cssi/SciSciGPT-SciSciNet huggingface dataset:
From First-Principles to Catalytic Turnovers: Ethylene Hydrogenation Over Palladium

Abstract We present a first-principles-based dynamic Monte Carlo method which can be used to model the kinetics of metal catalyzed reaction systems by following the explicit atomic surface structure and individual molecular transformations. The approach uses first-principle density functional quantum chemical calculations to build a comprehensive database of adsorption energies, overall reaction energies, activation barriers, and intermolecular interaction energies. The ab initio calculated lateral interaction energies were subsequently used to develop more approximate but universal interaction models that could be used in-situ in the MC. A radial function model and a bond order conservation model were both developed. The simulation algorithm was used herein to examine ethylene hydrogenation over palladium. The results indicate that it is the repulsive interactions in the adlayer that weaken the metal-carbon and metal-hydrogen bonds thus lowering the barriers for hydrogenation from 15 for ethylene to ethyl and 14.5 for ethyl to ethane to 8.5 and 8.0 kcal/mol for the same steps taken at higher surface coverages. The simulation results provide a very good match against known experiment results. The simulation was subsequently used to examine both the effects of alloying and surface structure. The addition of gold decreased the overall turnover number simply because the number of sites was reduced. On a per palladium basis, however, the activity remains approximately the same. The addition of gold indirectly leads to less hydrogen on the surface since it shuts down H 2 dissociation steps. This, however, is countered by a reduction in the metal-hydrogen bond strength which helps to enhance the activity. These two features tend to balance one another out as the turnover frequencies remain nearly constant. We provide a simple cursory look at the effects of surface structure by examining the changes in the kinetics over Pd(100) and Pd(111) surfaces. The barriers over these two surfaces are 7.1 and 6.4 kcal/mol respectively suggesting that the chemistry is relatively structure insensitive.
Consolidation, Fragmentation, and the Disclosure of Trading Information

It is commonly believed that fragmented security markets have a natural tendency to consolidate. This article examines this belief focusing on the effect of disclosing trading information to market participants. We show that large traders who place multiple trades can benefit from the absence of trade disclosure in a fragmented market, as can dealers who face less price competition than in a unified market. Consequently, a fragmented market need not coalesce into a single market unless trade disclosure is mandatory. We also compare and contrast fragmented and consolidated markets. Fragmentation results in higher price volatility and violations of price efficiency. Article published by Oxford University Press on behalf of the Society for Financial Studies in its journal, The Review of Financial Studies.
A Three-Stage Quantum Cryptography Protocol

We present a three-stage quantum cryptographic protocol based on public key cryptography in which each party uses its own secret key. Unlike the BB84 protocol, where the qubits are transmitted in only one direction and classical information exchanged thereafter, the communication in the proposed protocol remains quantum in each stage. A related system of key distribution is also described.
New building blocks for iminosugars: a concise synthesis of polyhydroxylated N -alkoxypiperidines through an intramolecular azepine ring contraction

Polyhydroxylated piperidines are a functionally rich class of biologically active molecules that have broad therapeutic potential. Recently developed aza-[4 + 3] cycloadditions of putative aza-oxyallylic cations provide heterocyclic scaffolds that enabled a concise synthesis of polyhydoxylated piperidines. Chemoselective amide reduction and reductive hemiaminal ring opening was achieved in one pot by the action of aluminium hydride generated in situ via aluminium chloride and lithium aluminium hydride. Aziridinium ion mediated ring contraction and chloride displacement was triggered by silver acetate, followed by simple acetate hydrolysis using potassium carbonate to give four tetrahydropyridine diols. Olefin oxidation by osmium tetroxide installed the final hydroxyl groups, which yielded four novel polyhydroxylated N-alkoxypiperidines in good overall yield and high diastereoselectivity.
Olefination Reactions in the Synthesis of Cyclophanes

A survey of olefination reactions that have been used in the synthesis of cyclophanes is presented. This covers the Ramberg–Backlund reaction, the Wittig and related reactions, the McMurry and related reactions, ring-closing metathesis (alkenes, alkynes and ene-ynes), aldol condensations and Siegrist reactions, as well as miscellaneous reactions. The McMurry reaction and ring-closing metathesis have enjoyed the greatest popularity in recent years, but they are typically used for complementary purposes. In virtually all cases, the McMurry reaction is used to install a two-carbon (1,2-ethenylene) bridge, whereas ring-closing metathesis is used to construct bridges that are at least four-membered, but usually considerably longer. Some well-known olefinations have seen little or no use in the field of cyclophane chemistry.
MUSiCC: a marker genes based framework for metagenomic normalization and accurate profiling of gene abundances in the microbiome

