cssi/SciSciGPT-SciSciNet huggingface dataset:
Non-compartment model to compartment model pharmacokinetics transformation meta-analysis – a multivariate nonlinear mixed model

Background: To fulfill the model based drug development, the very first step is usually a model establishment from published literatures. Pharmacokinetics model is the central piece of model based drug development. This paper proposed an important approach to transform published non-compartment model pharmacokinetics (PK) parameters into compartment model PK parameters. This meta-analysis was performed with a multivariate nonlinear mixed model. A conditional first-order linearization approach was developed for statistical estimation and inference. Results: Using MDZ as an example, we showed that this approach successfully transformed 6 non-compartment model PK parameters from 10 publications into 5 compartment model PK parameters. In simulation studies, we showed that this multivariate nonlinear mixed model had little relative bias (<1%) in estimating compartment model PK parameters if all non-compartment PK parameters were reported in every study. If there missing noncompartment PK parameters existed in some published literatures, the relative bias of compartment model PK parameter was still small (<3%). The 95% coverage probabilities of these PK parameter estimates were above 85%. Conclusions: This non-compartment model PK parameter transformation into compartment model meta-analysis approach possesses valid statistical inference. It can be routinely used for model based drug development.
Superiority of Biphasic Over Monophasic Defibrillation Shocks Is Attributable to Less Intracellular Calcium Transient Heterogeneity

Objectives The purpose of this study was to test the hypothesis that superiority of biphasic waveform (BW) over monophasic waveform (MW) defibrillation shocks is attributable to less intracellular calcium (Cai) transient heterogeneity. Background The mechanism by which BW shocks have a higher defibrillation efficacy than MW shocks remains unclear. Methods We simultaneously mapped epicardial membrane potential (Vm) and Cai during 6-ms MW and 3-ms/3-ms BW shocks in 19 Langendorff-perfused rabbit ventricles. After shock, the percentage of depolarized area was plotted over time. The maximum (peak) post-shock values (VmP and CaiP, respectively) were used to measure heterogeneity. Higher VmP and CaiP imply less heterogeneity. Results The defibrillation thresholds for BW and MW shocks were 288 ± 99 V and 399 ± 155 V, respectively (p = 0.0005). Successful BW shocks had higher VmP (88 ± 9%) and CaiP (70 ± 13%) than unsuccessful MW shocks (VmP 76 ± 10%, p Conclusions The greater efficacy of BW shocks is directly related to their less heterogeneous effects on shock-induced SR Ca release and Cai transients. Less heterogeneous Cai transients reduces the probability of Cai sinkhole formation, thereby preventing the post-shock reinitiation of ventricular fibrillation.
Electrical Production From Moderate Temperature Geothermal Brines

Direct contact binary cycles may be used to develop electrical power from moderate temperature geothermal brines. For a simple Rankine cycle using direct contact heat exchangers isobutane is preferred as a working fluid for brines at temperatures greater than 138/sup 0/C. Pentane appears more attractive at lower temperatures. For all moderate temperature applications, however, the use of bottoming cycles, multi-turbine, multi-fluid cycles, yields significantly better performance. 12 references, 11 figures, 3 tables.
Piezoelectric actuator design for vibration suppression - Placement and sizing

The authors consider the problem of simultaneous placement and sizing of distributed piezoelectric actuators to achieve the control objective of damping vibrations in a uniform beam. For several closed-loop performance measures they obtain optimal placement and sizing of the actuators using a simple numerical search algorithm. These measures are applied to a specific example of a simply supported beam with piezoelectric actuators, and their relative effectiveness is discussed. >
Investigation of the roles of catalytic residues in serotonin N-acetyltransferase.

Abstract SerotoninN-acetyltransferase (arylalkylamineN-acetyltransferase (AANAT)) is a critical enzyme in the light-mediated regulation of melatonin production and circadian rhythm. It is a member of the GNAT (GCN-5-related N -acetyltransferase) superfamily of enzymes, which catalyze a diverse array of biologically important acetyl transfer reactions from antibiotic resistance to chromatin remodeling. In this study, we probed the functional properties of two histidines (His-120 and His-122) and a tyrosine (Tyr-168) postulated to be important in the mechanism of AANAT based on prior x-ray structural and biochemical studies. Using a combination of steady-state kinetic measurements of microviscosity effects and pH dependence on the H122Q, H120Q, and H120Q/H122Q AANAT mutants, we show that His-122 (with an apparent pK a of 7.3) contributes ∼6-fold to the acetyltransferase chemical step as either a remote catalytic base or hydrogen bond donor. Furthermore, His-120 and His-122 appear to contribute redundantly to this function. By analysis of the Y168F AANAT mutant, it was demonstrated that Tyr-168 contributes ∼150-fold to the acetyltransferase chemical step and is responsible for the basic limb of the pH-rate profile with an apparent (subnormal) pK a of 8.5. Paradoxically, Y168F AANAT showed 10-fold enhanced apparent affinity for acetyl-CoA despite the loss of a hydrogen bond between the Tyr phenol and the CoA sulfur atom. The X-ray crystal structure of Y168F AANAT bound to a bisubstrate analog inhibitor showed no significant structural perturbation of the enzyme compared with the wild-type complex, but revealed the loss of dual inhibitor conformations present in the wild-type complex. Taken together with kinetic measurements, these crystallographic studies allow us to propose the relevant structural conformations related to the distinct alkyltransferase and acetyltransferase reactions catalyzed by AANAT. These findings have significant implications for understanding GNAT catalysis and the design of potent and selective inhibitors.
Making chiral fermion actions (almost) gauge invariant using Laplacian gauge fixing

