cssi/SciSciGPT-SciSciNet huggingface dataset:
Membrane Protein Structure Determination by Coupling Sparse Experimental Data with Protein Structure Prediction Techniques

Membrane protein structure determination by classic experimental methods such as X-ray crystallography and nuclear magnetic resonance (NMR) continues to be extremely challenging, as demonstrated by the extremely low proportion of such structures in the Protein Data Bank. However, more than 50% of pharmaceuticals target membrane proteins, and it is estimated that membrane proteins make up 30-40% of all proteins. Therefore, a novel method was developed for membrane protein structure determination, taking advantage of alternative experimental techniques which are not hindered by the size or environment of membrane proteins. These alternative experimental techniques, such as electron paramagnetic resonance (EPR) and cryo-electron microscopy, provide sparse or low resolution structural data but cannot alone uniquely define a protein's structure. In order to obtain atomic detail models, the method incorporates one or more types of sparse or low resolution experimental data into a protein structure prediction algorithm. The method was benchmarked on a set of membrane proteins with known structure using sparse or low resolution data. This demonstrated the feasibility of obtaining membrane protein models of biologically relevant quality. The method was then applied to the multidrug resistance membrane transporter protein EmrE, for which extensive EPR and electron density data exist, giving a model with a high confidence of being a valid structure for EmrE.
Azathioprine-induced EBV-positive mucocutaneous ulcer.

Epstein-Barr virus (EBV)-positive mucocutaneous ulcer was recently described as a clinicopathologic entity occurring secondary to iatrogenic or age-related immune suppression. The histopathology of EBV-positive mucocutaneous ulcer reveals a polymorphous infiltrate including atypical large B-cells and Reed-Sternberg-like cells which are CD20-positive, CD30-positive and EBV-positive. The disorder follows an indolent and self-limited course. We report a case of EBV-positive mucocutaneous ulcer secondary to prolonged use of azathioprine for the treatment of pemphigoid and highlight the need for recognition of this disorder by dermatopathologists and dermatologists. McGinness JL, Spicknall KE, Mutasim DF. Azathioprine-induced EBV-positive mucocutaneous ulcer.
Understanding Differences in Moral Judgments: The Role of Informational Assumptions

This study examined differences in moral judgments as they relate to informational assumptions. It was hypothesized that (1) differences in moral judgments are related to differences in informational assumptions, (2) moral judgments change if the information believed to be true changes, and (3) the relation between informational assumptions and moral judgments is not affected by age. 72 subjects (aged 11-9, 15-10, and 21-3) evaluated events concerning welfare, justice, and rights and reevaluated them in light of the opposite information. A significant relation was found between the evaluations and the informational assumptions, and 80% of the evaluations changed in response to informational changes. The relation between evaluations and informational assumptions was significant within each age group. These findings demonstrated that informational assumptions are a source of variation in moral judgments and underscored the need to distinguish between the 2 types of judgments when studying differences in moral reasoning.
Diazomethane as a reagent for microsynthesis

Abstract The use of diazomethane in organic synthesis and the advantages of employing this reagent in micropreparative work are discussed. A microgenerator is described which conveniently produces small amounts of diazomethane. Procedures are given for the micropreparation of the methyl ester, pyrazoline, and diazoketone, as well as the conversion of the diazoketone to the acetoxymethyl ketone or to a substituted acetamide. Comparison is made of the yields from different microprocedures, and between micro- and macropreparations. One new acetoxymethyl-chlorophenylketone and several new methyl esters of arylphosphonic acids have been synthesized. Satisfactory yields were obtained from 28 to 146 mg. of the starting material. The products were purified by fractional distillation or recrystallization. The physical constants of the pure compounds together with their elemental analyses are reported.
Shape-preserving knot removal

Abstract Starting with a shape-preserving C 1 quadratic spline, we show how knots can be removed to produce a new spline which is within a specified tolerance of the original one, and which has the same shape properties. We give specific algorithms and some numerical examples, and also show how the method can be used to compute approximate best free-knot splines. Finally, we discuss how to handle noisy data, and develop an analogous knot removal algorithm for a monotonicity preserving surface method.
An "elite hacker": breast tumors exploit the normal microenvironment program to instruct their progression and biological diversity.

The year 2011 marked the 40 year anniversary of Richard Nixon signing the National Cancer Act, thus declaring the beginning of the “War on Cancer” in the United States. Whereas we have made tremendous progress toward understanding the genetics of tumors in the past four decades, and in developing enabling technology to dissect the molecular underpinnings of cancer at unprecedented resolution, it is only recently that the important role of the stromal microenvironment has been studied in detail. Cancer is a tissue-specific disease, and it is becoming clear that much of what we know about breast cancer progression parallels the biology of the normal breast differentiation, of which there is still much to learn. In particular, the normal breast and breast tumors share molecular, cellular, systemic and microenvironmental influences necessary for their progression. It is therefore enticing to consider a tumor to be a “rogue hacker”—one who exploits the weaknesses of a normal program for personal benefit. Understanding normal mammary gland biology and its “security vulnerabilities” may thus leave us better equipped to target breast cancer. In this review, we will provide a brief overview of the heterotypic cellular and molecular interactions within the microenvironment of the developing mammary gland that are necessary for functional differentiation, provide evidence suggesting that similar biology—albeit imbalanced and exaggerated—is observed in breast cancer progression particularly during the transition from carcinoma in situ to invasive disease. Lastly we will present evidence suggesting that the multigene signatures currently used to model cancer heterogeneity and clinical outcome largely reflect signaling from a heterogeneous microenvironment—a recurring theme that could potentially be exploited therapeutically.
Salivary gland cell differentiation and organization on micropatterned PLGA nanofiber craters.

