 4% after all coil procedures. PDA diameter significantly influenced residual shunting, being 1.3 ± 0.7 mm in pts with immediate closure, 1.9 ± 0.8 mm with spontaneous shunt closure in follow-up, and 2.0 ± 0.9 mm with persistent residual shunt or second coil placement (p = 0.02). Download : Download high-res image (90KB) Download : Download full-size image Conclusions 1) Survival analysis estimates 93% complete PDA closure after a single coil occlusion procedure; 2) Residual shunts are associated with larger PDA diameter, and most close spontaneously; and 3) When necessary, a second coil occlusion has been uniformly successful.
Effects of ventrolateral medullary NMDA-receptor antagonism on biogenic amines and pressor response to muscle contraction.

Abstract Effects of d (−)2-amino-7-phosphonohepatanoic acid (AP-7), an N -methyl- d -aspartic acid (NMDA) receptor antagonist, administered into rostral ventrolateral medulla (RVLM) on changes in mean arterial pressure (MAP), heart rate (HR), extracellular levels of serotonin (5-HT), dopamine (DA), and norepinephrine (NE) during static muscle contraction were investigated in anesthetized rats. Tibial nerve stimulation-evoked muscle contraction increased MAP and HR by 25±3 mmHg and 29±4 bpm, respectively. Microdialysis of AP-7 (1 μM) into the RVLM for 30 min attenuated the contraction-evoked cardiovascular responses with similar developed muscle tensions, without baseline HR or blood pressure changes. Administration of AP-7 into the caudal ventrolateral medulla had no effect on MAP or HR responses during contraction. Muscle contraction increased extracellular 5-HT in the RVLM by 144±35%, DA by 104±15% and NE by 62±12%. Perfusion of AP-7 for 30 min into the RVLM attenuated contraction-evoked increases in monoamines, concomitant to attenuating cardiovascular responses. Results demonstrate that NMDA-receptor blockade within the RVLM, but not the CVLM, inhibits cardiovascular responses during muscle contraction. Furthermore, NMDA receptor antagonism within the RVLM results in a decrease of biogenic amine release during muscle contraction, suggesting that extracellular biogenic amine concentrations are modulated by NMDA receptors.
Bioeconomics and the survival model: The economic lessons of evolutionary biology

Public choice has made important strides in the last 25 years. The rational choice model, however, has left some important unanswered questions, such as why people vote. Since this paper is about the next 25 years of public choice, I propose an alternative to the old rational choice model. I propose that “rational choice” be replaced with a “survivor model” of biology, which incorporates rational choice as a special case. The survival model includes all behavior, both cognitive and non cognitive, which improves economic fitness. It incorporates, for example, genetics, hormones and environmentally driven behavior.
Dechlorination of PCDD and PCDF sorbed on activated carbon using the KPEG reagent

Abstract A chemical reagent (KPEG) produced by reacting potassium hydroxide with a polyethylene glycol formulation, has been employed to effectively dechlorinate polychlorinated dibenzo-p-dioxins (PCDD) and polychlorinated dibenzofurans (PCDF) sorbed on spent activated carbon which had been utilized for cleanup of aqueous leachate from a hazardous waste landfill. Batch reactor studies conducted in the laboratory demonstrated that direct treatment of contaminated carbon with KPEG for periods up to eight hours at temperatures ranging from 100–145°C, resulted in complete dechlorination of more than 95% of most of the tetra-through octachlorinated CDD/CDF congeners. The direct treatment process was observed to be more effective when water and other low-boiling organic components were removed from the reaction mixture by distillation, either prior to or during the treatment process. In separate experiments, PCDD/PCDF were extracted from samples of the contaminated carbon, and the extract was then treated with KPEG. With this procedure, greater than 99% destruction of all tetra-through octachlorinated PCDD/PCDF was achieved in four hours or less.
Visualization of Blast Waves Created by Exploding Bridge Wires

Blast waves created by small exploding bridge wires are used as a test bed for the development of a particle image velocimetry (PIV) technique that uses polymers, seeded with scattering particles, as dynamic witness plates. Combined with pulsed, incoherent schlieren photography, the PIV method permits visualization of the instantaneous velocity vector field in a plane cutting through the blast wave.
Production of O and H Agglutinins by a Newborn Infant infected with Salmonella St. Paul.