Functional metagenomic analyses commonly involve a normalization step, where measured levels of genes or pathways are converted into relative abundances. Here, we demonstrate that this normalization scheme introduces marked biases both across and within human microbiome samples, and identify sample- and gene-specific properties that contribute to these biases. We introduce an alternative normalization paradigm, MUSiCC, which combines universal single-copy genes with machine learning methods to correct these biases and to obtain an accurate and biologically meaningful measure of gene abundances. Finally, we demonstrate that MUSiCC significantly improves downstream discovery of functional shifts in the microbiome. MUSiCC is available at http://elbo.gs.washington.edu/software.html .
Centralizers of Toeplitz Operators with Polynomial Symbols

In this note we describe centralizers of Toeplitz operators with polynomial symbols on the Bergman space. As a consequence it is shown that if an element of the norm closed algebra generated by all Toeplitz operators commutes with a Toeplitz operator of a nonconstant polynomial, then this element is a Toeplitz operator of a holomorphic function.
PRECISION RADIAL VELOCITIES WITH CSHELL

Radial velocity (RV) identification of extrasolar planets has historically been dominated by optical surveys. Interest in expanding exoplanet searches to M dwarfs and young stars, however, has motivated a push to improve the precision of near-infrared RV techniques. We present our methodology for achieving 58 m s^(–1) precision in the K band on the M0 dwarf GJ 281 using the CSHELL spectrograph at the 3 m NASA Infrared Telescope Facility. We also demonstrate our ability to recover the known 4 M_(JUP) exoplanet Gl 86 b and discuss the implications for success in detecting planets around 1-3 Myr old T Tauri stars.
Time-dependent transport in open systems based on quantum master equations

Electrons in the active region of a nanostructure constitute an open many-body quantum system, interacting with contacts, phonons, and photons. We review the basic premises of the open system theory, focusing on the common approximations that lead to Markovian and non-Markovian master equations for the reduced statistical operator. We highlight recent progress on the use of master equations in quantum transport, and discuss the limitations and potential new directions of this approach.
The geometry of phase mixing

Partially phase-mixed structures in galaxies occupy a complex surface of dimension D in six-dimensional phase space. The appearance of such structures to observers is determined by their projection into a subspace whose dimensionality K is determined by the number of observables (e.g. sky position, distance, radial velocity, etc.). We discuss the expected dimensionality of phase-space structures and suggest that the most prominent features in surveys with K ≥ D will be stable singularities (catastrophes). The simplest of these are the shells seen in the outer parts of elliptical galaxies.
Create a new era of Islamic‐Western relations by supporting community development

The United States should take the lead in mobilizing the financial resources of the international community to support a new and radical approach to foreign aid for Islamic countries. This approach – a shift from large‐scale aid to the countries themselves or in the form of massive state‐controlled projects, both managed by central governments – to smaller, community‐directed initiatives across countries – can reap dramatic benefits. There is strong evidence to suggest that supporting communities in achieving their selfdescribed goals will help secure the economic future of Morocco and Jordan, which are entering into a free trade era with theWest, will help resolve the seemingly intractable Israeli‐Palestinian conflict, and significantly further the economic and political reconstruction of Iraq and Afghanistan. As the local development process unfolds, it would marginalize secular and religious extremists, thereby strengthening international security. And by providing through this form of aid a vehicle for successful public diplomacy, the United States would foster an environment where mutual understanding on broader geopolitical issues is attainable. If realized, these profound benefits will be achieved by local communities creating prosperity through a pluralist democratic process. The United States and other nations should make funding of community‐initiated development in Islamic nations the highest priority, which can pave the way towards a new era of Islamic‐Western relations.
Iatrogenic Rheumatic Syndromes in the Elderly

Rheumatic complaints are common in the geriatric population. However, uncommonly autoimmune or musculoskeleteal complaints and disorders may arise as a consequence of pharmacotherapy. These rare events include stain myopathy, drug-induced lupus, arthralgias, vasculitis, or tight skin syndromes. This article discusses the possible iatrogenic causes of rheumatic conditions, potential inciting agents, and the various types of rheumatic manifestations seen in the elderly.
General dynamics in the Restricted Full Three Body Problem

Abstract The problem of a binary system and a spacecraft in its gravity field is studied. As the mass distribution of the bodies is considered, the two problems are referred as the Full Two Body Problem (F2BP) and the Restricted Full Three Body Problem (RF3BP), respectively. The conditions for relative equilibria and their stability in the F2BP were derived for an ellipsoid–sphere system. As the non-equilibrium problem is more common in nature, we look at periodic orbits in the F2BP close to the relative equilibrium conditions. It is found that families of periodic orbits can be computed where the minimum energy state of one family is the relative equilibrium state. An approximation method was derived in order to facilitate the computation of periodic orbits near relative equilibria while keeping the interesting dynamical features. The next step is to make the connection between the dynamics of the RF3BP and the F2BP. In the current paper, we solve for the dynamics of the F2BP and substitute this model in the RF3BP. We provide a basic investigation of the dynamics of a particle in the gravitational field of this binary system. We show results in the F2BP and the RF3BP.
Multi-scale structural and tensile mechanical response of annulus fibrosus to osmotic loading.