Abstract There is a need for an artificial salivary gland as a long-term remedy for patients suffering from salivary hypofunction, a leading cause of chronic xerostomia (dry mouth). Current salivary gland tissue engineering approaches are limited in that they either lack sufficient physical cues and surface area needed to facilitate epithelial cell differentiation, or they fail to provide a mechanism for assembling an interconnected branched network of cells. We have developed highly-ordered arrays of curved hemispherical “craters” in polydimethylsiloxane (PDMS) using wafer-level integrated circuit (IC) fabrication processes, and lined them with electrospun poly-lactic- co -glycolic acid (PLGA) nanofibers, designed to mimic the three-dimensional (3-D) in vivo architecture of the basement membrane surrounding spherical acini of salivary gland epithelial cells. These micropatterned scaffolds provide a method for engineering increased surface area and were additionally investigated for their ability to promote cell polarization. Two immortalized salivary gland cell lines (SIMS, ductal and Par-C10, acinar) were cultured on fibrous crater arrays of various radii and compared with those grown on flat PLGA nanofiber substrates, and in 3-D Matrigel. It was found that by increasing crater curvature, the average height of the cell monolayer of SIMS cells and to a lesser extent, Par-C10 cells, increased to a maximum similar to that seen in cells grown in 3-D Matrigel. Increasing curvature resulted in higher expression levels of tight junction protein occludin in both cell lines, but did not induce a change in expression of adherens junction protein E-cadherin. Additionally, increasing curvature promoted polarity of both cell lines, as a greater apical localization of occludin was seen in cells on substrates of higher curvature. Lastly, substrate curvature increased expression of the water channel protein aquaporin-5 (Aqp-5) in Par-C10 cells, suggesting that curved nanofiber substrates are more suitable for promoting differentiation of salivary gland cells.
Micron thick Gd2O3 films for GaN/AlGaN metal-oxide-semiconductor heterostructures

Abstract One micron thick Gd2O3 films were grown on GaN/AlGaN heterostructures by reactive electron beam physical vapor deposition. The films were of cubic bixbyite phase with strong (222) out-of-plane and in-plane textures. The films showed a columnar microstructure with feather-like growth. Transmission electron microscopy analysis and selected area diffraction showed highly oriented single crystal like growth near the film interface which degraded as the film thickness increased. Capacitance–voltage (C–V) characteristics show that the Gd2O3 device results in a negative threshold shift of approximately 1.9 V. Hysteresis of 0.9 V was extracted from the C–V curve corresponding to a trapped charge density of 6.9 × 1010 cm− 2. The conduction mechanisms were found to be dominated by Poole–Frenkel conduction between 50 and 100 °C and Schottky emission between 125 and 200 °C. The trap height for Poole–Frenkel conduction was 0.46 eV and the Schottky barrier height was 0.79 eV.
Colorimetric determination of pyruvic acid and other α-keto acids in submicrogram quantities.

Abstract 1. 1. The method of Friedemann and Haugen for pyruvic acid has been adapted to allow the determination of 0.1–1.0 μg. of pyruvic acid or other α-keto acids in samples containing at least 2 μg./ml. of these acids, with a reproducibility of 0.022 μg. (standard deviation of the observations) and a recovery of 102% (±4%). 2. 2. Deproteinization of the samples is shown to be unnecessary under the conditions specified. 3. 3. The yellow color of the original hydrazone extract in Na2CO3 solution is read at 380 mμ, omitting the addition of NaOH. This has several advantages, e.g., increased color stability, increased sensitivity, and lower blank absorption. 4. 4. A differential determination of pyruvic acid and either α-ketoglutaric or oxalacetic acid, with an average error of 2.9%, is possible on the submicrogram scale by varying the reaction time and the organic solvent.
Positive Eigenvalues for Nonlinear Multivalued Noncompact Operators with Applications to Differential Operators

Abstract The first part of Section 1 contains two theorems concerning the existence of positive eigenvalues and corresponding eigenvectors for multivalued and not necessarily compact mappings. Theorem 1 contains as special cases the Birkhoff-Kellogg and Krasnoselskii theorems for single-valued compact mappings while Theorem 2 includes a single-valued result of Reich and some results of Schaefer concerning the existence of positive eigenvalues. The second part of Section 1 contains Theorem 3, which extends another result of Schaefer for positive compact mappings to positive eigenvalue problems involving not necessarily compact mappings. In Section 2 our Theorem 1 is applied to positive eigenvalue problems involving quasilinear ordinary integro-differential operators, quasilinear elliptic operators, and nonlinear ordinary differential operators.
Spatially characterizing visitor use and its association with informal trails in Yosemite Valley meadows