Abstract Straight foreward lattice descriptions of chiral fermions lead to actions that break gauge invariance. I describe a method to make such actions gauge invariant (up to global gauge transformations) with the aid of gauge fixing. To make this prescription unambiguous, Laplacian guage fixing is used, which is free from Gribov ambiguities.
James Webb Space Telescope Optical Simulation Testbed II: design of a three-lens anastigmat telescope simulator

The JamesWebb Space Telescope (JWST) Optical Simulation Testbed (JOST) is a tabletop experiment designed to reproduce the main aspects of wavefront sensing and control (WFS and C) for JWST. To replicate the key optical physics of JWST’s three-mirror anastigmat (TMA) design at optical wavelengths we have developed a three-lens anastigmat optical system. This design uses custom lenses (plano-convex, plano-concave, and bi-convex) with fourth-order aspheric terms on powered surfaces to deliver the equivalent image quality and sampling of JWST NIRCam at the WFS and C wavelength (633 nm, versus JWST’s 2.12 μm). For active control, in addition to the segmented primary mirror simulator, JOST reproduces the secondary mirror alignment modes with five degrees of freedom. We present the testbed requirements and its optical and optomechanical design. We study the linearity of the main aberration modes (focus, astigmatism, coma) both as a function of field point and level of misalignments of the secondary mirror. We find that the linearity with the transmissive design is similar to what is observed with a traditional TMA design, and will allow us to develop a linear-control alignment strategy based on the multi-field methods planned for JWST.
Stable Singularities in String Theory

We study a topological obstruction of a very stringy nature concerned with deforming the target space of anN=2 non-linear σ-model. This target space has a singularity which may be smoothed away according to the conventional rules of geometry, but when one studies the associated conformal field theory one sees that such a deformation is not possible without a discontinuous change in some of the correlation functions. This obstruction appears to come from torsion in the homology of the target space (which is seen by deforming the theory by an irrelevant operator). We discuss the link between this phenomenon and orbifolds with discrete torsion as studied by Vafa and Witten.
Clar Theory for Radical Benzenoids

Eric Clar's ideas concerning "aromatic sextets" are extended from closed-shell benzenoids to the case of radical benzenoids, particularly those where the unpaired electrons are largely localized on sites of one "type" (starred or unstarred). A quantitative format in terms of a new Clar polynomial is introduced to make quantitative correlations with a selection of numerical data, including delocalization energies, spin densities, and energy gaps between states of different spin multiplicities. The correlations are generally quite good, thereby further validating Clar's ideas and our extension and quantification of them.
Neutrino-photon scattering in a magnetic field

Abstract Previous calculations of photon-neutrino scattering in a constant background magnetic field are extended and corrected.
High quality real-time Image-to-Mesh conversion for finite element simulations

In this paper, we present a parallel Image-to-Mesh Conversion (I2M) algorithm with quality and fidelity guarantees achieved by dynamic point insertions and removals. Starting directly from an image, its implementation is capable of recovering the isosurface and meshing the volume with tetrahedra of good shape. Our tightly-coupled shared-memory parallel speculative execution paradigm employs carefully designed contention managers, load balancing, synchronization and optimizations schemes. These techniques are shown to boost not only the parallel but also the single-threaded efficiency of our code. Specifically, our single-threaded performance is faster than both CGAL and TetGen, the state of the art sequential open source meshing tools we are aware of. The effectiveness of our method is demonstrated on Blacklight, the Pittsburgh Supercomputing Center's cache-coherent NUMA machine. We observe a more than 82% strong scaling efficiency for up to 64 cores, and a more than 82% weak scaling efficiency for up to 144 cores, reaching a rate of more than 14.3 million elements per second. This is the fastest 3D Delaunay mesh generation and refinement algorithm, to the best of our knowledge.
Constructing the Dialogue of Civilizations in World Politics: A Case of Global Islamic Activism

Since the late 1990s, Islamic activists have been active in promoting a series of initiatives and institutions known as the ‘dialogue of civilizations’. This agenda was initiated by the former Iranian President Muhammad Khatami and subsequently promoted by faith-based movements such as the Gulen movement, and organizations such as the Organization of the Islamic Conference/Cooperation. The agenda of the dialogue of civilizations has been a response to the discourses of the end of history, the clash of civilizations, and the rejection of the West by Muslim fundamentalists. This article focuses on the emergence and spread of this agenda among Islamic elites, groups, and institutions. It argues that this agenda has become a significant part of contemporary Muslim thought and practice of world politics. Essentially, the dialogue agenda has facilitated institutional change within Islamic international organizations, spurred various Islamic attempts to accommodate other religions theologically, and instigated g...
The Role of Space in the Exploitation of Resources