This study investigates differential multi-scale structure and function relationships of the outer and inner annulus fibrosus (AF) to osmotic swelling in different buffer solutions by quantifying tensile mechanics, glycoasaminoglycan (GAG) content, water content and tissue swelling, and collagen fibril ultrastructure. In the outer AF, the tensile modulus decreased by over 70% with 0.15 M PBS treatment but was unchanged with 2 M PBS treatment. Moreover, the modulus loss following 0.15 M PBS treatment was reversed when followed by 2 M PBS treatment, potentially from increased interfibrillar and interlamellar shearing associated with fibril swelling. In contrast, the inner AF tensile modulus was unchanged by 0.15 M PBS treatment and increased following 2 M treatment. Transmission electron microscopy revealed that the mean collagen fibril diameters of the untreated outer and inner AF were 87.8 ± 27.9 and 71.0 ± 26.9 nm, respectively. In the outer AF, collagen fibril swelling was observed with both 0.15 M and 2 M PBS treatments, but inherently low GAG content remained unchanged. In the inner AF, 2 M PBS treatment caused fibril swelling and GAG loss, suggesting that GAG plays a role in maintaining the structure of collagen fibrils leading to modulation of the native tissue mechanical properties. These results demonstrate important regional variations in structure and composition, and their influence on the heterogeneous mechanics of the AF. Moreover, because the composition and structure is altered as a consequence of progressive disk degeneration, quantification of these interactions is critical for study of the AF pathogenesis of degeneration and tissue engineering.
N-triphenylphosphorylidene-1-(benzotriazol-1-yl)methylamine, a novel synthon equivalent to +CH2NH2: The preparation of primary amines

Abstract Primary amines are readily prepared by reaction of the title compound with organolithiums or Grignard reagents.
Crystal chemistry of carbon-substituted MgB2

Abstract Neutron powder diffraction has been used to characterize a sample of C-substituted MgB 2 synthesized from Mg and B 4 C (with isotopically enriched 11 B). The sample is multiphase, with the major phase [73.4(1) wt%] being Mg(B 1− x C x ) 2 with x =0.10(2). Minor phases include MgB 2 C 2 , Mg, and MgO. The major Mg(B 1− x C x ) 2 phase displays diffraction peak widths as sharp as for pure MgB 2 , indicating good C homogeneity. There is no evidence for ordering of the substituted C atoms or distortion of the host structure other than contraction of the a axis and slight expansion of the c axis. The observed changes in lattice parameters vs. C concentration provide a means for estimating the C concentration in other Mg(B 1− x C x ) 2 samples. The reduction in T c resulting from 10% C substitution is much larger than previously reported, suggesting that previous reports of the C concentration in Mg(B 1− x C x ) 2 are overestimated. The Mg site occupancy is determined to be 0.990(4) which is consistent with full Mg occupancy. Given these results, the stoichiometry Mg(B 0.9 C 0.1 ) 2 should be used by future attempts (band structural or otherwise) to explain (i) the dramatic suppression of T c ( T c ≈22 K) and (ii) the persistence of the two-superconducting-gap feature in the specific heat data.
Coarsening polyhedral complexes

Given a polyhedral complex C with convex support, we characterize, by a local codimension-2 condition, polyhedral complexes that coarsen C. The proof of the characterization draws upon a surprising general shortcut for showing that a collection of polyhedra is a polyhedral complex and upon a property of hyperplane arrangements which is equivalent, for Coxeter arrangements, to Tits' solution to the Word Problem. The motivating special case, the case where C is a complete fan, generalizes a result of Morton, Pachter, Shiu, Sturmfels, and Wienand that equates convex rank tests with semigraphoids. The proof of the main result also implies a special case of Tietze's convexity theorem. We also prove oriented matroid versions of our results, obtaining, as a byproduct, an oriented matroid version of Tietze's convexity theorem.
Second harmonic generation in gallium phosphide photonic crystal nanocavities with ultralow continuous wave pump power

We demonstrate second harmonic generation in photonic crystal nanocavities fabricated in the semiconductor gallium phosphide. We observe second harmonic radiation at 750 nm with input powers of only nanowatts coupled to the cavity and conversion efficiency Pout/P2in,coupled=430%/W. The large electronic band gap of GaP minimizes absorption loss, allowing efficient conversion. Our results are promising for integrated, low-power light sources and on-chip reduction of input power in other nonlinear processes.
Domains of Mobility for a Planar Body Moving Among Obstacles

A formulation is presented for defining domains of mobility for a planar convex body moving with three degrees-of-freedom among convex planar obstacles. Applications included are determination of areas of a factory floor or material storage facility in which objects can be manipulated without impacting fixed obstacles. Mobility of the moving body is defined to encompass (I) dexterous mobility of the body; i.e., points that can be reached by a reference point on the body and at which the body can be rotated through a specified range of admissible orientations without penetrating any stationary obstacle, and (2) limited mobility of the body; i.e., points that can be reached by the reference point and at which the body does not penetrate any stationary obstacle, for some admissible orientation. Analytical criteria for points on boundaries of domains of mobility are derived and numerical methods suitable for mapping these boundaries are summarized. An elementary example involving a moving and a stationary ellipse, with and without orientation restrictions, is solved analytically to illustrate the method. A more general application with one moving body and three stationary obstacles is solved numerically.
Effects of Kerr Strong Gravity on Quasar X-Ray Microlensing