Ecological impacts associated with nature-based recreation and tourism can compromise park and protected area goals if left unrestricted. Protected area agencies are increasingly incorporating indicator-based management frameworks into their management plans to address visitor impacts. Development of indicators requires empirical evaluation of indicator measures and examining their ecological and social relevance. This study addresses the development of the informal trail indicator in Yosemite National Park by spatially characterizing visitor use in open landscapes and integrating use patterns with informal trail condition data to examine their spatial association. Informal trail and visitor use data were collected concurrently during July and August of 2011 in three, high-use meadows of Yosemite Valley. Visitor use was clustered at statistically significant levels in all three study meadows. Spatial data integration found no statistically significant differences between use patterns and trail condition class. However, statistically significant differences were found between the distance visitors were observed from informal trails and visitor activity type with active activities occurring closer to trail corridors. Gender was also found to be significant with male visitors observed further from trail corridors. Results highlight the utility of integrated spatial analysis in supporting indicator-based monitoring and informing management of open landscapes. Additional variables for future analysis and methodological improvements are discussed.
An approach in modeling the temperature effect in thermo-stamping of woven composites

Made with high-strength continuous fibers, textile composites are of increasing interest in automotive and aerospace industries due to their high-strength/weight performance as compared to sheet metals. Nevertheless, significant reduction in manufacturing cost is required to use textile composites for mass production applications. Highly efficient thermo-stamping operations possess the potential to substantially reduce fabrication time and cost compared to the much slower autoclave forming process. In this paper, thermo-forming of woven fabric-reinforced thermo-plastic composites is simulated using a non-orthogonal material model. The temperature effect is taken into account by modifying the equivalent material properties for the composite sheet based on the contact status between the tooling and the blank. The approach is exemplified on the hemispherical thermo-stamping of a plain weave composite sheet.
Update on Resident Training Models for Ureteroscopy

Surgical skills increasingly are taught in training laboratories outside the operating room. This change in paradigm has driven the development of surrogate training models for a wide range of surgical procedures. In urology, a growing number of procedures using minimally invasive techniques are performed. Consequently, the development of simulators for training and assessment represents a growing need. In this article, we review the currently available ureteroscopic simulators, including a critical assessment of relevant validation studies for each.
A comparison of the cardiovascular effects of diphenylthiohydantoin and diphenylhydantoin.

Abstract The comparative effects of diphenylthiohydantoin and diphenylhydantoin on the cardiovascular system of the cat were revaluated in Dial-urethane-anesthetized preparations by monitoring (1) the right ventricular contractile force, (2) the femoral arterial pressure, and (3) the electrocardiogram. I.V. injections of each drug (2, 4, 8 and 16 mg/kg) caused dose dependent decreases in contractile force, blood pressure, and heart rate. However, cardiac depression produced by diphenylthiohydantoin was significantly less than the cardiac depression produced by diphenylhydantoin. With respect to reduction in blood pressure and heart rate, the two drugs were found to be equipotent. In addition, both drugs were equally effective in converting deslanoside-induced ventricular tachycardia to sinus rhythm. These results indicate that diphenylthiohydantoin has an advantage over diphenylhydantoin for the treatment of cardiac arrhythmias because it does not depress the pumping function of the heart as profoundly as diphenylhydantoin.
Covalently closed circular DNA molecules deficient in superhelical density as intermediates in plasmid life cycle.

WE have described1 the replication of the conjugative R plasmid, RSF1040, a deletion mutant of R6K (ref. 2). RSF1040 possesses two distinct origins and replication generally proceeds from one or the other in an asymmetrically bidirectional mode to a unique terminus1, although in several instances molecules with two simultaneous initiations were observed2. During the course of examining the kinetic behaviour of replicating RSF1040 DNA (ref. 1), we observed 3H-thymidine pulse-labelled material that had a greater buoyant density in CsCl–ethidium bromide gradients than did mature covalently closed circular (form I) plasmid DNA. The nature of this material (‘heavy DNA’) and its relationship to the replication cycle are the subjects of this report.
Approaches to the biosynthesis of the cecropia C18-Juvenile Hormone

The juvenile hormone of the silkmoth Hyalophora cecropia—methyl 7-ethyl-3,11-dimethyl-cis-10,11-oxido-trans,trans-2,6-tridecadienoate—is a rare bis-homosesquiterpenoid whose biosynthesis has not been explained. In an attempt to do so, I have studied the incorporation of 14C- and 3H-labelled precursors into the carbon skeleton of C18-Juvenile Hormone (JH) both in adult male insects and in short-term tissue cultures of corpora allata, the glands which are known to secrete the hormone. In these studies, also, novel combinations of microchemical derivatization procedures and radiochemical purification sequences, involving thin-layer, high-pressure liquid, and electron capture gas chromatography were used to assess the extent of isotope incorporation into sub-nanogram amounts of biosynthetic JH. Thus, in in vivo incubations I recovered label derived from acetate, glucose, methionine, and to a lesser extent from iso-leucine and valine. Bis-homofarnesol, farnesol, leucine, 3-methyl-2-pentenol, propionate, and mevalonate did not contribute significantly to the formation of the carbon skeleton. In parallel in vitro incubations I recovered label in the JH fraction when glucose, acetate, or methionine served as precursor.
Managing Material Transfer and Nutrient Flow in an Agricultural Watershed