It has been shown previously that newborn infants vaccinated with killed Salmonella organisms produce little or no antibody against the somatic (O) antigen. However, a newborn infant who suffered an illness caused by Salmonella st. paul did produce a high titer of specific O and H agglutinins, both of which were IgM globulins.
Associative asymmetry, availability, and retrieval.

Associative frequency, the ease with which a word comes to mind in free association, is taken as a measure of general response availability. As expected from this view, in both controlled experiments and in reanalyses of previously published correlational data, high associative frequency words were judged to be more familiar and were easier to recall but harder to recognize than low associative frequency words, even with meaningfulness, imagery, length in letters, and frequency excluded as factors. When used as foils in a recognition experiment, high associative frequency words attracted more responses than low associative frequency words. In addition, associative frequency and meaningfulness correlated only moderately and had different patterns of correlations with other variables, suggesting that the number of associations leading to and from a word differ.
Major histocompatibility complex (MHC)‐linked genes affecting development

Genes affecting growth and development which are linked to the major histocompatibility complex have been found in the mouse (t-complex) and in the rat (growth and reproduction complex, grc), and there is some evidence that they also exist in humans. The genes of the t-complex have different effects depending upon the specific combinations involved: skeletal and fertility abnormalities, complete or partial embryonic mortality, high transmission ratios (segregation distortion) in males, high level of linkage disequilibrium with H-2, and suppression of recombination over the adjacent portion of the chromosome. The grc in the homozygous state causes small body size, sterility in the male and reduced fertility in the female, partial embryonic mortality, and a high level of linkage disequilibrium with RT1. It also interacts epistatically with the heterozygous Tal (tail anomaly lethal) gene to cause complete embryonic death. Mice carrying t-haplotypes and rats carrying the grc have an antigen in the male germ cells which cross-reacts very strongly (t-antigen). Suggestive evidence for such genes in humans comes from (1) studies on the relationship between skeletal defects and HLA haplotypes; (2) the association of specific HLA and complement haplotypes with a high transmission ratio in males, linkage disequilibrium among certain HLA and complement specificities and suppression of recombination in some MHC haplotypes; and (3) the lack of homozygotes in an isolated inbreeding population of desert nomads (Kel Kummer Tuaregs). In addition, immunogenetic studies on couples having chronic spontaneous abortions suggest that there is an unusually high incidence of homozygosity for the HLA-D/DR and HLA-A loci in these couples, and this finding is consistent with the presence of linked loci which behave like t or grc.
Systematic studies on the effects of the NMDA receptor antagonist MK-801 on cerebral blood flow and responsivity, EEG, and blood-brain barrier following complete reversible cerebral ischemia

The dose-dependent effects of MK-801, a glutamate receptor antagonist, on changes in CBF, CBF-PaCO2 responsiveness (133Xe clearance), EEG, and blood-brain barrier (methylene blue) were examined after a 15-min period of reversible complete global ischemia induced in halothane-anesthetized cats by occlusion of the vertebral and carotid arteries. Pretreatment with doses of MK-801 of greater than or equal to 0.5 mg/kg had no effect on resting CBF measures and produced a dose-dependent slowing of the dominant EEG frequency. In animals receiving this agent, there was an almost immediate return of baseline EEG patterns upon reinstitution of flow, no hypoperfusion after 2 h of reflow, preservation of CBF and CBF-PaCO2 responsiveness, and maintenance of blood-brain barrier integrity. In contrast, parallel control animals and animals treated with MK-801 at a dose of 0.1 mg/kg exhibited poor recovery based on the above parameters. MK-801 also diminished in a dose-dependent manner the CSF levels of 6-keto-prostaglandin (PG) F1 alpha (stable metabolite of PGI2) and thromboxane (Tx) B2 (stable metabolite of TxA2), which were otherwise elevated in vehicle-treated animals 2 h after reflow. Of particular interest, the CSF TxB2/6-keto-PGF1 alpha ratio in vehicle-treated animals was near 2. In animals pretreated with MK-801, at doses of greater than or equal to 0.5 mg/kg, this ratio was nearly 1. These observations are consistent with a possible triggering role of glutamate release in initiating at least part of the acute sequelae of ischemia. Such release in an electrically silent cell would increase Ca2+ influx and activate free fatty acid metabolism, leading to probable changes in vascular function and changes in blood-brain barrier permeability.
Separation of neural induction and neurulation in Xenopus.