In order to understand the role of space in ecological communities where each species produces a certain type of resource and has varying abilities to exploit the resources produced by its own species and by the other species, we carry out a comparative study of an interacting particle system and its mean-field approximation. For a wide range of parameter values, we show both analytically and numerically that the spatial model results in predictions that significantly differ from its nonspatial counterpart, indicating that the use of the mean-field approach to describe the evolution of communities in which individuals only interact locally is invalid. In two-species communities, the disagreements between the models appear either when both species compete by producing resources that are more beneficial for their own species or when both species cooperate by producing resources that are more beneficial for the other species. In particular, while both species coexist if and only if they cooperate in the mean-field approximation, the inclusion of space in the form of local interactions may prevent coexistence even in cooperative communities. Introducing additional species, cooperation is no longer the only mechanism that promotes coexistence. We prove that, in three-species communities, coexistence results either from a global cooperative behavior, or from rock-paper-scissors type interactions, or from a mixture of these dynamics, which excludes in particular all cases in which two species compete. Finally, and more importantly, we show numerically that the inclusion of space has antagonistic effects on coexistence depending on the mechanism involved, preventing coexistence in the presence of cooperation but promoting coexistence in the presence of rock-paper-scissors interactions. Although these results are partly proved analytically for both models, we also provide somewhat more explicit heuristic arguments to explain the reason why the models result in different predictions.
Nutational Stability of an Asymmetric Dual-Spin Spacecraft

This paper employs an energy-sink approach to establish the closed form nutational stability criterion and the time constant of an asymmetric dual-spin spacecraft. The system under consideration consists of an asymmetric platform and a symmetric rotor. Each of these two components contains a damper. In such a system, the rotor damper is driven by harmonic forcing functions of two different frequencies. Recognizing this phenomenon, it is demonstrated through analysis and several specific numerical examples that the energy-sink predictions correlate extremely well with the system time simulation results.
Evidence of Stochastic Diffusion Across a Cross-Field Sheath Due to Kelvin-Helmholtz Vortices

Abstract : We identify mechanisms for particle transport across a cross-field sheath. We present a study of E x B drift motion in a vortex in which the ion drifts are perturbed by their finite gyroradii and electron drifts are perturbed by one or more traveling waves. Large scale vortices, which are the result of nonlinear saturation of the Kelvin-Helmholtz instability resulting from shear in the E x B drift velocity, have been observed in plasma simulations of the cross- field sheath. Small scale turbulence is also present, and ions and electrons are transported across the sheath. A vortex alone does not allow for the observed electron transport because the electron drift orbits simply circulate. On the other hand, the ion motion can be stochastic from resonant interaction between harmonics of the drift motion and the gyromotion, independent of the background turbulence. The fluctuations in the ion density would then give rise to small amplitude wave spectrum. The combined action of the vortex fields and traveling wave fields on the electron motion can then lead to stochastic electron diffusion. We study these effects, showing that the values of vortex fields observed in the simulation are sufficient to lead to both ion and electron stochasticity. Furthermore, the rate of the resulting diffusion is sufficient to account for the diffusion observed in the simulation.
On the performance of kernel estimators for high-dimensional, sparse binary data

Abstract We develop mathematical models for high-dimensional binary distributions, and apply them to the study of smoothing methods for sparse binary data. Specifically, we treat the kernel-type estimator developed by Aitchison and Aitken ( Biometrika 63 (1976), 413-420). Our analysis is of an asymptotic nature. It permits a concise account of the way in which data dimension, data sparseness, and distribution smoothness interact to determine the over-all performance of smoothing methods. Previous work on this problem has been hampered by the requirement that the data dimension be fixed. Our approach allows dimension to increase with sample size, so that the theoretical model may accurately reflect the situations encountered in practice; e.g., approximately 20 dimensions and 40 data points. We compare the performance of kernel estimators with that of the cell frequency estimator, and describe the effectiveness of cross-validation.
Multipole models of four-image gravitational lenses with anomalous flux ratios

It has been known for over a decade that many four-image gravitational lenses exhibit anomalous radio flux ratios. These anomalies can be explained by adding a clumpy cold dark matter (CDM) component to the background galactic potential of the lens. As an alternative, Evans W they must indicate that the models are trying to reproduce some other sort of structure. Our formalism naturally finds models that fit the data exactly, but we use B0712+472 to show that measurement uncertainties have little effect on our results. Finally, we consider the system B1933+503, where two sources are lensed by the same foreground galaxy. The additional constraints provided by the images of the second source render the multipole model unphysical. We conclude that external shear must be taken into account to obtain plausible models, and that a purely smooth angular structure for the lens galaxy does not provide a viable alternative to the prevailing CDM clump hypothesis.
TANDEM ENYNE ALLENE-RADICAL CYCLIZATION VIA BASE-CATALYZED ISOMERIZATION OF ENEDIYNE SULFONES