Place-based resource management, such as watershed or ecosystem management, is being promoted to replace the media-focused approach for achieving water quality protection. We monitored the agricultural area of a 740-ha watershed to determine the nature and scale of farm material transfers, N and P balances, and farmer decisions that influenced them. Using field data and farmer interviews we found that 3 of 15 farms, emphasizing hog, dairy, or cash crops with poultry production, accounted for more than 80% of the inputs and outputs of N and P for the 362-ha agricultural area (332 ha of managed cropland and animal facilities). Feed for hogs (38% each of total N and P) and manure applied to fields as part of the cash crop and poultry operation (28 and 38% of total N and P, respectively) were the dominant inputs. No crops grown in the watershed were fed to animals in the watershed and more manure nutrients were applied from animals outside than from those in the watershed. A strategic decision by the hog farmer to begin marketing finished hogs changed the material transfers and nutrient balances more than tactical decisions by other farmers in allocating manure to cropland. Since the components of agricultural production were not all interconnected, the fundamental assumption of place-based management programs is not well-suited to this situation. Alternative approaches to managing the effect of agriculture on water quality should consider the organization of agricultural production and the role of strategic decisions in controlling farm nutrient balances.
Spectral Power Iterations for the Random Eigenvalue Problem

Two computationally efficient algorithms are developed for solving the stochastic eigenvalue problem. An algorithm based on the power iteration technique is proposed for the calculation of the dominant eigenpairs. This algorithm is then extended to find other subdominant random eigenpairs. The uncertainty in the operator is represented by a polynomial chaos expansion, and a similar representation is considered for the random eigenvalues and eigenvectors. The algorithms are distinguished due to their speed in converging to the true random eigenpairs and their ability to estimate a prescribed number of subdominant eigenpairs. The algorithms are demonstrated on two examples with close agreement observed with the exact solution and a solution synthesized through Monte Carlo sampling.
Electrochemical synthesis of a pseudo-two-dimensional polytelluride containing Te2−12 anions: structure of [(C2H5)4N]2Te12

Abstract An unusual pseudo-two-dimensional polytelluride built up from Te2−12 anions was synthesized electrochemically from the cathodic dissolution reaction of an SbTe10 alloy electrode in an ethylenediamine solution of tetraethylammonium iodide, and represents the largest homoatomic polychacogenide anion characterized to date. The compound [(C2H5)4N]2Te12 crystallizes in the acentric monoclinic space group Pn (No. 7) with lattice constants of a = 7.934(1), b = 17.453(8) and c = 13.514(1) A , β = 104.671(10)° and V = 1810.4(7) A 3 , with Z = 2 and R(Rw) = 0.036(0.047). The structure consists of puckered Te122− chains, with internal Te-Te distances of 2.713(2)–2.881(2) A, loosely bound into infinite two-dimensional sheets via many Te-Te interactions in the range of 3.144(2)–3.504(2) A. These distances are somewhat shorter than the comparable interchain (2.835(2) A) and intrachain (3.495(3) A) Te-Te distances in elemental Te. The complete structure consists of these tellurium layers separated in the crystallographic b direction by layers of tetraethylammonium cations.
Strand scission of DNA in KB cells by macromomycin.

Abstract Macromomycin, an antitumor protein, produces strand scission of DNA in KB cells, which might appear to correlate with its concommitant inhibition of thymidine and uridine incorporation into nucleic acids. However, an acetyl derivative of macromomycin does not cause the same extent of strand breakage, yet it shows inhibitory and cytotoxic properties similar to the native protein. This is also seen in a derivative of macromomycin resulting from its reaction with the Bolton-Hunter reagent. Cesalin, another antitumor protein, does not possess DNA cleavage activity.
The role of adenosine 3′,5′-phosphate in the action of vasopressin on water permeability of toad bladders

Abstract Theophylline potentiates the vasopressin-like activity of cyclic AMP in toad bladders. Dichloroisoproterenol is highly inhibitory to the action of vasopressin and theophylline in this system; the activity of cyclic AMP is inhibited to a lesser extent. It is suggested that vasopressin action is mediated via increased net formation of cyclic AMP in this tissue.
Central nervous system lymphoma characterization by diffusion-weighted imaging and MR spectroscopy

