cssi/SciSciGPT-SciSciNet huggingface dataset:
Factors affecting the deamidation of vancomycin in aqueous solutions

Abstract The degradation kinetics of vancomycin were studied in aqueous solutions at 50°C. The deamination of 2 mM vancomycin solutions maintained between pH 3 and 9.8 followed pseudo-first order kinetics over several half-lives. The amine pKa values of vancomycin were titrated by 1H-NMR at 50°C. These values were calculated to be 6.84 and 7.82 for pKa2 and pKa3, respectively. These are predictably lower than the values 7.75 and 8.89 which were reported in the literature for the amine pKa values at 25°C. Rate constants obtained from curve fitting the pH-rate profile for vancomycin to the experimentally observed data indicate that the reactivity of vancomycin toward deamidation in the region of pH 6–9 is influenced by its ionic state. The sites of ionization appear to be well removed from the reaction center, suggesting that the ionic state is influencing the solution conformation of vancomycin and subsequently affecting its degradation rate.
In vitro activity of HR 756, a new cephalosporin, against Neisseria gonorrhoeae.

Abstract The in vitro activity of HR 756 was compared with penicillin, cefamandole, cefoxitin, and tetracycline against Neisseria gonorrhoeae. A total of 192 randomly selected isolates (of which 23 had minimal inhibitory concentrations of ≥0.5 μg/ml for penicillin) and three β-lactamase-producing isolates were tested. HR 756 was the most active antibiotic tested, with more than 90% of the isolates inhibited by 0.008 μg/ml and all inhibited by 0.25 μg/ml.
β-turn Phe in HIV-1 env binding site of CD4 and CD4 mimetic miniprotein enhances env binding affinity but is not required for activation of co-receptor/ 17b site

HIV-1 enters a host cell after an initial interaction between viral envelope glycoprotein gp120 and cell surface receptor CD4, followed by a second interaction between gp120 and a cell surface chemokine receptor. CD4 residue Phe43 makes a significant contribution to the high-affinity interaction between CD4 and env. We and others have used scorpion toxin scaffolds to display and examine CD4 epitopes used for gp120 recognition. These peptides, which have a beta-turn Phe that acts as a Phe43 surrogate, compete with CD4 for gp120 binding and enhance the binding of gp120 to 17b, an antibody that binds near the co-receptor-binding site. In the current study, a scyllatoxin-scaffolded peptide, identified via phage epitope randomization and lacking a beta-turn Phe (indeed, containing no aromatic residues), was shown to behave in a distinctly CD4-like manner. This peptide, denoted [20EGLV23]ST, not only competed with CD4 for gp120 binding, but also enhanced the binding of gp120 to 17b. Quantitatively, an [20EGLV23]ST-gp120 complex exhibited the same 17b binding on-rate as a complex of gp120 with [20AGSF23]ST, a scyllatoxin-based CD4 mimetic peptide containing a beta-turn Phe. In view of this result, we examined the role of Phe43 in CD4 itself by comparing F43V D1D2 sCD4 versus D1D2 sCD4. Like the peptides, a close similarity was observed for both Phe43 and Phe43-less D1D2 sCD4s in enhancing gp120 binding to 17b. Further, when examined for their ability to enhance binding of gp120 to CCR5+ cells, [20EGLV23]ST and [20AGSF23]ST were found to have the same efficacy, after correcting for the difference in their gp120 affinities. These results show that, although Phe43 is important in maintaining high affinity in gp120 ligands, the aromatic residue is not necessary for triggering the conformational isomerization in gp120 that results in formation or exposure of the binding sites for the 17b antibody and the CCR5 receptor.
Connecting the dots in IT service delivery: From operations content to high-level business insights

IT service delivery relies on intelligent data-driven insights to make strategic decisions. It is a highly complex business with many sub-organizations that focus on different aspects of delivery operations. High-level business insights that emerge from understanding the collective value of all these viewpoints are invaluable to achieving excellent service quality and solid profit margin. However, this is hindered by the inability to integrate data models and taxonomies across business components such as asset management, configuration management, and incident management. Innovative solutions are necessary to effectively “connect-the-dots”, bridging the gaps between available content and higher-level business insights. In this paper, we describe several real-world business decisions in service delivery and logistics that suffer from this content-model gap. We propose a unified approach to bridge this gap, with an information system component called Business-Knowledge Discovery Component. We discuss key challenges, architectural framework and the text analytic techniques that are involved.
Texture Evolution in Non-Oriented Silicon Steel Processed by Twin-Roll Casting

In this paper, non-silicon steel sheets were produced by both twin-roll casting method and conventional process. Orientation characteristics and texture evolution of the sheets during casting, cold rolling and recrystallization annealing were investigated for comparison. It was found that the subsurface of twin-roll casting strips are characterized by weak {100} orientation while the central layer by random orientation. Twin-roll casting process can decrease α fiber (//RD) and increase γ fiber (//ND) during cold rolling process. Consequently, the η fiber (//RD) favorable for magnetic properties of non-silicon steels is enhanced and the detrimental {111} component is suppressed after annealing.
A Characterization of Graphs With Interval Two-Step Graphs