Abstract Cellular interactions with laminin are important for numerous morphogenetic events. In Xenopus, the first of these is neurulation. The integrin α6 subunit mediates an attachment of the cells of the neural plate to the underlying basal lamina. A disruption of this interaction results in embryos that fail to neurulate (T. E. Lallier et al., 1996, Development 122, 2539–2554). Here we provide evidence supporting the specificity of this phenomenon and characterize developmental events as either disrupted or unaffected by a perturbation of α6 integrin expression. First, reduction of α6 integrin expression does not halt mitotic division throughout the embryo, indicating that the neural defects observed are not simply a global perturbation of all developmental processes. Second, a gene associated with dorsal mesoderm formation, brachyury, is expressed normally in α6 integrin-perturbed embryos. Third, the expression of BMP4, noggin, chordin, and follistatin, all of which are critical for neural induction, are at near normal levels. In addition, several genes expressed shortly after neural induction (N-CAM, nrp1, and Xanf1) are not perturbed in nonneurulating embryos. Interestingly, expression of one neural-specific gene (synaptobrevin), which is normally detectable late in neurulation, is abolished in these α6 integrin-perturbed embryos. Furthermore, the spatial expression of several transcripts is expanded in α6 integrin-perturbed embryos (orthodenticle and engrailed). Taken together, these data indicate that while α6 integrin-mediated interactions with laminin are required for neurulation, they are not required for the initial processes of neural induction. However, these cell–extracellular matrix interactions appear to be important in later inductive events and rostrocaudal patterning of the neural tube.
Brain lesions impairing visual and spatial reversal learning in rats: Components of the “general learning system” of the rodent brain

The “general learning system” (GLS) is conceived as an ensemble of brain structures essential for normal acquisition of a wide variety of laboratory tasks. Based upon earlier lesion studies, it was reasoned that the components of the rodent’s GLS could be identified by determining which lesion placements within the rat brain would lead to defective acquisition of a spatial discrimination habit and its reversal as well as a brightness discrimination habit and its reversal. Of the 11 cortical and subcortical (frontal cortex, parietal cortex, occipital cortex, anterior cin-gulate cortex, posterior cingulate cortex, rostral caudoputamen, dorsal hippocampus, mam-miliary bodies, mediodorsal thalamic nucleus, parafascicular nucleus, and substantia nigra) sites investigated in this experiment, only two qualified as components of the GLS—the parafascicular nucleus and the substantia nigra. The possibility that the nigro-parafascicular-striatal complex constitutes a major part of the rodent’s GLS is discussed.
Documents and distributed scientific collaboration

We ask the question: What document infrastructures do scientists build to support their virtual organizing and documenting practices? Cyberinfrastructure (CI) is seen by many as playing a critical role in the future of social, behavioral, and economic sciences (SBE) by enabling innovation and scientific discovery. However, little is known about SBE scientists' distributed collaboration, a vital practice that CI must support for the doing of science. To provide insight into this question we interviewed 12 scientists regarding their work practices as they pursue joint research projects with colleagues from other universities. We identify the most frequently used physical and digital tools for SBE science and collaboration and characterize commonplace scientific practices in this domain with a paradigmatic example.
Defect formation in aqueous environment: Theoretical assessment of boron incorporation in nickel ferrite under conditions of an operating pressurized-water nuclear reactor (PWR)