Abstract Enediyne sulfones 12–16 undergo a base-catalyzed isomerization to the corresponding enyne allenes followed by a tandem enyne allene-radical cyclization at 37 °C to provide 2,3-dihydrobenz[ e ]indenes 17–21 in good yields.
Effects of Native Plant Species, Mycorrhizal Inoculum, and Mulch on Restoration of Reservoir Sediment Following Dam Removal, Elwha River, Olympic Peninsula, Washington

As dams across the country continue to age, successful restoration of dewatered reservoirs remains a critical factor in decisions regarding dam removal. Freshly exposed reservoir sediment may not support rapid reestablishment of native plant species due to poor fertility or absence of arbuscular mycorrhizal fungi propagules. This field study evaluated treatment effects involving combinations of native plants, mycorrhizal inoculum, and mulch on restoration of dewatered reservoir sediment over 20 months. Most plants, even those uninoculated, became mycorrhizal. In all treatments, sediment pH decreased, as did nitrogen and organic matter, compared to original reservoir sediment, while aggregate stability doubled from original anaerobic sediment. Revegetated plots with mulch had significantly greater vegetation cover and more native volunteer species compared to plots without mulch. The planted mulch treatment also decreased plot runoff tenfold, reducing erosion to the same degree. Indicators suggest that the primary benefit of mulch resulted in increased moisture retention making the planted mulch treatment most successful for restoration of reservoir sediment due to extensive native plant growth, improved soil characteristics, and reduced runoff and erosion compared to nonmulched plots. While results from this plot-scale study suggest commercial mycorrhizal inoculum is unnecessary since natural inoculum sources sufficiently colonized plants, reservoir-scale restoration may require creation of additional source areas to encourage rapid reestablishment of native plants and mycorrhizal fungi.
Stereoselective synthesis of substituted pipecolic acids

Abstract The stereoselective synthesis of Δ 4,5 -pipecolic acid derivatives is described. The key step in the sequence is a [3,3] sigmatropic rearrangement.
Effects of flow unsteadiness on hypersonic wind tunnel spectroscopicdiagnostics

An analysis is presented of nonlinear effects of time varying flow properties on interpretation of spectroscopic measurements. Both direct emission as well as electron beam techniques are considered. A method, based on this analysis, is evolved whereby both average and mean square fluctuating temperatures can be obtained using conventional instrumentation. The method is applied to several selected experimental cases cited in the literature, including recent arc-heated hypersonic wind tunnel electron beam measurements. The theory is extended to include species number density fluctuations when temperature fluctuations are also present.
Thermalization of the quark-gluon plasma and dynamical formation of Bose-Einstein Condensate

We report recent progress on understanding the thermalization of the quark-gluon plasma during the early stage in a heavy ion collision. The initially high overpopulation in the pre-equilibrium gluonic matter ("glasma") is shown to play a crucial role. The strongly interacting nature (and thus fast evolution) naturally arises as an emergent property of this pre-equilibrium matter where the intrinsic coupling is weak but the highly occupied gluon states coherently amplify the scattering. A possible transient Bose-Einstein Condensate is argued to form dynamically on a rather general ground. We develop the kinetic approach for describing this highly overpopulated system and find approximate scaling solutions as well as numerically study the onset of condensation. Finally we also discuss possible phenomenological implications.
On the phase diagram of quenched QCD with Wilson fermions

Abstract In this talk, I reported on recent work on the Aoki phase diagram for quenched QCD with two flavors of Wilson fermions. Part of this work was done in collaboration with Yigal Shamir [1], and a shorter account of this part appeared recently [2]. In this write-up, I will therefore limit myself to reporting on work done with Steve Sharpe and Robert Singleton, Jr. [3], which has not been published yet. We discuss the symmetries of quenched QCD, paying careful attention to non-perturbative issues. This allows us to derive an effective lagrangian which agrees with standard quenched chiral perturbation theory, but which can also be used to address questions of a non-perturbative nature.
Exact lattice supersymmetry

We provide an introduction to recent lattice formulations of supersymmetric theories which are invariant under one or more real supersymmetries at nonzero lattice spacing. These include the especially interesting case of N = 4 SYM in four dimensions. We discuss approaches based both on twisted supersymmetry and orbifold-deconstruction techniques and show their equivalence in the case of gauge theories. The presence of an exact supersymmetry reduces and in some cases eliminates the need for fine tuning to achieve a continuum limit invariant under the full supersymmetry of the target theory. We discuss open problems.
On the log-concavity of Hilbert series of Veronese subrings and Ehrhart series

For every positive integer n, consider the linear operator U n on polynomials of degree at most d with integer coefficients defined as follows: if we write $${\frac{h(t)}{(1 - t)^{d + 1}}=\sum_{m \geq 0} g(m) \, t^{m}}$$ , for some polynomial g(m) with rational coefficients, then $${\frac{{\rm{U}}_{n}h(t)}{(1- t)^{d+1}} = \sum_{m \geq 0}g(nm) \, t^{m}}$$ . We show that there exists a positive integer n d , depending only on d, such that if h(t) is a polynomial of degree at most d with nonnegative integer coefficients and h(0) = 1, then for n ≥ n d , U n h(t) has simple, real, negative roots and positive, strictly log concave and strictly unimodal coefficients. Applications are given to Ehrhart δ-polynomials and unimodular triangulations of dilations of lattice polytopes, as well as Hilbert series of Veronese subrings of Cohen–Macauley graded rings.
On the revision of probabilistic beliefs using uncertain evidence