One of the intriguing open problems on competition graphs is determining what digraphs have interval competition graphs. This problem originated in the work of Cohen [5,6] on food webs. In this paper we consider this problem for the class of loopless symmetric digraphs. The competition graph of a symmetric digraph D is the two-step graph of the underlying graph H of D, denoted S_2(H). The two-step graph is also known as the neighborhood graph, and has been studied recently by Brigham and Dutton [4] and Boland, Brigham and DUTTON [1,2]. This work was motivated by a paper of Raychaudhuri and Roberts [20] where they investigated symmetric digraphs with a loop at each vertex. Under these assumption, the competition graph is the square of the underlying graph H without loops. Here we will first consider forbidden subgraph characterizations of graphs with interval two-step graphs. Second, we will characterize a large class of graphs with interval two-step graphs using the Gilmore-Hoffman characterization of interval graphs.
A Full-Sky Hα Template for Microwave Foreground Prediction

A full-sky Hα map with 6' (FWHM) resolution is presented. This map is a composite of the Virginia Tech Spectral line Survey (VTSS) in the north and the Southern H-Alpha Sky Survey Atlas (SHASSA) in the south. The Wisconsin H-Alpha Mapper (WHAM) survey provides a stable zero point over 3/4 of the sky on a 1° scale. This composite map can be used to provide limits on thermal bremsstrahlung (free-free emission) from ionized gas known to contaminate microwave-background data. The map is available on the World Wide Web for public use.
Evaluation of the walk-through inflatable colon as a colorectal cancer education tool: results from a pre and post research design.

Colorectal cancer (CRC) is a disease that can be prevented through early detection. Through the use of effective educational tools, individuals can become better informed about CRC and understand the importance of screening and early detection. The walk through Inflatable Colon is an innovative educational resource developed to engage and educate communities on CRC and the importance of receiving screening at the appropriate ages. The Inflatable Colon Assessment Survey (ICAS) assessed knowledge and behavioral intentions to obtain screening and promote CRC awareness. New Mexico State University faculty, staff, and students completed a consent form, took the pre-ICAS, toured the Inflatable Colon, and completed the post-ICAS. The majority of participants (92%) were young adults, mostly college students, under the age of 30 yrs. Overall, participants demonstrated increases in CRC knowledge and awareness after touring the inflatable colon (p-values < 0.001). Interestingly, both males and Hispanics had lower CRC awareness at pre-test, but exhibited maximum awareness gains equal to that of females and non Hispanic Whites after touring the IC. Behavioral intentions to obtain CRC screening in the future and to promote CRC awareness also increased (p-value < 0.001). Gender differences in behavioral intentions to act as advocators for CRC education were found (p < 0.05), with females being more likely to educate others about CRC than males. Educational efforts conducted in early adulthood may serve to promote healthier lifestyles (e.g., physical activity, healthy nutrition, screening). These educated young adults may also serve to disseminate CRC information to high-risk friends and relatives. The walk through Inflatable Colon can increase CRC knowledge and intentions to get screened among a young and diverse population.
Upper limits on the Faraday rotation in variable radio sources

Data on the linear polarisation of variable radio sources are examined for evidence of a variable component of Faraday rotation. Strong upper limits are set, and these are shown to have profound implications for the physics of these sources. It is suggested that the electron energy spectrum is a relativistic Maxwellian rather than a power law. This may be consistent with the relativistic blast wave models of Blandford and McKee.
Carrier screening in individuals of Ashkenazi Jewish descent

Disclaimer: This guideline is designed primarily as an educational resource for medical geneticists and other health care providers to help them provide quality medical genetic services. Adherence to this guideline does not necessarily assure a successful medical outcome. This guideline should not be considered inclusive of all proper procedures and tests or exclusive of other procedures and tests that are reasonably directed to obtaining the same results. In determining the propriety of any specific procedure or test, the geneticist should apply his or her own professional judgment to the specific clinical circumstances presented by the individual patient or specimen. It may be prudent, however, to document in the patient's record the rationale for any significant deviation from this guideline.
Effects of solvent environment and mode of preparation on the physical properties of ribosomes from Escherichia coli

Abstract Molecular weights of ribosomes and ribosomal subunits prepared by precipitation in (NH 4 ) 2 SO 4 , by washing in NH 4 Cl and with no wash, were compared. The former two methods apparently removed approximately 100,000 daltons of material from each of the subunits, as compared with those prepared with no wash. Physical characterization of the 70 s ribosomes and the 50 s subunits in 0.5 m -NH 4 Cl showed these particles to have sedimentation coefficients of 65 s and 45 s respectively in this medium. Sedimentation equilibrium studies showed the 65 s and 45 s particles to have essentially the same weight as the 70 s and 50 s particles. Small-angle X-ray scattering and viscosity studies indicated that the particles were not unfolded in 0.5 m -NH 4 Cl. However, a significant decrease in the density increment ( ∂ϱ ∂c ) resulted from placing the particles in this medium. This decrease is in part responsible for the decrease in the sedimentation coefficient and in the zero-angle X-ray scattering. When 45 s particles are placed in solutions of very low magnesium concentration the sedimentation coefficient decreases further to 39 s. Small-angle X-ray scattering studies show that some unfolding has occured in this latter transition.
A branch and bound algorithm for the traveling salesman and the transportation routing problems