PURPOSE The characterization and differentiation of central nervous system (CNS) lymphoma has important diagnostic, therapeutic, and prognostic significance. The purpose of this study is to characterize the diffusion-weighted imaging (DWI) and MR spectroscopic (MRS) findings in CNS lymphoma. MATERIALS AND METHODS Twenty consecutive patients (male [n= 12], female [n= 8]) with histopathologically proven CNS lymphoma were retrospectively evaluated during this study from July 2005 to April 2007. Patients included immunocompromised (n= 9) and immunocompetent (n= 11) individuals. MR Imaging (pretreatment n= 13), pre- and post-treatment (n= 7) included DWI (n= 20) (b = 1000s/mm2) and ADC (apparent diffusion coefficient) maps of all patients. MRS was performed (n= 10) with PRESS (point-resolved spectroscopy) sequence (multivoxel n= 8, single voxel n= 2) with a TE of 144 msec. All patients were histopathologically confirmed to have lymphoma by biopsy. RESULTS Areas of restricted diffusion were observed in 90 % (n= 18/20) on pretreatment scans. The diffusion restriction was variable on post-treatment scans. Median metabolite ratios in 10 patients were Cho/Cr- 2.12, NAA/Cho - .49, and NAA/Cr - 1.64. Presence of lactate or lipid was noted in 90 % (n= 9/10). Sites of lesion location were subcortical white matter (n= 6), basal ganglia (n= 4), corpus callosum (n= 3), extra-axial space including cavernous sinus (n= 5), cerebellum (n= 1), and lateral ventricle (n= 1). CONCLUSION Restricted diffusion is a consistent imaging finding in CNS lymphoma in immunocompetent patients. Spectroscopy is helpful in initial imaging diagnosis and post-treatment surveillance. These lesions are usually paraventricular in location. MR imaging appearances differ among immunocompetent and immunosuppressed individuals in most cases.
Production of Heart Sounds by the Cardiac Catheter

Extra heart sounds are frequently produced by the cardiac catheter in the human subject during routine cardiac catheterization. They are associated with a characteristic pressure artefact, which suggests that the sound is produced by back-and-forth movement of the catheter tip across the pulmonic valve. Similar sounds, and also murmurs, can be produced by catheter passage across pulmonary or aortic valves in excised canine hearts. The fact that such artificial sounds can be produced by the intracardiac catheter suggests gests that some caution must be used in interpreting phonocardiograms obtained during cardiac catheterization.
Heat Kernel Expansions in the Case of Conic Singularities

For positive elliptic differential operators Δ, the asymptotic expansion of the heat trace tr(e-tΔ) and its related zeta function ζ(s, Δ) = tr(Δ-s) have numerous applications in geometry and physics. This article discusses the general nature of the boundary conditions that must be considered when there is a singular stratum, and presents three examples in which a choice of boundary conditions at the singularity must be made. The first example concerns the signature operator on a manifold with a singular stratum of conic type. The second concerns the "Zaremba problem" for a nonsingular manifold with smooth boundary, posing Dirichlet conditions on part of the boundary and Neumann conditions on the complement; the intersection of these two regions can be viewed as a singular stratum of conic type, and a boundary condition must be imposed along this stratum. The third example is a one-dimensional manifold where the operator at one end has a singularity like that in conic problems, and the choice of boundary conditions affects not just the residues at the poles of the zeta function, but also the very location of the poles
Role of simulation in postgraduate medical education

Postgraduate medical education for technical skills had been completely informal - until the introduction of simulation technologies and methodologies. Adaptation of over 90 years' experience in other fields (military, aviation, astronauts, nuclear industry, etc.) proved simulation's value and has begun the adoption and adaptation by healthcare. The rationale and evidence for implementing simulation technologies into healthcare are reviewed.
Method for the Measurement of Transparency of Sheet Materials

Measurements of optical clarity of sheets of plastics and other materials are needed for communication and specification. These are particularly important for materials having such extremes of transparency as films used for packaging and diffusers for lighting fixtures.A method is described for measurement of specular transmittance at essentially 0° angle to the incident beam. Data correlate with observation over nearly five powers of ten for materials from optical glass to nearly perfect diffusers, including commonly used plastics films.
Positive contrast magnetic resonance imaging of cells labeled with magnetic nanoparticles

Contrast agents incorporating superparamagnetic iron-oxide nanoparticles have shown promise as a means to visualize labeled cells using MRI. Labeled cells cause significant signal dephasing due to the magnetic field inhomogeneity induced in water molecules near the cell. With the resulting signal void as the means for detection, the particles behave as a negative contrast agent, which can suffer from partial-volume effects. In this paper, a new method is described for imaging labeled cells with positive contrast. Spectrally selective RF pulses are used to excite and refocus the off-resonance water surrounding the labeled cells so that only the fluid and tissue immediately adjacent to the labeled cells are visible in the image. Phantom, in vitro, and in vivo experiments show the feasibility of the new method. A significant linear correlation (r = 0.87, P < 0.005) between the estimated number of cells and the signal was observed.
Planning in Low‐Income Families: Influence of Locus of Control and Dyadic Consensus on Realistic Standard Setting

Dyadic consensus was found to be significantly and positively related to realistic stan dard setting in planning for wives and husbands in this low-income sample. Locus of control, the antecedent variable, was positively and significantly related to dyadic consensus for both husbands and wives. The third significant relationship for wives and husbands was between annual income and locus of control. Education was found to have a significant, positive relationship with the assessment of planning for husbands, but not for wives. This finding represents a point of departure between the prediction models for wives and husbands.
Ethyl acetate and fusel oil determination in distilled spirits by gas‐liquid chromatography and confirmation by mass spectrometry