Recent quasar microlensing observations have constrained the sizes of X-ray emission regions to be within about 10?gravitational radii of the central supermassive black hole. Therefore, the X-ray emission from lensed quasars is first strongly lensed by the black hole before it is lensed by the foreground galaxy and star fields. We present a scheme that combines the initial strong lensing of a Kerr black hole with standard linearized microlensing by intervening stars. We find that X-ray microlensed light curves incorporating Kerr strong gravity can differ significantly from standard curves. The amplitude of the fluctuations in the light curves can increase or decrease by ~0.65-0.75?mag by including Kerr strong gravity. Larger inclination angles give larger amplitude fluctuations in the microlensing light curves. Consequently, current X-ray microlensing observations can under or overestimate the sizes of the X-ray emission regions. We estimate this bias using a simple metric based on the amplitude of magnitude fluctuations. The half-light radius of the X-ray emission region can be underestimated by up to ~50% or overestimated by up to ~20% depending on the spin of the black hole, the emission profile, and the inclination angle of the observer. Underestimates were found in most situations we investigated. The only exception was for a disk with large spin and a radially flat emission profile, observed nearly face-on. We thus conclude that more accurate microlensing size constraints should be obtainable by including Kerr lensing. We also find that the caustic crossing time can differ by months when Kerr strong gravity is included. A simultaneous monitoring of gravitational lensed quasars in both X-ray and optical bands with densely sampled X-ray light curves should reveal this feature. We conclude that it should be possible to constrain important parameters such as inclination angles and black hole spins from combined Kerr and microlensing effects.
Tellurium-triggered formation of racemic and non-racemic allylic amines from aziridinemethanol derivatives

Abstract Sharpless epoxidation, aminohydroxylation, and aziridination procedures provide substrates for the tellurium-triggered synthesis of racemic and non-racemic allylic amines under phase-transfer conditions.
Current management of bacterial meningitis.

The implementation of universal Haemophilus conjugate vaccine immunization in infancy has virtually eliminated H. influenzae type b sepsis and meningitis in the developed worlds. As a result, pneumococci and meningococci are the major pathogens of meningitis in infants and children. Management considerations are based on outcome from treatment of these two organisms.
Scaling behavior of disordered lattice fermions in two dimensions

We propose a lattice model for Dirac fermions which allows us to break the degeneracy of the node structure. In the presence of a random gap we analyze the scaling behavior of the localization length as a function of the system width within a numerical transfer-matrix approach. Depending on the strength of the randomness, there are different scaling regimes for weak, intermediate and strong disorder. These regimes are separated by transitions that are characterized by one-parameter scaling.
Quality improvement through product redesign and the learning curve

Abstract This paper presents a dynamic programming model for studying the effects of product redesign on the value, cost, and quality control processes in a single product environment. The model provides the optimal redesign policy, that is the optimal depth and the optimal timing for implementing the redesign, so the accumulated net product value can be maximized. The accumulated net product value is used as a measure of product quality, however the model formulation allows for the use of other quality functions as well. The model can be used with different sets of learning rates and cost data. It can be also used with non-uniform learning rates among the different processes, and non-uniform redesign effects on the value, cost, and quality control learning curves. Selective results demonstrate that the early implementation of the optimal redesign level enhances the accumulated net product value.
Informed Consent: The Rate-Limiting Step in Acute Stroke Trials

Successful implementation of a randomized clinical trial (RCT) for neuro-vascular emergencies such as cerebral infarction, intracerebral hemorrhage (ICH), or subarachnoid hemorrhage (SAH) is difficult. Besides establishing an accurate, hyper-expedited diagnosis among many mimics in a person with acute neurological deficits, informed consent must be obtained from this vulnerable group of patients who may be unable to convey their own wishes, grasp the gravity of their situation, or give a complete history or examination. We review the influences, barriers, and factors investigators encounter when providing established and putative stroke therapies, and focus on informed consent, the most important research protector of human subjects, as the rate-limiting step for enrollment into acute stroke RCTs. The informed consent process has received relatively little attention in the stroke literature, but is especially important for stroke victims with acute cognitive, aural, lingual, motor, or visual impairments. Consent by a surrogate may not accurately reflect the patient’s wishes. Further, confusion about trial methodology, negative opinions of placebo-controlled studies, and therapeutic misconception by patients or surrogates may impede trial enrollment and requires further study. Exception From Informed Consent (EFIC) offers an opportunity that is rarely if ever utilized for stroke RCTs. Ultimately, advancing the knowledge base and treatment paradigms for acute stroke is essential but autonomy, beneficence (non-malfeasance), and justice must also be carefully interwoven into any well-designed RCT.
Efficient synthesis of imidazoles from aldehydes and 1,2-diketones using microwave irradiation.