Abstract In this paper, a branch and bound model with penalty tour building is developed for solving travelling salesman and transportation routing problems. The algorithm for determining the optimal solution of the problem is of the general form which can solve symmetric and asymmetric single and multiple travelling salesman problems (STS and MTS), and the transportation routing problems with capacity restrictions for the vehicles of same or of different capacities. The behavior of the developed algorithm is tested with randomly generated data. As an application, the routes for gas distribution is planned and carried out in several interior towns of a state, with the objective of making an efficient distribution in order to minimize the total cost of delivery with an optimal solution.
A general comment concerning the J dependence of direct reaction cross sections

Abstract The J-dependence of the differential cross section for direct nuclear rearrangement collisions is discussed for the case that the spin-orbit distortions can be treated to first order. Experimental predictions are made.
Second annual Ludwig von Bertalanffy Memorial Lecture.

This is the second Ludwig von Bertalanffy Memorial Lecture, delivered at the 1975 Annual Meeting of the Society for General Systems Research at New York City.
Small masses on breast MR: is biopsy necessary?

Rationale and Objectives To evaluate outcome of magnetic resonance (MR)-detected biopsied breast lesions ≤5 mm by correlating imaging characteristics with pathology. Methods and Materials Institutional review board–approved retrospective review of 565 lesions biopsied with MR guidance between March 2004 and February 2009 found 68 lesions ≤5 mm in 61 patients. Lesions evaluated were those prospectively recommended for biopsy based on clinical setting, suspicious lesion morphology, and kinetics. Two study radiologists, blinded to final pathology, reviewed MR exams recording patient age, exam indication (staging, surveillance, diagnostic, or follow-up), mass location, size, morphology, T2-weighted signal, and kinetics. Chart review provided final pathology. Results Of 68 masses ≤5 mm, 14 (20.6%) were malignant. Of 32 P = .01). No significant difference in proportion of malignancies was found based on age, T2-weighted signal, morphology, or kinetics. Conclusion For MR-detected biopsied masses, the positive predictive value for malignancy of those ≤5 mm was 20.6%. The highest prevalence of cancers was in the same quadrant as a newly diagnosed breast cancer. The decision to biopsy small masses should be based on carefully assessed MR features, and in the context of exam indication, not solely on size.
Two‐year‐old children interpret abstract, purely geometric maps

In two experiments, 2.5-year-old children spontaneously used geometric information from 2D maps to locate objects in a 3D surface layout, without instruction or feedback. Children related maps to their corresponding layouts even though the maps differed from the layouts in size, mobility, orientation, dimensionality, and perspective, and even when they did not depict the target objects directly. Early in development, therefore, children are capable of noting the referential function of strikingly abstract visual representations.
Positron emission tomography in cochlear implant and auditory brainstem implant recipients.

Positron emission tomography (PET) imaging was used to evaluate the brain's response to auditory stimulation, including speech. Five cases of adults illustrate the utility of PET to illuminate auditory processing with cochlear or brainstem implants. Subjects showed varying degrees of success in processing speech, which was reflected in the resulting PET images. Functional speech processing was associated with activation in areas classically associated with speech processing. In one patient who did not achieve functional speech processing, activation in frontal regions suggests that the subject used other cognitive strategies to assist auditory processing. Learning outcomes: As a result of this activity, the participant will be introduced to the principles of PET and the application of this technology to deaf patients who have received an implanted auditory prosthesis.
An Introduction to the Collectible Sportscard Market

The primary and secondary market activity in collectible sportscards has evolved into that of a primitive, but organised financial market. This report reviews some aspects of the collectible sportscard market. The objective of the report is to introduce the sportscard investment medium to finance professionals, including those interested in the research potential of the market. The report includes an empirical analysis of the performance of some selected sportscard portfolio strategies for the period between March 1988 and December 1993. Sportscard collecting has evolved from an adolescent hobby of the 1950s into an active national market, estimated to involve approximately $5 billion and 3 million persons and served by a network of dealers and price information suppliers. The evolution of the sportscard market into its current state is described in this presentation. The description includes an empirical analysis of the performance of some selected sportscard portfolio strategies for the period between March 1988 and December 1993. The objective of the report is to provide information to those considering collectible sportscards as an investment medium and to those who might be interested in conducting financial research with collectible sportscard pricing data.
Relative developmental toxicities of nine diphenyl ethers related to nitrofen