Abstract A serious concern in the safety and economy of a pressurized water nuclear reactor is related to the accumulation of boron inside the metal oxide (mostly NiFe 2 O 4 spinel) deposits on the upper regions of the fuel rods. Boron, being a potent neutron absorber, can alter the neutron flux causing anomalous shifts and fluctuations in the power output of the reactor core. This phenomenon reduces the operational flexibility of the plant and may force the down-rating of the reactor. In this work an innovative approach is used to combine first-principles calculations with thermodynamic data to evaluate the possibility of B incorporation into the crystal structure of NiFe 2 O 4 , under conditions typical to operating nuclear pressurized water nuclear reactors. Analyses of temperature and pH dependence of the defect formation energies indicate that B can accumulate in NiFe 2 O 4 as an interstitial impurity and may therefore be a major contributor to the anomalous axial power shift observed in nuclear reactors. This computational approach is quite general and applicable to a large variety of solids in equilibrium with aqueous solutions.
Safety of intracoronary infusion of 20 million C-kit positive human cardiac stem cells in pigs.

Background There is mounting interest in using c-kit positive human cardiac stem cells (c-kitpos hCSCs) to repair infarcted myocardium in patients with ischemic cardiomyopathy. A recent phase I clinical trial (SCIPIO) has shown that intracoronary infusion of 1 million hCSCs is safe. Higher doses of CSCs may provide superior reparative ability; however, it is unknown if doses >1 million cells are safe. To address this issue, we examined the effects of 20 million hCSCs in pigs. Methods Right atrial appendage samples were obtained from patients undergoing cardiac surgery. The tissue was processed by an established protocol with eventual immunomagnetic sorting to obtain in vitro expanded hCSCs. A cumulative dose of 20 million cells was given intracoronarily to pigs without stop flow. Safety was assessed by measurement of serial biomarkers (cardiac: troponin I and CK-MB, renal: creatinine and BUN, and hepatic: AST, ALT, and alkaline phosphatase) and echocardiography pre- and post-infusion. hCSC retention 30 days after infusion was quantified by PCR for human genomic DNA. All personnel were blinded as to group assignment. Results Compared with vehicle-treated controls (n=5), pigs that received 20 million hCSCs (n=9) showed no significant change in cardiac function or end organ damage (assessed by organ specific biomarkers) that could be attributed to hCSCs (P>0.05 in all cases). No hCSCs could be detected in left ventricular samples 30 days after infusion. Conclusions Intracoronary infusion of 20 million c-kit positive hCSCs in pigs (equivalent to ~40 million hCSCs in humans) does not cause acute cardiac injury, impairment of cardiac function, or liver and renal injury. These results have immediate translational value and lay the groundwork for using doses of CSCs >1 million in future clinical trials. Further studies are needed to ascertain whether administration of >1 million hCSCs is associated with greater efficacy in patients with ischemic cardiomyopathy.
Case report: esophageal metastasis from breast carcinoma presenting as achalasia.

ABSTRACT Metastatic breast carcinoma to the esophagus most often presents with a midesophageal stricture. Involvement of the gastroesophageal junction by breast carcinoma is distinctly unusual. The authors report the case of a 78-year-old woman who presented with clinical and radiologic features of achalasia secondary to breast carcinoma, metastatic to the gastroesophageal junction. Metastatic breast cancer to the gastroesophageal junction should be added to the list of conditions mimicking achalasia.
Stationary points of functionals in pre-Hilbert spaces

A gradient procedure for determining the stationary points of a functional subject to equality functional constraints is described. It is proved that the procedure converges in the neighborhood of certain well-behaved stationary points.
Time-Domain de Broglie Wave Interferometry

We report the development of an atom interferometer that uses optical standing waves as phase gratings and operates in the time domain. The observed signal is entirely caused by the wave nature of the atomic center-of-mass motion. The opportunities to measure recoil frequency and gravity acceleration are demonstrated.
Evaluation of ELVIS HSV ID/Typing System for the detection and typing of herpes simplex virus from clinical specimens.