A simple, high-yielding synthesis of 2,4,5-trisubstituted imidazoles from 1,2-diketones and aldehydes in the presence of NH4OAc is described. Under microwave irradiation, alkyl-, aryl-, and heteroaryl-substituted imidazoles are formed in yields ranging from 80 to 99%. Short syntheses of lepidiline B and trifenagrel illustrate the utility of this approach.
Ordering Phenomena on Growing Films

Abstract In many growth processes particles are highly mobile in an active layer at the surface, but are relatively immobile once incorporated in the bulk. We study models in which atoms are allowed to interact, equilibrate, and order on the surface, but are frozen in the bulk. Order parameter correlations in the resulting bulk material are highly anisotropic, reflecting its growth history. In a flat (layer by layer) growth mode, correlations perpendicular to the growth direction are similar to a two dimensional system in equilibrium, while parallel correlations reflect the dynamics of such a system. When the growing film is rough, various couplings between height and order parameter fluctuations are possible. Such couplings modify the dynamic scaling properties of surface roughness, and may also change the critical behaviour of the order parameter. Even the deterministic growth of the surface profile can result in interesting textures for the order parameter.
On the zero‐dispersion limit of the benjamin‐ono cauchy problem for positive initial data

We study the Cauchy initial-value problem for the Benjamin-Ono equation in the zero-dispersion limit, and we establish the existence of this limit in a certain weak sense by developing an appropriate analogue of the method invented by Lax and Levermore to analyze the corresponding limit for the Korteweg–de Vries equation. © 2010 Wiley Periodicals, Inc.
Should we ask our children about sex, drugs and rock & roll? Potentially harmful effects of asking questions about risky behaviors

Research shows that asking questions can fundamentally change behavior. We review literature on this question-behavior effect, which demonstrates that asking questions changes both normal and risky behaviors. We discuss potential explanations for the effect and review recent findings that reveal interesting moderators of the influence of questions on behavior. We then highlight the potential impact of the question-behavior effect in an important public health context: screening adolescents for risky behavior. While medical guidelines emphasize the importance of asking adolescents questions about substance (drug, alcohol) use and sexual behaviors, research on the question-behavior effect suggests that asking adolescents about risky behaviors has the potential to increase the frequency with which they engage in these behaviors. We argue that the act of screening or measuring risky behavior is potentially counterproductive. We emphasize the importance of interventions beyond screening, and suggest ways in which screening can be carried out to minimize its impact. In short, asking questions about behaviors can change behavior, and asking questions about risky behaviors may itself be a risky undertaking.
The kinetic resolution of allylic alcohols by a non-enzymatic acylation catalyst; application to natural product synthesis

A planar-chiral DMAP derivative is shown to serve as an effective catalyst for the kinetic resolution of allylic alcohols; to illustrate its practical utility, the catalyst is applied to the resolution of two alcohols that have been employed as intermediates in recent natural product total syntheses.
DAVEY-STEWARTSON EQUATION FROM A ZERO CURVATURE AND A SELF-DUALITY CONDITION

We derive the two equations of Davey-Stewartson type from a zero curvature condition associated with SL(2, ℝ) in (2+1) dimensions. We show in general how a (2+1)dimensional zero curvature condition can be obtained from the self-duality condition in (3+3) dimensions and show in particular how the Davey-Stewartson equations can be obtained from the self-duality condition associated with SL(2, ℝ) in (3+3) dimensions.
Substructure System Identification and Synthesis

This paper explores the possibility of performing system identification at the substructure level and then synthesizing the results to obtain an analysis model for the assembled structure. The study here shows that to produce exact substructure coupling, the input-output transfer function relations among all of the interface degrees of freedom must be measured. Procedures for assembling substructure transfer function data, substructure state-space models, and substructure Markov parameters are presented. Some potential testing difficulties and possible solution approaches are also discussed. A mass-loaded interface approach is proposed to produce interface excitations without using actuators. A spring-supported boundary approach is developed for the testing of free substructures. Some feasible testing setups for the measurement and excitation of the interface rotational degrees of freedom are also included. The proposed methods are illustrated by a numerical example.
Monosubstituted guanidines from primary amines and aminoiminomethanesulfonic acid

Abstract Aminoiminomethanesulfonic acid, H 2 N-C(NH)SO 3 H, converts primary amines to the corresponding guanidine derivatives at 20°C. This crystalline reagent is readily prepared by the peracetic acid oxidation of fonnamidinesulfim'c acid, H 2 N-C(NH)SO 2 H. The synthesis is illustrated by a representative group of simple monosubstituted guanidines shown in Table I.
The Architectural Evolution of a High-Performance Graphics Terminal

By using a microcoded picture processor, Tektronix engineers were able to meet higher performance requirements within the tight constraints set by an existing family of terminals.
Consumer privacy in oligopolistic markets: Winners, losers, and welfare