Outbred Swiss mice (Mus musculus) were treated with 2,3-dichlorophenyl 4′-nitrophenyl ether (23-DCN), 2,5-dichlorophenyl 4′-nitrophenyl ether (25-DCN), 2,6-dichlorophenyl 4′-nitrophenyl ether (26-DCN), 3,4-dichlorophenyl 4′-nitrophenyl ether (34-DCN), 3,5-dichlorophenyl 4′-nitrophenyl ether (35-DCN), 2,4,5-trichlorophenyl 4′-nitrophenyl ether (245-TCN), 2,4,6-trichlorophenyl 4′-nitrophenyl ether (CNP), 3-chlorophenyl 4′-nitrophenyl ether (3-MCN) or phenyl 4-bromophenyl ether (4-BR) at dosages that are highly teratogenic when the known teratogen nitrofen (2,4-dichlorophenyl 4′-nitrophenyl ether) is administered. The Chernoff/Kavlock screen was used to assess both prenatal and postnatal toxicity; in addition, effects of each chemical on Harderian glands were evaluated. The monochlorinated analogs and the five dichlorinated nitrofen analogs were inactive at the doses given. 4-BR was inactive at levels of up to 1,000 mg/kg/d. The trichlorinated analogs caused missing Harderian glands in pups exposed to 10 or 20 mg/kg/d 245-TCN, 50 or 100 mg/kg/d nitrofen or 250 or 500 mg/kg/d CNP; significant perinatal mortality in litters exposed to 20 mg/kg/d 245-TCN or 100 mg/kg/d nitrofen; and a high incidence of prenatal mortality in litters exposed to 500 or 750 mg/kg/d CNP. Maternal toxicity other than decreased weight gain was not seen with any compound, even at doses that caused significant prenatal or perinatal mortality. The data demonstrate that the position of chlorine substituents, as well as the number of such substituents, is critical in determining the developmental toxicity of diphenyl ethers.
Hypothermia and poikilothermia induced by a κ-agonist opioid and a neuroleptic

Abstract When an opioid acting selectively at the κ opioid receptor is administered subcutaneously to rats along with a neuroleptic at an ambient temperature of 20° C a marked hypothermia ensues. The combination of U-50,488H (a κ agonist) and chlorpromazine (a neuroleptic) caused a drop in body temperature amounting to as much as 11°C, with all animals recovering after 24–48 h. Naloxone partially reversed the hypothermia. Similar, but less dramatic, decreases in body temperature occurred with other neuroleptics and weaker κ agonists. The induction of poikilothermia was indicated when the body temperature approached the environment temperature and lethality resulted in 100% of the animals at ambient temperatures of 5° C or 35° C. The potential utility of this or similar combinations of drugs lies in such diverse applications as cardiac surgery, treatment of the near-drowning syndrome and space travel.
Electric Moms and Quad Drivers: People with Disabilities Buying, Making, and Using Technology in Postwar America

In the decades following World War II, an increasing number of Americans survived injury and illness to live long and active lives with physical disabilities. Despite improved medical prospects, they faced significant barriers in the everyday design of products, houses and streetscapes. In an era before the advent of a disability rights movement, I argue, people with disabilities made their own access by selecting and altering everyday technologies, tinkering their way to improved personal mobility and greater inclusion in everyday American life. Their efforts foreshadowed the disability rights movement’s call for public accommodations in the 1970s and beyond.
Combustion of zirconium droplets in oxygen/rare gas mixtures—kinetics and mechanism

To help understand the combustion mechanism of molten zirconium, time-resolved luminosity traces of freely falling submillimeter droplets have been obtained. These data and prior photographic, spectroscopic, gravimetric, and related observations on flash-heated (laser or xenon lamp) specimens in subatmospheric pressure oxygen/rare gas mixtures are shown to be consistent with a model in which the reaction rate is initially limited by the true kinetics of a gas/liquid interface reaction, later becomes limited by external oxygen transport to the droplet through a film of carrier gas and/or vaporization products, and finally is limited by internal diffusion of oxygen to the Zr-rich droplet core.
Collective Opinion Spam Detection: Bridging Review Networks and Metadata

Online reviews capture the testimonials of "real" people and help shape the decisions of other consumers. Due to the financial gains associated with positive reviews, however, opinion spam has become a widespread problem, with often paid spam reviewers writing fake reviews to unjustly promote or demote certain products or businesses. Existing approaches to opinion spam have successfully but separately utilized linguistic clues of deception, behavioral footprints, or relational ties between agents in a review system.In this work, we propose a new holistic approach called SPEAGLE that utilizes clues from all metadata (text, timestamp, rating) as well as relational data (network), and harness them collectively under a unified framework to spot suspicious users and reviews, as well as products targeted by spam. Moreover, our method can efficiently and seamlessly integrate semi-supervision, i.e., a (small) set of labels if available, without requiring any training or changes in its underlying algorithm. We demonstrate the effectiveness and scalability of SPEAGLE on three real-world review datasets from Yelp.com with filtered (spam) and recommended (non-spam) reviews, where it significantly outperforms several baselines and state-of-the-art methods. To the best of our knowledge, this is the largest scale quantitative evaluation performed to date for the opinion spam problem.
Immunoglobulin prevents complement-mediated hyperacute rejection in swine-to-primate xenotransplantation