We revisit the problem of revising probabilistic beliefs using uncertain evidence, and report results on several major issues relating to this problem: how should one specify uncertain evidence? How should one revise a probability distribution? How should one interpret informal evidential statements? Should, and do, iterated belief revisions commute? And what guarantees can be offered on the amount of belief change induced by a particular revision? Our discussion is focused on two main methods for probabilistic revision: Jeffrey's rule of probability kinematics and Pearl's method of virtual evidence, where we analyze and unify these methods from the perspective of the questions posed above.
Organo–silica hybrid functional nanomaterials: how do organic bridging groups and silsesquioxane moieties work hand-in-hand?

Bridged polysilsesquioxanes (BPS) are a class of versatile functional hybrid materials with tunable chemical, physical and mechanical properties. This tutorial review describes recent advances of these functional hybrid nanomaterials. The review includes control of factors affecting nanometre scale morphology, the preparation of spherical hybrid nanoparticles, along with applications in fields including energy, optics and electronics. Special emphasis will be made regarding the synergy between the organic component of the hybrid material and the polysilsesquioxane moieties.
The Price of Pollution: A Dual Approach to Valuing SO2 Allowances

Under the 1990 Clean Air Act Amendments, a market-based scheme to reduce U.S. sulfur dioxide emissions takes effect in 1995. Indications are that participation in the market will be light and allowance prices will be lower than was once expected. Using an output distance function approach, for Wisconsin coal-burning utility plants we estimate the shadow price of SO2abatement, which should approximate the allowance price. The estimated average shadow price is above the prices at which the few observed allowance trades have occurred. Wisconsin's stringent state SO2legislation may explain a portion of this divergence.
TESTING GALACTIC MAGNETIC FIELD MODELS USING NEAR-INFRARED POLARIMETRY

This work combines new observations of NIR starlight linear polarimetry with previously simulated observations in order to constrain dynamo models of the Galactic magnetic field. Polarimetric observations were obtained with the Mimir instrument on the Perkins Telescope in Flagstaff, AZ, along a line of constant Galactic longitude (l = 150°) with 17 pointings of the 10' × 10' field of view between –75° < b < 10°, with more frequent pointings toward the Galactic midplane. A total of 10,962 stars were photometrically measured and 1116 had usable polarizations. The observed distribution of polarization position angles with Galactic latitude and the cumulative distribution function of the measured polarizations are compared to predicted values. While the predictions lack the effects of turbulence and are therefore idealized, this comparison allows significant rejection of A0-type magnetic field models. S0 and disk-even halo-odd magnetic field geometries are also rejected by the observations, but at lower significance. New predictions of spiral-type, axisymmetric magnetic fields, when combined with these new NIR observations, constrain the Galactic magnetic field spiral pitch angle to –6° ± 2°.
Perfect Simulation of Vervaat Perpetuities

We use coupling into and from the past to sample perfectly in a simple and provably fast fashion from the Vervaat family of perpetuities. The family includes the Dickman distribution, which arises both in number theory and in the analysis of the Quickselect algorithm (the motivation for our work).
STEREOSELECTIVE APPROACH TO THE Z-ISOMERS OF METHYLENECYCLOPROPANE ANALOGUES OF NUCLEOSIDES: A NEW SYNTHESIS OF ANTIVIRAL SYNGUANOL

Stereoselective synthesis of antiviral synguanol (1) is described. Reaction of 6-benzyloxy-2-(dimethylaminomethyleneamino)purine (10) with ethyl (cis,trans)-2-chloro-2-(chloromethyl) cyclopropane-1-carboxylate (2c) under the conditions of alkylation-elimination gave (Z)-6- benzyloxy-2-formylamino-9-[(2-carbethoxycyclopropylidene)methyl]purine (11) but no E,N(9)-isomer. Minor amounts of (Z)-6-benzyloxy-2-formylamino-7-[(2-carbethoxy-cyclopropylidene)methyl]purine (13) were also obtained. Hydrolysis of compounds 11 and 13 in 80% acetic acid afforded (Z)-9-[2-(carbethoxycyclopropylidene)methyl]guanine (14) and (Z)-7-[2-(carbethoxy- cyclopropylidene)methyl]guanine (15). Reduction of 14 furnished synguanol (1). Reaction of N(4)-acetylcytosine (7) with ester 2c led to (Z,E)-1-(2-carbethoxycyclopropropylidenemethyl)cytosine (8, Z/E ratio 6.1:1). Basicity of purine base, lower reactivity of alkylation intermediates as well as interaction of the purine N(3) or cytosine O(2) atoms with the carbonyl group of ester moiety seem to be essential for the observed high stereoselectivity of the alkylation-elimination. The Z-selectivity is interpreted in terms of E1cB mechanism leading to a transitory "cyclic" cyclopropenes which undergo a cyclopropene-methylenecyclopropane rearrangement.
Palladium-catalyzed cross-coupling reactions of organosilanols and their salts: practical alternatives to boron- and tin-based methods.