A gas-liquid chromatography (g.l.c.) method was developed for the determination of ethyl acetate, n-propyl, isobutyl, primary active amyl and isoamyl alcohol using Carbowax 400 as a liquid phase. These compounds were determined with a single injection at isothermal conditions with a minimum of bleed from the substrate. The procedure described, has certain points of advantage over the Official A.O.A.C. method because of improved column efficiency and resolution as shown in the separation of primary active amyl and isoamyl alcohols. Mass spectrometry was used to identify the individual compounds and to show its feasibility in such types of analysis.
Synthesis and Characterization of Bay Region Halohydrins Derived from Benzo[a]pyrene Diol Epoxide and Their Role as Intermediates in Halide-Catalyzed Cis Adduct Formation

The bay region epoxide of benzo[a]pyrene (anti-BPDE) alkylates DNA to form adducts with >98% trans stereochemistry. Halide ions catalyze this reaction; however, this pathway is characterized by the formation of adducts with altered cis stereochemistry. Bay region halohydrins are possible intermediates in these reactions, but are too unstable to be isolated from aqueous solutions. However, we successfully synthesized halohydrins in tetrahydrofuran (THF) by treatment of anti-BPDE with the corresponding lithium halide salt in the presence of acetic acid. Absorbance and CD spectroscopy clearly indicated the formation of chloro-, bromo-, and iodohydrins. The structure and stereochemistry of the chlorohydrin was established by NMR. Chloride addition is exclusively at the benzylic position of the epoxide, and the stereochemistry of the C-9 and -10 positions is trans. The long-wavelength absorbance band in the chloro-, bromo-, and iodohydrin is red-shifted 7, 13, and 22 nm, respectively, relative to the hydrolysis product of anti-BPDE. The ellipticity of the same absorbance band in CD spectra of enantiomerically pure halohydrins is opposite in sign compared to that of the corresponding anti-BPDE enantiomer. The relative stability of these derivatives is chlorohydrin > bromohydrin > iodohydrin. The chloro- and bromohydrins were isolated, but the iodohydrin decomposed during this manipulation. The addition of 500 mM chloride decreased the hydrolysis rate of the chlorohydrin 4-fold in 50% THF/buffer. Direct evidence for the transient formation of the iodohydrin in aqueous buffer/acetone mixtures was obtained by absorbance spectroscopy. At 1 M chloride, bromide, and iodide, alkylation of deoxyadenosine by anti-BPDE in aqueous buffer yields 85, 91, and 92% cis adducts, respectively. In the absence of halide, alkylation of deoxyadenosine in buffer by anti-BPDE, the chlorohydrin, and the bromohydrin yields 32, 65, and 83% cis adducts, respectively.
Electronic coupling between molybdenum and tungsten quadruple bonds in molecular squares and extended chains linked by oxalate, acetylenedicarboxylate, and perfluoroterephthalate bridges

The electronic structures of dicarboxylate-bridged complexes containing dimolybdenum and ditungsten quadruple bonds have been investigated using density function theory (gradient corrected and time-dependent), which reveals the consequences of strong mixing of M 2 δ and oxalate π orbitals within extended chains and cyclic structures. Where the bridge is oxalate, acetylene dicarboxylate, and perfluoroterephthalate (PFT), the M 2 centers are in all cases strongly coupled through M 2 δ to bridge π-conjugation. In the case of the chain compounds, this is strongly mediated by torsion angles along the chain. For the squares, only when the bridge is PFT is there a dependence on the orientation of the phenyl ring.
Nitro‐substituted poly(phenylene ether sulfone)

Polycondensation du sulfonyl-4,4' diphenol avec la bis(chloro-4 nitrophenyl) sulfone en presence de potasse et de 18-crown-6-ether
Methanol Chemistry on Cu and Oxygen-Covered Cu Nanoclusters Supported on TiO2(110)

The thermal decomposition of methanol has been studied on TiO2(110) as well as on Cu and oxygen-covered Cu nanoclusters supported on TiO2(110) using temperature programmed desorption (TPD). The sizes of the Cu clusters were characterized by scanning tunneling microscopy (STM). Methanol chemistry on the vacuum-annealed, reduced TiO2 surface itself produces ethylene as the main desorption product. Reoxidation of the TiO2 surface quenches the production of ethylene but also results in a new formaldehyde desorption peak at 870 K. The reactivity of methanol on small Cu nanoclusters (40.2 ± 7.0 A diameter, 12.7 ± 2.4 A height) is minimal, but trace amounts of formaldehyde, CO2, methane and H2 are detected in TPD experiments, demonstrating that the Cu nanoclusters are more active than bulk single-crystal Cu surfaces. On oxygen-covered Cu nanoclusters, methanol reaction produces formaldehyde and CO2 as the major gaseous products as well as H2, water, and methane. The yields of formaldehyde and CO2 increase as the...
Acetylation of N-terminal valine of glycine N-methyltransferase affects enzyme inhibition by folate