Immunoglobulins regulate the complement system by activating complement on foreign surfaces and diverting reactive complement proteins away from autologous cell surfaces. Based on this model, we explored the ability of Ig to balance complement activation versus control in a pig-to-primate cardiac xenotransplantation model in which the binding of xenoreactive antibodies of the recipient to graft blood vessels and the activation of complement cause hyperacute rejection. Human IgG added to human serum caused a dose-dependent decrease in deposition of iC3b, cytotoxicity, and heparan sulfate release when the serum was incubated with porcine endothelial cells. This decrease was not caused by alteration in antibody binding or consumption of complement but presumably reflected decreased formation of C3 convertase on the endothelial cells. Infusion of purified human IgG into nonhuman primates prevented hyperacute rejection of porcine hearts transplanted into the primates. As expected, the transplants contained deposits of recipient Ig and C1q but not other complement components. The inhibition of complement on endothelial cell surfaces and in the xenotransplantation model supports the idea that IgG regulates the classical complement pathway and supports therapeutic use of that agent in humoral-mediated disease.
A spot test diagnostic of hydroxyl groups

Abstract A spot test specifically diagnostic of hydroxyl groups was devised. It makes use of the reagent 4-( p -nitrobenzyl)-pyridine, which, on cellulose thin-layer plates, is sensitive to alcohols in the microgram range. Amino, ester, and ether groups do not interfere, but carboxylate and phenolic groups do.
New diffusive source for far-ultraviolet calibrations

Recent developments in far ultraviolet technology have advanced the state of the art in FUV instrumentation notably in the area of space flight experiments. In this paper, we report on a significant advance in far ultraviolet calibration technology which makes it possible to take full advantage of the improved instrumentation. A new far ultraviolet diffusive source has been developed which is capable of calibrating every pixel of an 8 degree field of view imaging camera to better than 10% absolute accuracy throughout the far ultraviolet wavelength region.© (1995) COPYRIGHT SPIE--The International Society for Optical Engineering. Downloading of the abstract is permitted for personal use only.
A new bone deformity in the chick.

SummaryA new bone deformity which is characterized by a twisting;of the tibia at the proximal end has been observed in chicks fed purified diets. Under the conditions of this experiment gelatin and fish meal decreased the incidence and severity of the malformation. The diet used appears to be deficient in an unknown factor or factors necessary for maximum growth and the prevention of the bone deformity.
Identification and Characterization of Nodulation-Signaling Pathway 2, a Gene of Medicago truncatula Involved in Nod Factor Signaling

Bacterially derived Nod factor is critical in the establishment of the legume/rhizobia symbiosis. Understanding the mechanisms of Nod factor perception and signal transduction in the plant will greatly advance our understanding of this complex interaction. Here, we describe the identification of a new locus, nodulation-signaling pathway 2 (NSP2), of Medicago truncatula that is involved in Nod factor signaling. Mutants at this locus are blocked for Nod factor-induced gene expression and show a reduced root hair deformation response. nsp2 plants also show a complete absence of infection and cortical cell division following Sinorhizobium meliloti inoculation. Nod factor-induced calcium spiking, one of the earliest responses tested, is still functional in these mutant plants. We conclude that the gene NSP2 is a component of the Nod factor signal transduction pathway that lies downstream of the calcium-spiking response.
Broadband varactor-tuned GaAs f.e.t. oscillator

A broadband varactor-tuned GaAs f.e.t. oscillator (7.4 to 13.1 GHz) is presented, together with measured and predicted performance characteristics. The circuit uses tuning in series with both the gate and the source leads of the device to maintain optimum oscillation conditions across the band.
Characterization of DNA from the BasidiomyceteSchizophyllum commune

Abstract We have examined the whole-cell DNA of homokaryons and dikaryons ofSchizophyllum commune by physical methods and reassociation kinetics. DNA with a single-strand length of 2800 bases was routinely isolated with urea—phosphate buffers and hydroxyapatite. Melting profiles indicate the bulk of the DNA to consist of a 57 ± 1.22% guanine plus cytosine content (GC) with a small amount of DNA melting at temperatures indicative of 22.1% GC. Analytical ultracentrifugations in CsCl gradients revealed a single band with buoyant density 1.718 g/ml equating to 59% GC. On the other hand, cesium chloride isopycnic centrifugation in the preparative ultracentrifuge disclosed a light satellite (ϱ = 1.687 g/ml, 27% GC) constituting about 2% of the whole-cell DNA. Analyses of the kinetics of reassociation of the whole-cell DNA by three different methods estimate the DNA of anS. commune homokaryotic cell to be 8.6 times that of anEscherichia coli cell (mean, 3.6 × 107 nucleotide pairs, NTP; range of experimental values 3.1 − 4.1 × 107 NTP). The dikaryotic cell would contain approximately twice this amount of DNA. We detect no other differences between the DNA of homokaryotic and dikaryotic cells as described within the limits of these methods. The reassociation data are best described with a single unique component accounting for 80–90% of the DNA and with a single repetitive fraction of 10 ± 2% of whole-cell DNA. Some ambiguity surrounds the repetition frequency and sequence complexity of the repetitive fraction because it does not reassociate well as a separate fraction (i.e., it does not reassociate with the anticipated rate constant, nor does it approach completion of the reaction) after being isolated by denaturation, reassociation, and isolation on hydroxyapatite.
The Small Angle Scattering Toolbox