Abstract Background: Herpes simplex virus (HSV) is a common pathogen with two serotypes: HSV-1 and HSV-2. HSV infection does not pose much of a threat to an immunocompetent host but to an immunocompromised host or a neonate the infection can be fatal. The Enzyme-Linked Virus Inducible System™ (ELVIS™) employs a genetically altered baby hamster kidney (BHK) cell line that allows for the rapid overnight detection of HSV but also includes an immunofluorescent stain for the simultaneous detection and typing of HSV-1 and HSV-2. Objective: To evaluate the ELVIS™ HSV ID/Typing System in comparison with HSV identification and typing in primary rabbit kidney (PRK) cells grown in shell vials. Study design: Over a period of 6 weeks, 130 specimens were submitted to the diagnostic virology laboratory and cultured for the presence of HSV. Two PRK shell vials and one ELVIS™ BHK shell vial were inoculated with patient specimen. PRK shell vials were observed for cytopathic effect (CPE) for up to 4 days. When CPE was observed the PRK shell vials were fixed and one shell vial was stained with HSV-1 monoclonal antibody (Mab) and the other was stained with HSV-2 Mab. The coverslips were observed under the fluorescent microscope for specific apple-green fluorescence. The BHK shell vials were incubated overnight, fixed, and stained with galactopyranoside (X-Gal). If blue cells were present, the specimen was positive for HSV. The coverslip was then observed under the fluorescent microscope for the presence of specific apple-green fluorescence, indicating HSV-2. If no specific apple-green stain was observed, the coverslip was stained with a fluorescent conjugated goat anti-mouse IgG to determine the presence of HSV-1. Results: Of the 130 specimens, PRK shell vials detected 43 positive HSV; 30 were HSV-2 and 13 were HSV-1. The ELVIS™ BHK shell vials detected 42 positive HSV; 30 were HSV-2 and 12 were HSV-1. One low titer specimen was not identified as being HSV positive. Two specimens were not directly typed by the ELVIS™ system. One specimen had only one blue cell present and did not show specific staining for either HSV-1 or HSV-2. The other specimen had only five blue cells present and only one fluorescent cell present that was difficult to type. As suggested by the manufacturer’s instructions, both specimens that were not directly typed were re-grown overnight from their supernatants and were correctly identified and typed. Conclusion: The ELVIS™ HSV ID/Typing System is a rapid, highly specific and sensitive method of overnight HSV detection and typing.
Survival of frozen-thawed bovine red cells as a function of the permeation of glycerol and sucrose.

Bovine red cells, like other cells, exhibit maximum survival when frozen at certain optimum rates. Cells cooled more slowly are apparently injured by alterations in the cytoplasm or surrounding medium such as the increased concentration of solutes induced by extracellular ice formation. Additives like glycerol protect against this “slow” freezing injury. It has been generally believed that such protection requires permeation by the additive, but we have found that this supposition is not valid for the bovine red cell. Cells were suspended in 1, 2 or 3m glycerol at 20, 15 or 0°C for 0.7 to 30 min or more and then frozen to −196°C at 43 or 1.7°C/min. In nearly all cases, the percentage survival after thawing was as high for cells held in glycerol for 1 min or less prior to freezing as for cells held in glycerol for 30 min, and it was as high for cells held at 0°C as for cells held at 20°C. Survivals were the same for these times and temperatures of exposure in spite of the fact that the osmolal ratio of glycerol to salts in the cell after 30 min at 20°C, for example, was as much as 800 times greater than that in cells held at 0°C for 0.7 min. In addition, the survival after a contact of 1 or 30 min with 2.3 osmolal sucrose was the same as that after exposure to 2.3 osmolal glycerol even though the bovine red cell is impermeable to sucrose. Although exposures of 1 and 30 min to glycerol yielded similar survivals, exposures for intermediate times produced a transitory but dramatic decrease in survival. The dip occurred after longer periods of incubation when the concentration of glycerol was increased and when the incubation temperature was decreased. No dip was evident in cells chilled to 0°C or in cells frozen in sucrose. Thus, the dip seems to be associated in some way with partial permeation of glycerol prior to freezing.
A version control approach to Cache coherence