Motivated by the unprecedented availability of consumer information on the Internet, we characterize the winners and losers from potential privacy regulation in the context of four commonly-used oligopoly models: a linear city model, a circular city model, a vertical differentiation model, and a multi-unit symmetric demand model. We show that while there are winners and losers as a result of privacy enforcement, the parties who stand to benefit and the parties who stand to lose, as well as whether social welfare is enhanced or diminished, largely depends on the specific economic setting under consideration.
Methaqualone derivatives are potent noncompetitive AMPA receptor antagonists

Quinazolin-4-one derivatives of methaqualone substituted at C-2 define a new class of noncompetitive antagonists at AMPA receptors.
Hardness of Finding Independent Sets in 2-Colorable Hypergraphs and of Satisfiable CSPs

This work revisits the PCP Verifiers used in the works of Hastad [Has01], Guru swami et al. [GHS02], Holmerin[Hol02] and Guruswami[Gur00] for satisfiable Max-E3-SAT and Max-Ek-Set-Splitting, and independent set in 2-colorable 4-uniform hyper graphs. We provide simpler and more efficient PCP Verifiers to prove the following improved hardness results: Assuming that NP not subseteq DTIME(N^{O(log log N)}), There is no polynomial time algorithm that, given an n-vertex 2-colorable 4-uniform hyper graph, finds an independent set of n/(log n)^c vertices, for some constant c > 0. There is no polynomial time algorithm that satisfies 7/8 + 1/(log n)^c fraction of the clauses of a satisfiable Max-E3-SAT instance of size n, for some constant c > 0. For any fixed k >= 4, there is no polynomial time algorithm that finds a partition splitting (1 - 2^{-k+1}) + 1/(log n)^c fraction of the k-sets of a satisfiable Max-Ek-Set-Splitting instance of size n, for some constant c > 0. Our hardness factor for independent set in 2-colorable 4-uniform hyper graphs is an exponential improvement over the previous results of Guruswami et al. [GHS02] and Holmerin[Hol02]. Similarly, our inapproximability of (log n)^{-c} beyond the random assignment threshold for Max-E3-SAT and Max-Ek-Set-Splitting is an exponential improvement over the previous bounds proved in [Has01], [Hol02] and [Gur00]. The PCP Verifiers used in our results avoid the use of a variable bias parameter used in previous works, which leads to the improved hardness thresholds in addition to simplifying the analysis substantially. Apart from standard techniques from Fourier Analysis, for the first mentioned result we use a mixing estimate of Markov Chains based on uniform reverse hypercontractivity over general product spaces from the work of Mossel et al. [5], [6].
The synthesis of Plicatin B via the Heck reaction

Abstract The anti-microbial natural product Plicatin B has been synthesized in 53% overall yield using a Heck reaction as the key step. The optimum conditions for this reaction have been determined. Halophenols proved much less reactive than their corresponding acetates.
Phase field model of premelting of grain boundaries

Abstract We present a phase field model of solidification which includes the effects of the crystalline orientation in the solid phase. This model describes grain boundaries as well as solid–liquid boundaries within a unified framework. With an appropriate choice of coupling of the phase field variable to the gradient of the crystalline orientation variable in the free energy, we find that high-angle boundaries undergo a premelting transition. As the melting temperature is approached from below, low-angle grain boundaries remain narrow. The width of the liquid layer at high-angle grain boundaries diverges logarithmically. In addition, for some choices of model coupling, there may be a discontinuous jump in the width of the fluid layer as function of temperature.
On the choice of coarse variables for dynamics

Two ideas for the choice of an adequate set of coarse variables allowing approximate autonomous dynamics for practical applications are presented. The coarse variables are meant to represent averaged behavior of a fine-scale autonomous dynamics.
Structure of Topological Lattice Field Theories in Three Dimensions

We construct and classify topological lattice field theories in three dimensions. After defining a general class of local lattice field theories, we impose invariance under arbitrary topology-preserving deformations of the underlying lattice, which are generated by two new local lattice moves. Invariant solutions are in one-to-one correspondence with Hopf algebras satisfying a certain constraint. As an example, we study in detail the topological lattice field theory corresponding to the Hopf algebra based on the group ring C[G], and show that it is equivalent to lattice gauge theory at zero coupling, and to the Ponzano-Regge theory for G = SU(2).
Will Women Lead the Way? Differences in Demand for Corporate Social Responsibility Information for Investment Decisions

Recent years have featured a leap in academic and public interest in Corporate Social Responsibility (CSR) activities and related corporate reporting. Two main themes in this literature are the exploration of management incentives to engage in and disclose this information, and of the use and value of this information to market participants. We extend the second theme by examining the interest that specific investor classes have in the use of CSR information. We rely on feminist intersectionality, which suggests that gender intersects with other identities to yield different values, experiences, and opportunities that can lead to gender-based preferences for CSR information. Based upon a survey of 750 US-based retail investors, we find that female retail investors have a greater interest in the use of CSR information, relative to male retail investors. Women express greater anticipated future demand for this information than do men. Further, the magnitude of the increase from current use to anticipated future demand is greater for women than men. Age is a significant modifying factor in that the discrepancy between women of any age and older men is greater than that between women and younger men. Finally, women also exhibit greater demand for streamlining of the information flow, consistent with pressures induced by time poverty. It appears that current disclosure practices provide a less than optimal match with the needs of the information consumers that are primarily interested in using this information. This mismatch may result in a systematic disenfranchisement of female investing classes which suggests an ethical need to level the playing field.
Thermal Cycle Dideoxy DNA Sequencing