Small Angle Scattering (SAS) is a technique used to investigate structure and dynamics of macromolecules in solution. Proteins in buffer conditions close to their physiological environment, are subject to Xray or Neutron scattering experiments. The resulting one-dimensional scattering curves are directly related to their three-dimensional structure. The SAS technique is routinely used to determining the low resolution shape of protein and map specific large scale conformation changes in protein structures.We present a recently developed computational platform for SAS data analysis and model construction/refinement.The Small Angle Scattering Toolbox (SASTBX) has tools four major modules: (1) Raw data reduction; (2) theoretical scattering profile calculation based on PDB structures; (3) Pair distance distribution function (PDDF) estimation; and (4) 3D model construction and structure refinement.The toolbox can be utilized to read raw scattering images obtained from the detector to generate an intensity profile. The basic analyses, such as Guiner and Kratky plots can be carried out in real time to assess the sample and data quality while collecting data. The PDDF estimation is a fully automated procedure, linked with a database a known PDDF's allowing for a rough initial classification of the shape of the protein. Model data can be calculated on the basis of a spherical harmonics expansions. Initial structures can be further refined with normal mode movements or rigid-body motions.The sastbx is built on the open source Computational Crystallography Toolbox (CCTBX). The toolbox is implemented by using Python/C++ hybrid approach: the computing intensive jobs are handled in C++, and the python allows easy integration between other components. The source code will be distributed as open source project.
The relationship between surface electronic structure and chemisorption of hydrogen by MgO

Abstract Properly prepared MgO crystals have been shown capable of catalyzing the reaction H2 + D2 rar2; 2 HD at temperatures as low as 78 K. We agree that ability is directly related to the modification of the electronic structure of bulk MgO on a small [111] surface to a new lower energy ground state in which singly occupied electron orbitals (“surface radicals”) play an important role. This local modification of electronic structure at a surface due to a surface defect has not been established before in a theoretical calculation.
Cholesterol oxides II. Measurement of the 5,6-epoxides during cholesterol oxidation in aqueous dispersions

Cholesterol in aqueous dispersion with sodium stearate or Triton surfactants was aerated at various pH values at 50 and 80 C. Analysis of the reaction mixtures by TLC during the oxidation produced qualitatively similar patterns regardless of pH or temperature. Major oxidation products observed were 7-ketocholesterol, the isomeric 7-hydroperoxy- and 7-hydroxycholesterols, the isomeric 5,6-epoxycholestanols and 3β,5α,6β-trihydroxycholestanol. The concentrations of 3β,5α,6β-trihydroxycholestanol and an unknown compound increased greatly at the lower pH values.
Algorithms over partially ordered sets

We here study some problems concerned with the computational analysis of finite partially ordered sets. We begin (in § 1) by showing that the matrix representation of a binary relationR may always be taken in triangular form ifR is a partial ordering. We consider (in § 2) the chain structure in partially ordered sets, answer the combinatorial question of how many maximal chains might exist in a partially ordered set withn elements, and we give an algorithm for enumerating all maximal chains. We give (in § 3) algorithms which decide whether a partially ordered set is a (lower or upper) semi-lattice, and whether a lattice has distributive, modular, and Boolean properties. Finally (in § 4) we give Algol realizations of the various algorithms.
Research note Automatic lines impedance matching for reduction of coupled noise to an amplifier

Traditionally, a potentiometer and a capacitor have been used to balance (match) the impedances of lines at the inputs of amplifiers. This technique involves monitoring the output of the amplifier with oscilloscope and adjusting the potentiometer until the output (amplified noise) is minimized under the condition when a sensing device (transduser) is not yet activated. This method is time consuming and difficult especially when many channels (transducer + amplifier) are involved. An automatic impedance matching circuit was designed. By pressing a push button switch, the circuit automatically balances the input lines of an amplifier where it gets connected to, and when an LED is lit this indicates that impedance matching has taken place.
Inhibition of cell growth by near ultraviolet light photoproducts of tryptophan

Exposure of dilute aqueous solutions of tryptophan to near UV light (320 to 390 nm) at subsolar levels yields fluorescent photoproducts capable of inhibiting the growth and differentiation of cultured mouse embryonic fibroblasts and fertilized sea urchin eggs. The ability of these cells to incorporate labelled precursors of protein, RNA, and DNA into their respective macromolecules was markedly inhibited by adding tryptophan preirradiated with near UV light to their incubation media. Thus the inhibition of growth and differentiation of these cells seems to result from a depression of their ability to synthesize macromolecules in the presence of the photoproducts.
Mathematical model and procedure for arc-back current calculations for power rectifiers

THE anode and cathode circuit breaker fault currents experienced by mercury-arc rectifier equipment when an arc back occurs have generally been estimated by superposition of the results of greatly simplified calculations of individual a-c and d-c transient states. Such calculations have the merit of being easy and rapid to make. In some instances however the large differences between such estimates and actual tests have indicated a need for a more precise method of predicting the arc-back currents in rectifier circuits. This need has been particularly pressing in the case of circuits having large connected capacity, for as systems get larger the accurate prediction of the magnitude of arc-back currents to be handled becomes increasingly important in the design and selection of components.
Inelastic scattering of 40 MeV protons from 24 Mg. II. Microscopic calculations for positive parity states