A version control approach to maintain cache coherence is proposed for large-scale shared-memory multiprocessor systems with interconnection networks. The new approach, unlike existing approaches for such class of systems, makes it possible to exploit temporal locality across synchronization boundaries. As with the other software-directed approaches, each processor independently manages its cache, i.e., there is no interprocessor communication involved in maintaining cache coherence. The hardware required per processor in the version control approach stays constant as the number of processors increases; hence, it scales up to larger systems. Furthermore, the new approach incurs low overhead. The simulated results of several schemes for large-scale systems show that the new approach achieves a data cache hit ratio closest to maximum possible.
Thermal Characterization and Optimization of Active System IPEM

An in depth parametric study was conducted to optimize the thermal performance of an active system integrated power electronic module (IPEM). Commercial finite element software was utilized in these analyses. Design parameters included material selection, geometry, and placement. Model-based optimization software tool were investigated for use in this procedure and demonstrated promise in automating the design process.Copyright © 2003 by ASME
Vx-770 potentiates CFTR function by promoting decoupling between the gating cycle and ATP hydrolysis cycle

Vx-770 (Ivacaftor), a Food and Drug Administration (FDA)-approved drug for clinical application to patients with cystic fibrosis (CF), shifts the paradigm from conventional symptomatic treatments to therapeutics directly tackling the root of the disease: functional defects of the cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel caused by pathogenic mutations. The underlying mechanism for the action of Vx-770 remains elusive partly because this compound not only increases the activity of wild-type (WT) channels whose gating is primarily controlled by ATP binding/hydrolysis, but also improves the function of G551D-CFTR, a disease-associated mutation that abolishes CFTR’s responsiveness to ATP. Here we provide a unified theory to account for this dual effect of Vx-770. We found that Vx-770 enhances spontaneous, ATP-independent activity of WT-CFTR to a similar magnitude as its effects on G551D channels, a result essentially explaining Vx-770’s effect on G551D-CFTR. Furthermore, Vx-770 increases the open time of WT-CFTR in an [ATP]-dependent manner. This distinct kinetic effect is accountable with a newly proposed CFTR gating model depicting an [ATP]-dependent “reentry” mechanism that allows CFTR shuffling among different open states by undergoing multiple rounds of ATP hydrolysis. We further examined the effect of Vx-770 on R352C-CFTR, a unique mutant that allows direct observation of hydrolysis-triggered gating events. Our data corroborate that Vx-770 increases the open time of WT-CFTR by stabilizing a posthydrolytic open state and thereby fosters decoupling between the gating cycle and ATP hydrolysis cycle. The current study also suggests that this unique mechanism of drug action can be further exploited to develop strategies that enhance the function of CFTR.
A theory of bivalent antibody-bivalent hapten interactions.

Abstract A theory is developed to describe the concentrations of the differently-sized complexes, both circular and linear, which are formed between bivalent hapten and bivalent antibody. The theory is based upon the mass law and rigorously applies only to homogeneous antibodies. The equilibrium constants which are used in the theory include terms to account for statistical factors, binding energies, and steric restrictions. A computer program based upon the equations is described, and the results of computations discussed in terms of published studies of the interaction between bivalent haptens and bivalent antibodies.
Mock LAMOST galaxy redshift surveys: I. Methodology☆☆☆

Abstract For a wide range of cold dark matter models of galaxy formation, we present a general method for constructing mock LAMOST galaxy redshift surveys using cosmological N-body simulation. We use the two-parameter Lagrangian biased model for the construction, take into account the radial selection and survey geometry and use a local morphology-density relation to assign morphological types to the galaxies. We test the mock samples by comparing their angular correlation functions both for the whole catalogue and for different morphological types with those of the APM bright galaxy catalogue. The result shows an excellent agreement between the mock catalogue as a whole and the observations; but the E/S0 galaxies of the mock sample are unable to reproduce the overall amplitude of the observed correlation. The mock catalogue should be useful when designing redshift surveys and provide a valuable aid in developing new statistical estimators and algorithm for quantifying the large scale structure of the universe.
Effect of network structure on the stress–strain behaviour of endlinked PDMS elastomers