Thermal cycle dideoxy DNA sequencing eliminates the requirements for independent primer annealing and double-stranded DNA denaturation steps. The method enables sequencing from nanogram amounts of DNA from double-stranded and single-stranded PCR products, and plasmid or phage DNA templates. Thermal cycle sequencing also enables direct sequencing from bacterial colonies or phage plaques. Protocols using the Vent exo− DNA polymerase, helpful suggestions, and a troubleshooting guide are also presented.
How do local actions affect VMT? A critical review of the empirical evidence

Abstract In this paper, we present a discussion of the challenges for research on the topic of vehicle miles traveled. We then summarize and critique evidence from the US on the association between 14 distinct factors and vehicle miles traveled. Our results quantify how much vehicle miles traveled can be expected to change in response to changes in policy or land use factors, including residential density and land use mix, as well as specific transport policies and programs such as transit improvements, road pricing, and programs aimed at changing people’s travel choices. Overall, though individual studies differ as to exact effect sizes, it is clear that local-level policymakers can take actions that are likely to affect vehicle miles traveled. However, we highlight gaps in the knowledge base at a time when decision makers at the local level are being increasingly called upon to take action to reduce vehicle miles traveled. Variation in effect size based on local context or interaction with related policies and programs has been left largely unexplored. In addition, experimental research designs that can identify causal direction are rare, and appropriate data that quantifies vehicle miles traveled are often lacking.
Vaccine liability in the Supreme Court: forging a social compact.

ON FEBRUARY 22, 2011, THE US SUPREME COURT decided Bruesewitz v Wyeth LLC, holding that the National Childhood Vaccine Injury Act of 1986 (NCVIA) preempts all design defect claims against vaccine manufacturers in which the plaintiff seeks compensation for injury or death caused by a vaccine’s adverse effects. The public health implications are profound because Congress designed the NCVIA to safeguard a social compact—ensuring access to vaccines by preventing the uncertainty of litigation, while also ensuring vaccine safety and effectiveness.
Universal Drinfeld-Sokolov reduction and matrices of complex size

We construct affinization of the algebra\(\mathfrak{g}\mathfrak{l}_\lambda\) of “complex size” matrices, that contains the algebras\(\hat g\mathfrak{l}_n\) for integral values of the parameter. The Drinfeld-Sokolov Hamiltonian reduction of the algebra\(\hat g\mathfrak{l}_\lambda\) results in the quadratic Gelfand-Dickey structure on the Poisson-Lie group of all pseudodifferential operators of complex order.
Targeting Low-Energy Ballistic Lunar Transfers

Numerous low-energy ballistic transfers exist between the Earth and Moon that require less fuel than conventional transfers, but require three or more months of transfer time. An entirely ballistic lunar transfer departs the Earth from a particular declination at some time in order to arrive at the Moon at a given time along a desirable approach. Maneuvers may be added to the trajectory in order to adjust the Earth departure geometry or time in order to meet mission requirements. In this article, we develop a method to determine the locations of one or two maneuvers along a transfer such that a spacecraft may depart the Earth from a fixed declination, e.g., 28.5°, at a designated time and follow a low-energy transfer to a particular lunar arrival using a minimal amount of transfer ΔV. One practical application of this study is to characterize the launch period for a mission that aims to launch from a particular launch site, such as Cape Canaveral, Florida, and arrive at a particular orbit at the Moon on a given date using a three-month low-energy transfer. The targeting method developed here is applied to several example transfers with varying geometries. For the purposes of this article, the transfers are designed to target halo orbits about the Earth-Moon L2 point.
An improved Riemann mapping theorem and complexity in potential theory

We discuss applications of an improvement on the Riemann mapping theorem which replaces the unit disc by another “double quadrature domain,” i.e., a domain that is a quadrature domain with respect to both area and boundary arc length measure. Unlike the classic Riemann mapping theorem, the improved theorem allows the original domain to be finitely connected, and if the original domain has nice boundary, the biholomorphic map can be taken to be close to the identity, and consequently, the double quadrature domain is close to the original domain. We explore some of the parallels between this new theorem and the classic theorem, and some of the similarities between the unit disc and the double quadrature domains that arise here. The new results shed light on the complexity of many of the objects of potential theory in multiply connected domains.
Interpreting the atmospheric neutrino anomaly