Proton inelastic scattering data at 40 MeV bombarding energy are compared to microscopic distorted-wave Born-approximation calculations for positive parity states in $^{24}\mathrm{Mg}$ utilizing shell-model wave functions spanning the full $2s1d$ shell basis. Both empirical forces and forces derived from free nucleon-nucleon potentials are used in the calculations. Except for four transitions for which strong coupling effects are evident, the agreement between theory and experiment is quite good. Enhancement factors extracted for the natural parity transitions are consistent with the effective charges obtained from electromagnetic transition rates. Levels corresponding to the giant $M1$ resonance in $^{24}\mathrm{Mg}$ have been resolved in the present experiment. The fact that the renormalization factor between theory and experiment is close to unity for the 10.713 MeV 1+; $T=1$ state indicates that little or no renormalization of the two-body force is necessary for this inelastic transition. It is argued that little renormalization is also involved for magnetic-type inelastic transitions of multi polarities higher than $M1$.
Sensorimotor primitives for robotic assembly skills

Many researchers are interested in developing robust, skill-achieving robot programs. The authors propose the development of a sensorimotor primitive layer which bridges the gap between the robot/sensor system and a class of tasks by providing useful encapsulations of sensing and action. Skills can then be constructed from this library of sensor-driven primitives. This reflects a move away from the separation of sensing and action in robot programming of task strategies towards the integration of sensing and action in a domain-general way for broad classes of tasks. For the domain of rigid-body assembly, the authors exploit the motion constraints which define assembly to develop force sensor-driven primitives. The authors report on the experimental results of a D-connector insertion skill implemented using several force-driven primitives.
Novel electrode materials for electrochemical capacitors: Part II. Material characterization of sol-gel-derived and electrodeposited manganese dioxide thin films

Material characterization of sol-gel-derived and electrodeposited MnO2 thin films showed that their microstructures are highly porous in nature. While sol-gel-derived films are nanoparticulate, electrodeposited films showed macropores of random and irregular platelike structures, comprising much denser surface layers and highly porous underlying layers. On the basis of calculated and theoretical density values of 1 and 4.99 g/cm3, respectively, the porosity of sol-gel-derived MnO2 films was determined to be as high as 80%, which is substantially higher than electrodeposited films at 67%. Apart from their higher specific capacitance, sol-gel-derived MnO2 films appeared to exhibit higher cycling stability and reversibility than electrodeposited MnO2 films. In the case of sol-gel films, thinner films appeared to exhibit higher cycling stability than thicker films. There was less alteration in surface morphology and microstructure, and the rate of loss in charge-storage capacity upon voltammetric cycling was not as significant for sol-gel MnO2 thin films
Varieties of Reasoning in Medical Anthropology

ne of medical anthropology's enduring contributions has been to explicate the diverse forms of reasoning sick people and those around them draw on to understand a disorder or to arrive at ameliorative action. This collection offers a wealth of provocative new material. It demonstrates that professional and lay persons may use different forms of "rational" reasoning, and that convergence between lay and biomedical models is by no means inevitable, even as medicalization processes increasingly intrude into everyday life. These articles are grounded in the contemporary view that the construct of culture is neither stable nor coterminous with well-defined entities such as ethnic groups or nation-states; rather it is a dynamic set of practices that informs but does not determine action. Garro has performed a very valuable service with her two-part article "On the Rationality of Decision-Making Studies." It is not entirely clear what accounts for American medical anthropologists' persistent interest in understanding the bases of medical "choice." (This subject has attracted far less attention outside the United States.) Our fascination may be due to the peculiarly American preoccupation with the illusion that we control our destiny. Yet the classic studies of medical decision making, including Young and Garro's earlier work, attributed far greater deliberation to medical decision making than subsequently has been shown to be the case. Garro is entirely right when she argues that rationality is "ambiguous," "slippery," and "subject to multiple definitions" (p. 321). Rather than drawing on a fixed or consistent set of principles, most lay understandings of and strategies for dealing with illness episodes are neither independent of culture nor determinate. Instead, they are shifting, emergent, and derived from the ongoing application of cultural and personal knowledge. The articles by Hunt and Mattingly also make this point. Their work demonstrates that multiple explanatory frameworks may coexist in many different types of settings. Each also illustrates Garro's crucial observation that reasoning about health care is not static, but instead continually incorporates new experiences and emergent information.
Problems Associated with Quality control Sampling in Modern IC Manufacturing

Existing sampling plans are not very efficient in situations when a fraction of defective items is on the order of 0.0001. They usually command a 100-percent inspection, but it still does not provide for 100percent quality since in semiconductor manufacturing the inspection is never totally reliable and can easily introduce an error of almost the same order as the fraction of defectives. Skip-lot strategies can rarely be used because most of the customers frequently require inspection of every shipped lot. An inspection policy is suggested which combines the ideas of various sampling strategies and provides a guarantee against undesirable levels of average outgoing quality as well as protection against poor quality on a lot-to-lot basis. The method is based on observing the number of good items between defective ones and shifting to a 100percent inspection when certain conditions are not met.
Induction of calcitonin gene-related peptide-like immunoreactivity in hippocampal neurons following ischemia: a putative regional modulator of the CNS injury/immune response.