Abstract Native liver glycine N -methyltransferase (GNMT) is N -acetylated while the recombinant enzyme is not. We show here that acetylation of the N-terminal valine affects several kinetic parameters of the enzyme. Glycine N -methyltransferase is a regulatory enzyme mediating the availability of methyl groups by virtue of being inhibited by folate. N -acetylation does not affect the overall structure of the protein and does not affect basal enzyme activity of GNMT. Binding of both the mono- and pentaglutamate forms of 5-methyltetrahydrofolate is the same for the acetylated and non-acetylated forms of the enzyme, however the pentaglutamate form is bound more tightly than the monoglutamate form in both cases. Although binding of the folates is similar for the acetylated and non-acetylated forms of the enzyme, inhibition of enzyme activity differs significantly. The native, N -acetylated form of the enzyme shows 50% inhibition at 1.3 µM concentration of the pentaglutamate while the recombinant non-acetylated form shows 50% inhibition at 590 µM. In addition, the binding of folate results in cooperativity of the substrate S-adenosylmethionine (AdoMet), with a Hill coefficient of 1.5 for 5-methyltetrahydrofolate pentaglutamate.
Synthesising Evidence on the Impacts of Programmes and Policies in Education, Crime and Justice, and Social Welfare: Practical Recommendations Based on 14 Test-Bed Reviews.

Review teams tested the systematic review procedures and principles developed under the Campbell Collaboration Fourteen review teams selected topics for intervention reviews in social policy, education, and criminal justice. Review protocols gave criteria for the extensive research literature search. Randomised Controlled Trials were selected. Systematic reviewers should give careful attention to defining the review topic, Setting study inclusion and exclusion criteria, handling variability in outcome measurement and study reporting, appropriate uses of statistical meta-analysis, and reporting review results. Significant differences in review results were observed based on review criteria and procedures.
Countable sparse random graphs

For each irrational a, 0<a<1, a particular countable graph G is defined which mirrors the asymptotic behavior of the random graph G(n, p) with edge probability p = n−a.
Persistent gastrocutaneous fistula: Factors affecting the need for closure

Abstract Purpose The occurrence of gastrocutaneous fistula (GCF) is a well-known complication after gastrostomy tube placement. We explore multiple factors to ascertain their impact on the rate of persistent GCF formation. Methods We retrospectively reviewed patient records for all gastrostomies (GT) constructed at our institution from 2007 to 2011. Association of GCF with method of placement, concomitant fundoplication, neurologic findings, duration of therapy, and demographics was evaluated using logistic regression. Results Nine hundred fifty patients had GTs placed, of which 148 patients had GTs removed and 47 (32%) of 148 required surgical closure secondary to persistent GCF. Laparoscopic and open procedures comprised 79 (53%) of 148 and 69 (47%) of 148, respectively. Seventeen (22%) patients in the laparoscopic group developed persistent GCF, compared to 30 (43%) in the open group ( P =0.035, OR=2.52). Seventy-one patients had concomitant Nissen fundoplication. Thirty-one (44%) developed GCF, compared to 16 (21%) without a Nissen ( P =0.002, OR=4.94). Patients with button in place for 303days had persistent GCF incidence of 23%, compared to 45% at 540days ( P P =0.011, OR=4.51). Patients with device placed at 1.8months of age were more likely to develop GCF compared to those with device placed at 8.9months of age ( P =0.017, OR=2.35). Conclusion Open operations, concurrent Nissen and younger age at placement were all statistically significant factors causing persistent GCF.
Demand versus Supply in the Industrial Revolution: A Reply

I welcome Ari Ben-Shachar's spirited comment on my 1977 paper "Demand vs. Supply in the Industrial Revolution." When I wrote it, over eight years ago, I hoped that the paper would stimulate others to pursue some of the issues which the paper raised. Although Ben-Shachar, regrettably, presents no original research or novel ideas, his comment provides an opportunity to reexamine the demand hypothesis. He flatters me by implicitly assuming that the readers of this JOURNAL are aware of the central argument made by the paper. It seems useful to reiterate briefly the main points before turning to the difficulties raised by Ben-Shachar. I termed the "Gilboy thesis" the view which claimed that an exogenous shift in demand was a causal factor in the Industrial Revolution. I did not provide an exact definition of the Industrial Revolution, an omission I now regret, because it may have contributed to Ben-Shachar's difficulties.' But under the assumption that most readers were in agreement as to what was meant by the Industrial Revolution, I asked three questions: (1) Was there an exogenous increase in demand for industrial products before and in the early stages of the Industrial Revolution and if so, what caused it and how large was it? (2) Assuming that the answer is yes, could an increase in demand have been a causal factor in the Industrial Revolution, through dynamic effects such as demand-induced technological change, economies of scale and agglomeration, and interfirm external economies? (3) Again assuming that the answer to the first question is yes, could an increase in demand have led to the Industrial Revolution, by bringing into use previously unemployed resources? Now, Ben-Shachar has nothing to say about queries (2) and (3) concentrating his criticism on Part I of the paper, which was an exercise in comparative statics.2 He claims that I "dismiss Gilboy's argument simply by ignoring it." To the contrary, what I tried to do was to leave no stone unturned in giving the demand hypothesis every possible economic interpretation, howeVer fuzzily some of its proponents may have expressed it. I therefore may have gone too far in attributing to Gilboy's paper ideas that were not really there.3 Ben-Shachar's main complaint, however, seems
The Tropical Response to Extratropical Thermal Forcing in an Idealized GCM: The Importance of Radiative Feedbacks and Convective Parameterization