Abstract We suggest that the atmospheric neutrino anomaly observed in the Super-Kamiokande (and other) experiments results from the combined effects of muon-neutrino to tau-neutrino oscillations with a Δm2 value of approximately 0.4 eV2 and oscillations between muon neutrinos and electron neutrinos (and vice-versa) with 0.0001 2 eV 2 . With an appropriate choice of a three-neutrino mixing matrix, such a hypothesis is consistent with essentially all neutrino observations.
Aerospace applications of optimization under uncertainty

The Multidisciplinary Optimization (MDO) Branch at NASA Langley Research Center develops new methods and investigates opportunities for applying optimization to aerospace vehicle design. This paper describes MDO Branch experiences with three applications of optimization under uncertainty: (1) improved impact dynamics for airframes, (2) transonic airfoil optimization for low drag, and (3) coupled aerodynamic and structures optimization of a 3-D wing. For each case, a brief overview of the problem and references to previous publications are provided. The three cases are aerospace examples of the challenges and opportunities presented by optimization under uncertainty. The present paper will illustrate a variety of needs for this technology, summarize promising methods, and uncover fruitful areas for new research.
Loss Recoveries, Realized Excess Returns, and Credit Rationing in the Commercial Mortgage Market

In this paper we exploit loan level data combining foreclosure histories with information about the revenues and expenses associated with the ongoing management and eventual sale of financially distressed loans to estimate the magnitude of realized excess returns on commercial mortgages. Our findings are striking. We find that average realized excess returns on commercial mortgages are the lowest at the best times a la Stiglitz and Weiss (Am. Econ. Rev., 71:393–409, 1981). We also find that excess realized returns on commercial mortgages are low when lenders are swamped with funds (which we measure by the volume of commercial mortgage commitments) and when promised spreads are low.
Adaptive resource allocation for service-based systems

Due to its major advantages, service-oriented architecture (SOA) has been adopted in various distributed systems, such as web services, grid computing systems, utility computing systems and cloud computing systems. These systems are referred as service-based systems (SBS). In order to effectively use these systems in various applications, one major challenge which must be addressed is to manage the quality of services (QoS) to satisfy users' requirements. In SBS, multiple services are often hosted by the same server and compete for the limited system resources of the server, such as CPU-time, memory and network bandwidth. In addition, service compositions, resource status of servers, workflow priorities and QoS requirements are usually dynamically changing in runtime. Hence, it is necessary to have effective techniques to allocate the system resources to each service provided by a server in order to satisfy the QoS requirements of multiple workflows in SBS. In this paper, a resource allocation approach is presented to adaptively allocating the system resources of servers to their services in runtime in order to satisfy one of the most important QoS requirements, the throughput, of multiple workflows in SBS.
Economies of Size in Production Agriculture

Economies of size refer to the ability of a farm to lower costs of production by increasing production. Agriculture production displays an L-shaped average cost curve where costs are lower initially but reach a point where no further gains are achieved. Spreading fixed costs, bulk purchases, and marketing power are cited as reasons for economies of size. Labor-reducing technologies may be the primary reason. Most studies do not include the external costs from prophylactic antibiotic use, impact on rural communities, and environmental damage associated with large-scale production. These can contribute to the economies of size.
Endocrine mechanisms in marine invertebrates

Abstract The objective of this minireview is to summarize the recent advances made in the area of marine invertebrate endocrinology, with special emphasis on the literature published in 1972 and 1973. Most of the pertinent publications in these two years have dealt with crustaceans. Nevertheless, significant contributions have also been made with representatives of other groups of marine invertebrates.
X-Ray Properties of B2 1028+313: A Quasar at the Center of the Abell Cluster A1030

X-ray observations with the ROSAT HRI and with ASCA are presented for the nearby radio quasar B2 1028+313, which is located in the cD galaxy at the center of the Abell cluster A1030. We also analyze archival ROSAT PSPC observations. We find that the X-ray emission is dominated by the quasar. The flux varied by a factor of about 2 between the ROSAT HRI and ASCA observations, which were about 1 yr apart. The X-ray spectrum of the quasar is fitted by a single power law, except at low energies where there is a soft excess. Although the shape of the soft excess is not strongly constrained, it can be fitted by a blackbody with a temperature of about 30 eV. There was evidence for extended X-ray emission, which contributed about 25% of the total flux. However, this emission does not appear to be normal X-ray emission from intracluster gas or a central cooling flow. The extended X-ray emission appears to be quite soft; if its spectrum is modeled as thermal emission, the temperature is ~0.2 keV, rather than the 5-10 keV expected for intracluster medium (ICM) emission. The radial surface distribution of the emission was not fitted by either the beta model that usually describes ICM emission or by a cooling-flow model. The ASCA and ROSAT spectra showed no convincing evidence for a thermal component with a cluster-like temperature, either in the overall spectral shape or in emission lines. In addition, the ROSAT PSPC image showed that the extended X-ray emission was highly elongated to the north-northwest and the south-southeast, in the same direction as the extended radio emission from the quasar. We suggest that the extended emission is inverse Compton emission from the extended radio lobes.