In the panoply of modern synthetic methods for forming carbon−carbon and carbon−heteroatom bonds, the transition metal-catalyzed cross-coupling of organometallic nucleophiles with organic electrophiles enjoys a preeminent status. The preparative utility of these reactions is, in large measure, a consequence of the wide variety of organometallic donors that have been conscripted into service. The most common of these reagents are organic derivatives of tin, boron, and zinc, which each possess unique advantages and shortcomings. Because of their low cost, low toxicity, and high chemical stability, organosilanes have emerged as viable alternatives to the conventional reagents in recent years. However, unlike the tin- and zinc-based reactions, which require no activation, or the boron-based reactions, which require only heating with mild bases, silicon-based cross-coupling reactions often require heating in the presence of a fluoride source; this has significantly hampered the widespread acceptance of organos...
Transonic Flow about a Thick Circular-Arc Airfoil

An experimental and theoretical study of transonic flow over a thick airfoil, prompted by a need for adequately documented experiments that could provide rigorous verification of viscous flow simulation computer codes, is reported. Special attention is given to the shock-induced separation phenomenon in the turbulent regime. Measurements presented include surface pressures, streamline and flow separation patterns, and shadowgraphs. For a limited range of free-stream Mach numbers the airfoil flow field is found to be unsteady. Dynamic pressure measurements and high-speed shadowgraph movies were taken to investigate this phenomenon. Comparisons of experimentally determined and numerically simulated steady flows using a new viscous-turbulent code are also included. The comparisons show the importance of including an accurate turbulence model. When the shock-boundary layer interaction is weak the turbulence model employed appears adequate, but when the interaction is strong, and extensive regions of separation are present, the model is inadequate and needs further development.
New supramolecular architectures based on hydrogen bonding

Doubly and triply hydrogen bonded complexes with every possible arrangement of hydrogen bond donor (D) and acceptor (A) groups (AD·DA, AA·DD, ADA·DAD, AAD·DDA, AAA·DDD) were studied in order to evaluate models that explain the variable stability of multiply hydrogen bonded complexes (e.g., DNA base-pairs).
Quantum Lattice-Gas Models for the Many-Body Schrödinger Equation

A general class of discrete unitary models are described whose behavior in the continuum limit corresponds to a many-body Schrodinger equation. On a quantum computer, these models could be used to simulate quantum many-body systems with an exponential speedup over analogous simulations on classical computers. On a classical computer, these models give an explicitly unitary and local prescription for discretizing the Schrodinger equation. It is shown that models of this type can be constructed for an arbitrary number of particles moving in an arbitrary number of dimensions with an arbitrary interparticle interaction.
Shortest paths in Euclidean graphs

We analyze a simple method for finding shortest paths inEuclidean graphs (where vertices are points in a Euclidean space and edge weights are Euclidean distances between points). For many graph models, the average running time of the algorithm to find the shortest path between a specified pair of vertices in a graph withV vertices andE edges is shown to beO(V) as compared withO(E +V logV) required by the classical algorithm due to Dijkstra.
Line Tunable Ultraviolet Laser

An ultraviolet laser is demonstrated using a dual wavelength Nd:YAG oscillator, sum frequency and second harmonic process. Synchronous pulses at 1.052 and 1.319 micrometers are amplified, mixed and subsequently doubled, producing pulses at 0.293 micrometers.
Ventricular–Vascular Interaction in Heart Failure

Nearly half of all patients who have heart failure have preserved ejection fraction (HFpEF). Patients who have HFpEF tend to be older, female, and hypertensive, and characteristically display increased ventricular and arterial stiffening. In this article, we discuss the pathophysiology of abnormal ventriculoarterial stiffening and how it affects ventricular function, cardiovascular hemodynamics, reserve capacity, and symptoms. We conclude by exploring how novel treatment strategies targeting abnormal ventricular–arterial interaction might prove useful in the treatment of patients who have HFpEF.
Application of stochastic optimization to collision avoidance

This paper applies simulation-based optimization to the problem of vessel traffic management in a high vessel density environment. Specifically, a Monte Carlo simulation has been developed that models a relatively small craft operating in a high vessel density environment under poor visibility conditions. In this simulation, the small vessel maneuvers to keep all other vessels outside some acceptable range (one of the objectives of the optimization) subject to the requirements on the other vessels to obey pre-established traffic management rules. Several stochastic optimization algorithms- blind random search, simultaneous perturbation stochastic approximation, and simulated annealing are applied to this problem 'with conclusions drawn regarding their relative applicability and performance, as well as the practical implications of the results.
Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility

The enantioselective 1,4-diboration of cyclic dienes with a new taddol-derived phosphonite ligand occurs with excellent enantioselectivity. Oxidation delivers the derived 1,4-diol, whereas homologation can be used to deliver a chiral 1,6-diol.
An ideal observer analysis of variability in visual-only speech

Normal-hearing observers typically have some ability to "lipread," or understand visual-only speech without an accompanying auditory signal. However, talkers vary in how easy they are to lipread. Such variability could arise from differences in the visual information available in talkers' speech, human perceptual strategies that are better suited to some talkers than others, or some combination of these factors. A comparison of human and ideal observer performance in a visual-only speech recognition task found that although talkers do vary in how much physical information they produce during speech, human perceptual strategies also play a role in talker variability.
Phase I clinical trial of allogeneic mixed lymphocyte culture (cytoimplant) delivered by endoscopic ultrasound-guided fine-needle injection in patients with advanced pancreatic carcinoma.