Abstract Endlinked poly(dimethylsiloxane) (PDMS) networks synthesized from telechelic precursor chains of different molar mass were prepared with varying volume fractions of non-reactive chains acting as solvent. Uniaxial extension and compression measurements were performed on these networks to investigate their stress–strain behaviour. The effect of the network structure and of solvent on the stress–strain behaviour is examined by controlling the extent of crosslinks and entanglements during the network synthesis. The master curve of the Rubinstein and Panyukov non-affine slip-tube (NAST) model provide an adequate fit to most of the extension and compression data. Furthermore, the crosslink and entanglement parameters of the NAST model (Gc and Ge) are found to be in general in reasonable agreement with the 2C1 and 2C2 parameters of the Mooney–Rivlin continuum model applied to the extension data. For high molar mass precursor chains, the entanglement contribution to the modulus surpasses the crosslink contribution.
Titrimetric determination of muscle buffering capacity (βmtitr) in biopsy samples

In vitro titration of muscle homogenates has been used to assess muscle buffering capacity (beta mtitr) in a variety of species. In the present study, factors likely to affect the estimation of beta mtitr were investigated. Also, values of beta mtitr from normal Thoroughbred horses are presented. A non-linear titration curve was obtained with addition of HCl to muscle homogenates. As a result, beta mtitr is expressed as the mumol H+ required to change the pH of 1g of dry muscle or wet muscle from 7.1 to 6.5. An effect of dilution on the initial pH was found below 40 mg wet muscle per ml homogenising reagent (10 mg dry muscle per ml) and on beta mtitr below 10 mg wet muscle. As a result, 40 mg wet muscle or 10 mg dry muscle per ml was chosen as the minimum concentration for determination of beta mtitr. Incubation of homogenates up to 60 mins did not affect beta mtitr significantly. As a mean, beta mtitr in wet muscle was approximately 25 per cent higher compared to dry muscle. The beta mtitr of dry muscle was increased by approximately 18 per cent when HCO3- was added in an amount equivalent to the calculated HCO3- content of wet muscle at rest. The homogenisation process resulted in complete loss of adenosine triphosphate and phosphocreatine with only small changes in adenosine diphosphate and adenosine monophosphate. It was concluded that the estimates of beta mtitr did not include any contribution from 'dynamic' buffering via rephosphorylation of adenosine diphosphate by phosphocreatine, and in dry muscle it was accounted for mainly through physico-chemical buffering by phosphates, proteins and dipeptides. beta mtitr determined in biopsy samples of muscle from 20 Thoroughbred horses ranged from 100.8 to 131.8 mumol H+/g dry muscle pH 7.1 to 6.5 (mean 121.2, sd +/- 7.4).
Non-bonded poly(ethylene oxide) polymer-coated column for protein separation by capillary electrophoresis

Abstract A simple method to coat a non-ionic hydrophilic polymer onto the inner wall of a bare fused-silica capillary is established. The capillary is first filled with l M HCl solution, then flushed with 0.2% poly(ethylene oxide) solution containing 0.1 M HCl, and finally rinsed with the electrophoretic buffer. Each step takes only 5 min. For regeneration of the coating, this procedure is repeated. Four basic proteins were separated by this method around pH 3–7 with phosphate buffer. The separation efficiency in terms of peak shape was excellent compared to bare fused-silica capillaries and comparable to many other more sophisticated column-treatment methods. The reproducibility of migration times of proteins was less than 3% R.S.D. at pH 6 by manual operation of the coating process. Titration of the fused-silica surface with acid and the structure of poly(ethylene oxide) are important factors to form a stable coating via hydrogen bonding to the surface silanol groups.