Abstract The response of tropical precipitation to extratropical thermal forcing is reexamined using an idealized moist atmospheric GCM that has no water vapor or cloud feedbacks, simplifying the analysis while retaining the aquaplanet configuration coupled to a slab ocean from the authors’ previous study. As in earlier studies, tropical precipitation in response to high-latitude forcing is skewed toward the warmed hemisphere. Comparisons with a comprehensive GCM in an identical aquaplanet, mixed-layer framework reveal that the tropical responses tend to be much larger in the comprehensive GCM as a result of positive cloud and water vapor feedbacks that amplify the imposed extratropical thermal forcing. The magnitude of the tropical precipitation response in the idealized model is sensitive to convection scheme parameters. This sensitivity as well as the tropical precipitation response can be understood from a simple theory with two ingredients: the changes in poleward energy fluxes are predicted using a ...
Generalized Integer Linear Programming Formulation for Optimal PMU Placement

Based on the integer linear programming formulation proposed for optimal PMU placement, this paper presents a generalized integer linear programming formulation for cases including redundant PMU placement, full observability and incomplete observability. Due to accurate voltage phasor measurement and current phasor measurements provided by PUM units, the accuracy, redundancy and thus the robustness of state estimation will be enhanced with the integration of PMU measurements. The problem of optimal placement of PMU for the redundant PMU placement, full observability and incomplete observability analysis needs to be studied, for various purposes and considerations. The proposed modeling approach by the author in another paper, which models PMU placement as an integer linear programming problem, is extended and generalized to satisfy different needs. Cases with and without zero injection measurements are considered. Simulation results on different power systems show that the proposed algorithm can be used in practice.
O-buffer: a framework for sample-based graphics

We present an innovative modeling and rendering primitive, called the O-buffer, as a framework for sample-based graphics. The 2D or 3D O-buffer is, in essence, a conventional image or a volume, respectively, except that samples are not restricted to a regular grid. A sample position in the O-buffer is recorded as an offset to the nearest grid point of a regular base grid (hence the name O-buffer). The O-buffer can greatly improve the expressive power of images and volumes. Image quality can be improved by storing more spatial information with samples and by avoiding multiple resamplings. It can be exploited to represent and render unstructured primitives, such as points, particles, and curvilinear or irregular volumes. The O-buffer is therefore a unified representation for a variety of graphics primitives and supports mixing them in the same scene. It is a semiregular structure which lends itself to efficient construction and rendering. O-buffers may assume a variety of forms including 2D O-buffers, 3D O-buffers, uniform O-buffers, nonuniform O-buffers, adaptive O-buffers, layered-depth O-buffers, and O-buffer trees. We demonstrate the effectiveness of the O-buffer in a variety of applications, such as image-based rendering, point sample rendering, and volume rendering.
A novel design for a MMIC 180 degree phase shifter

A novel circuit topology is discussed for the design a 180 degrees phase shifter. The approach exploited the dual nature of the tee and pi configurations of the lowpass and highpass filter topologies. The resulting configuration required fewer elements than conventional switched filter approaches and did not require complementary control voltages. It has been realized by using MESFETs. When the switching elements are in the low-impedance state, the circuit becomes a highpass pi network. In the high-impedance state, the network forms a lowpass tee network. This topology requires only a single control signal halving the complexity of the switch driver. Additionally, the number of phase shifting components is reduced to only two inductors and two capacitors. >
Joint learning of logic relationships for studying protein function using phylogenetic profiles and the rosetta stone method

Identifying logic relationships between proteins is essential for understanding their function within cells. Previous studies have been done to infer protein logic relationships using pairwise and triplet logic analysis on phylogenetic profiles. Other computational methods have also been developed using pairwise analysis on Rosetta Stone data to infer protein functional linkages. (Proteins that share the same metabolic pathway or a common structural complex are said to be functionally linked.) This paper describes a Bayesian modeling framework for combining phylogenetic profile data via a likelihood with Rosetta Stone data via a prior probability. Based on the proposed framework, a general method is developed for jointly learning high-order logic relationships among proteins whose presence or absence can be identified by logic functions. The method is applied to analyze protein triplets and quartets on phylogenetic profile and Rosetta Stone data sets with 140 clusters of orthologous genes (COGs). The biological meaning of the top 30 significant triplets are further verified using the KEGG and NCBI databases. Over 50% of the discovered relationships that are associated with high significant scores could not be inferred using phylogenetic profile or Rosetta Stone data alone. The statistical analysis in this paper shows that all significant quartets have p-values /spl les/5.71E-04. Many of them assign putative functional roles on uncharacterized proteins.