Author(s): Chang, KJ; Nguyen, PT; Thompson, JA; Kurosaki, TT; Casey, LR; Leung, EC; Granger, GA | Abstract: BackgroundTo the authors' knowledge, there are no other published clinical studies that have employed either systemic or local biologic response modifiers in the treatment of patients with pancreatic carcinoma. The purpose of this study was to determine the feasibility and safety of allogeneic mixed lymphocyte culture (cytoimplant) delivered by endoscopic ultrasound (EUS)-guided fine-needle injection (FNI) in patients with advanced pancreatic carcinoma.MethodsEight patients with unresectable adenocarcinoma of the pancreas were enrolled: 4 patients in Stage II, 3 in Stage III, and 1 in Stage IV. Cytoimplants were delivered locally into the tumor using a novel EUS-guided FNI technique. Escalating doses of 3, 6, or 9 billion cells were implanted into the pancreatic tumor by a single EUS-guided FNI. Toxicity (modified National Cancer Institute criteria) was assessed at Day 1, Week 1, and Months 1 and 3. Clinical endpoints included Karnofsky performance status (KPS), CA 19-9, tumor response (computed tomography and/or EUS), and survival with follow-up examinations and imaging tests on months 3, 6, 9, 12, and 24.ResultsThere were no bone marrow, hemorrhagic, infectious, renal, cardiac, or pulmonary toxicities. There were 3 transient Grade 3 gastrointestinal toxicities, and 3 patients had transient episodes of hyperbilirubinemia that were reversed by replacement of biliary stents. Seven of 8 patients (86%) experienced low grade fever that responded to acetaminophen, and all fever was resolved within the first 4 weeks. There were no procedure-related complications. There were 2 partial responses and 1 minor response, with a median survival of 13.2 months.ConclusionsA single injection of cytoimplant immunotherapy by EUS-guided FNI appears to be feasible and is not associated with substantial toxicity.
The Enantioselective Organocatalytic 1,4-Addition of Electron-Rich Benzenes to α,β-Unsaturated Aldehydes

The first enantioselective organocatalytic alkylation of electron-rich benzene rings with α,β-unsaturated aldehydes has been accomplished. The use of iminium catalysis has provided a new strategy for the enantioselective construction of benzylic stereogenicity, an important chiral synthon for natural product and medicinal agent synthesis. The (2S,5S)-5-benzyl-2-tert-butylimidazolidinone amine catalyst has been found to mediate the conjugate addition of a wide variety of substituted and unsubstituted anilines to unsaturated aldehydes. A diverse spectrum of aldehyde substrates can also be accommodated in this new organocatalytic transformation. While catalyst quantities of 10 mol % were generally employed in this study, successful alkylations conducted with catalyst loadings as low as 1 mol % are described.
Capturing a Convex Object With Three Discs

This paper addresses the problem of capturing an arbitrary convex object P in the plane with three congruent disc-shaped robots. Given two stationary robots in contact with P, we characterize the set of positions of a third robot, the so-called capture region, that prevent P from escaping to infinity via continuous rigid motion. We show that the computation of the capture region reduces to a visibility problem. We present two algorithms for solving this problem, and for computing the capture region when P is a polygon and the robots are points (zero-radius discs). The first algorithm is exact and has polynomial time complexity. The second one uses simple hidden surface removal techniques from computer graphics to output an arbitrarily accurate approximation of the capture region; it has been implemented, and examples are presented.
Quantum hall effect in wide parabolic GaAs/AlxGa1−xAs wells

The ability to produce narrow two-dimensional (2D) layers of high mobility electron gas in semiconductor structures has permitted the study of the 2D electron gas in strong magnetic fields under nearly ideal conditions, and led to the discovery of the integer and fractional quantum Hall effects [1]. Despite many interesting experiments, comparable progress has not been made for the three dimensional (3D) electron gas in semiconductors, due in part to the strong influence of the potential from dopant atoms. Remotely-doped parabolic GaAs/A1xGa1−xAs wells can be used to produce relatively thick (>1000 A) layers of high mobility electron gas [2, 3] which are spatially uniform due to the action of the parabolic potential. We report here high magnetic field measurements of both the 2D integer and fractional quantum Hall effects for a partially-filled wide parabolic GaAs/AlxGa1−xAs well [2] with very high low temperature mobility µ = 2.5x105 cm2/Vsec. These measurements demonstrate both the feasibility of the parabolic well technique and the high quality of the structures.
Laboratory Experimentation in Economics