Calcitonin gene-related peptide (CGRP) is a potent vasodilator and immune cell modulator. In two studies within the hippocampal formation (HF), CGRP-like immunoreactivity (CGRP-LI) was increased in the inner molecular layer of the dentate gyrus after adrenalectomy and in mossy cells after colchicine-induced destruction of granule neurons. Given the increase in CGRP-LI following damage to the granule cell region of the HF, we investigated another trauma model, ischemia, that targeted different areas of the HF, CA1 region, and subiculum to ascertain the regional expression of this peptide after insult. Following ischemia, light microscopic evaluation showed CGRP-LI in basket cell-like neuronal perikarya within the dorsal subiculum and CA1 region of the hippocampus and in varicose fibers within the CA2 region of the hippocampus. Control rats rarely expressed CGRP-LI within neurons in these regions. In ischemic brains, double-labeled immunocytochemistry with antibodies to various neural markers demonstrated co-localization of CGRP-LI primarily within surviving subicular and CA1 cells resembling interneurons containing parvalbumin-LI or calbindin-LI. Electron microscopic analysis of the CA1 region from ischemic brains showed that CGRP-LI was contained in terminals with numerous small synaptic vesicles that formed symmetric synapses with perikarya and large dendrites of pyramidal cells, some of which were degenerating. Collectively, the data from this study and our previous study indicate that damage induces CGRP-LI expression in interneurons and nonprincipal cells in the area of damage, and we hypothesize that CGRP expression in surviving neurons within damage-related regions of the hippocampus is likely to be an important, and possibly a protective, component of the response of the nervous system to injury.
Pathways from depressive symptoms to low social status.

This research examined two pathways through which depressive symptoms contribute to low social status (i.e., neglect and rejection) within the peer group over time: (a) depressive symptoms promote socially helpless behavior and consequent neglect by peers; and (b) depressive symptoms promote aggressive behavior and consequent rejection by peers. These pathways were investigated in independent samples of youth at two developmental stages: middle childhood (2nd–4th grade) and early adolescence (5th–7th grade). In both Study 1 (M age = 7.97, SD = 0.37; 338 girls, 298 boys) and Study 2 (M age = 11.74, SD = 0.68; 305 girls, 300 boys), youth and their teachers completed questionnaires at three waves. Multi-group comparison path analyses were conducted to examine sex differences in the models. Consistent with expectations, two pathways emerged through which depressive symptoms undermined subsequent social status. Support was not found for the reverse direction of effect nor for developmental or sex differences in the pathways with one exception: In early adolescence, neglect directly predicted depressive symptoms. These findings suggest specificity but also heterogeneity in the effects of depressive symptoms on social status, and identify behaviors that may be targeted for preventing the persistence of depression and its interpersonal consequences.
Rethinking the use of the Hogan Empathy Scale: a critical psychometric analysis.

Objective The purpose of this research was to study the stability internal consistency factor structure, and convergent and discriminate validity of the Hogan Empathy Scale (EM) when used longitudinally with occupational therapy students. Method More than 300 occupational therapy students completed the EM once; 192 completed it twice over a 12-month interval; and 56 completed a third administration at intervals ranging from 3 years to 6 years. The Fieldwork Performance Evaluation (FWPE) was rated twice for students after fieldwork rotations in the occupational therapy program. Data on grade-point average, gender, and age were collected. Results Stability was estimated at .41 over a 12-month interval and from .30 to .38 over longer intervals. Internal consistency was estimated at .57, and factor structures hypothesized previously were not replicable. Students' biographical variables explained only trivial amounts of variance in EM scores in regression equations (R = .08 and .21). Correlations between EM and FWPE scores did not support convergent validity (r = -. 01-.18). Conclusion The reliability estimates for the EM as a measure of a trait-like construct are not encouraging and do not replicate previous estimates. Validity evidence was equally disappointing, raising questions about what the EM is measuring and cautioning against its continued, uncritical use as a measure of empathy.
Comparison of Sichel and Negative Binomial Models in Estimating Empirical Bayes Estimates

Traditionally, transportation safety analysts have used the empirical Bayes (EB) method to improve the estimate of the long-term mean of individual sites and to identify hotspot locations. The EB method combines two sources of information: (a) the expected number of crashes estimated by crash prediction models and (b) the observed number of crashes at individual sites. Because of the overdispersion commonly found in crash data, a negative binomial (NB) modeling framework has been used extensively in crash prediction estimation models. Recent studies have shown that the Sichel (SI) distribution provides a promising avenue for developing crash prediction models. The objective of this study was to examine the application of the SI model in calculating EB estimates. The study used crash data collected at four-lane undivided rural highways in Texas to develop SI models with fixed and varying dispersion terms. The results led to the following main conclusions: (a) the selection of the crash prediction model (i....