Introduction Controlled experiments conducted by economists under laboratory conditions have a relatively short history. Only in the last ten years has laboratory experimentation in economics completed the transition from being a seldom-encountered curiosity to a well-established part of the economic literature. (The Journal of Economic Literature has this year initiated a separate bibliographic category for “Experimental Economic Methods.”) How this came to pass makes for an interesting episode in the history and sociology of science. In this chapter, however, we discuss the different uses to which laboratory experimentation is being put in economics. I think that, loosely speaking, many of the experiments that have been conducted to date fall on an imaginary continuum somewhere between experiments associated with testing and modifying formal economic theories (which I shall call “Speaking to Theorists”), and those associated with having a direct input into the policy-making process (“Whispering into the Ears of Princes”). Somewhere in between lie experiments designed to collect data on interesting phenomena and important institutions, in the hope of detecting unanticipated regularities (“Searching for Facts”). Most experimental investigations contain elements from more than one of these categories. In the following sections I briefly describe examples of each of these activities, and how they interact with and contribute to other parts of economic research. I like to think of economists who do experiments as being involved in three kinds of (overlapping) dialogues, which the examples are designed to illustrate. Material discussed under the heading "Speaking to Theorists" illustrates the kind of dialogue that can exist between experimenters and theorists, whereas the material in "Searching for Facts" illustrates the kind of dialogue that experimenters can engage in with one another. The section entitled "Whispering in the Ears of Princes" deals of course with the kind of dialogue that experimenters can have with policy makers.
Bootstrapping autoregressive processes with possible unit roots

An important question in applied work is how to bootstrap autoregressive processes involving highly persistent time series of unknown order of integration. In this paper, we show that in many cases of interest in applied work the standard bootstrap algorithm for unrestricted autoregressions remains valid for processes with exact unit roots; no pre-tests are required, at least asymptotically, and applied researchers may proceed as in the stationary case. Specifically, we prove the first-order asymptotic validity of bootstrapping any linear combination of the slope parameters in autoregressive models with drift. We also establish the bootstrap validity for the marginal distribution of slope parameters and for most linear combinations of slope parameters in higher-order autoregressions without drift. The latter result is in sharp contrast to the well-known bootstrap invalidity result for the random walk without drift. A simulation study examines the finite-sample accuracy of the bootstrap approximation both for integrated and for near-integrated processes. We find that in many, but not all circumstances, the bootstrap distribution closely approximates the exact finite- sample distribution.
Practical Synthetic Route to Functionalized Rhodamine Dyes

An efficient method for the synthesis of functionalized rhodamine derivatives has been developed. Multigram quantities of these water-soluble fluorophores can be prepared from inexpensive precursors and purified without the use of chromatography. A series of protein-reactive functional groups has been installed through subsequent reactions, providing materials for biomolecule modification. For multicolor applications, a solid-phase purification strategy has been developed to afford rhodamine derivatives possessing a wide range of spectral properties.
Implications of the Cressie-Read Family of Additive Divergences for Information Recovery

To address the unknown nature of probability-sampling models, in this paper we use information theoretic concepts and the Cressie-Read (CR) family of information divergence measures to produce a flexible family of probability distributions, likelihood functions, estimators, and inference procedures. The usual case in statistical modeling is that the noisy indirect data are observed and known and the sampling model-error distribution-probability space, consistent with the data, is unknown. To address the unknown sampling process underlying the data, we consider a convex combination of two or more estimators derived from members of the flexible CR family of divergence measures and optimize that combination to select an estimator that minimizes expected quadratic loss. Sampling experiments are used to illustrate the finite sample properties of the resulting estimator and the nature of the recovered sampling distribution.
Variational Local Structure Estimation for Image Super-Resolution

Super-resolution is an important but difficult problem in image/video processing. If a video sequence or some training set other than the given low-resolution image is available, this kind of extra information can greatly aid in the reconstruction of the high-resolution image. The problem is substantially more difficult with only a single low-resolution image on hand. The image reconstruction methods designed primarily for denoising is insufficient for super-resolution problem in the sense that it tends to oversmooth images with essentially no noise. We propose a new adaptive linear interpolation method based on variational method and inspired by local linear embedding (LLE). The experimental result shows that our method avoids the problem of oversmoothing and preserves image structures well.
Sparse representations of gravitational waves from precessing compact binaries.

Many relevant applications in gravitational wave physics share a significant common problem: the seven-dimensional parameter space of gravitational waveforms from precessing compact binary inspirals and coalescences is large enough to prohibit covering the space of waveforms with sufficient density. We find that by using the reduced basis method together with a parametrization of waveforms based on their phase and precession, we can construct ultracompact yet high-accuracy representations of this large space. As a demonstration, we show that less than 100 judiciously chosen precessing inspiral waveforms are needed for 200 cycles, mass ratios from 1 to 10, and spin magnitudes $\ensuremath{\le}0.9$. In fact, using only the first 10 reduced basis waveforms yields a maximum mismatch of 0.016 over the whole range of considered parameters. We test whether the parameters selected from the inspiral regime result in an accurate reduced basis when including merger and ringdown; we find that this is indeed the case in the context of a nonprecessing effective-one-body model. This evidence suggests that as few as $\ensuremath{\sim}100$ numerical simulations of binary black hole coalescences may accurately represent the seven-dimensional parameter space of precession waveforms for the considered ranges.