cssi/SciSciGPT-SciSciNet huggingface dataset:
Dynamic Psychological Game Theory for Secure Internet of Battlefield Things (IoBT) Systems

In this paper, a novel anti-jamming mechanism is proposed to analyze and enhance the security of adversarial Internet of Battlefield Things (IoBT) systems. In particular, the problem is formulated as a dynamic psychological game between a soldier and an attacker. In this game, the soldier seeks to accomplish a time-critical mission by traversing a battlefield within a certain amount of time, while maintaining its connectivity with an IoBT network. The attacker, on the other hand, seeks to find the optimal opportunity to compromise the IoBT network and maximize the delay of the soldier’s IoBT transmission link. The soldier and the attacker’s psychological behavior are captured using tools from psychological game theory, with which the soldier’s and attacker’s intentions to harm one another are considered in their utilities. To solve this game, a novel learning algorithm based on Bayesian updating is proposed to find an $ {\epsilon }$ -like psychological self-confirming equilibrium of the game.
Perpendicular magnetic anisotropy in bulk and thin-film CuMnAs for antiferromagnetic memory applications

CuMnAs with perpendicular magnetic anisotropy is proposed as an active material for antiferromagnetic memory. Information can be stored in the antiferromagnetic domain state, while writing and readout can rely on the existence of surface magnetization. It is predicted, based on first-principles calculations, that easy-axis anisotropy can be achieved in bulk CuMnAs by substituting a few percent of As atoms by Ge, Si, Al, or B. This effect is attributed to the changing occupation of certain electronic bands near the Fermi level induced by hole doping. The calculated temperature dependence of the magnetic anisotropy does not exhibit any anomalies. Thin CuMnAs(001) films are also predicted to have perpendicular magnetic anisotropy.
Three-dimensional coaxial multi-nozzle device for high-rate microsphere generation

To address the need for production of a large number of microspheres for use in various fields such as tissue engineering, we developed a 3D coaxial multi-nozzle flow focusing device fabricated via a simple 3D printing method that demonstrates a high rate of microsphere production per nozzle. This device has six coaxial microscale nozzles that produce hydrogel microspheres. Two individual parts—the inlet and nozzle—can be made separately by a 3D printer and bonded together using uncured photo-curable resin as glue. The dimensions of the microspheres are between 100 and 1200 μm. They are produced by adjusting the flow rate ratio between the dispersed and continuous media. A flow rate ratio of 180 demonstrated the highest microsphere production rate of 2.12e+5 microspheres per second (0.25 mL min−1). This microsphere production rate per nozzle is four times higher than that of currently available devices.
Light pollution, sleep deprivation, and infant health at birth

This is the first study that uses a direct measure of skyglow, an important aspect of light pollution, to examine its impact on infant health at birth. We find evidence of reduced birth weight, shortened gestational length and even preterm births. Specifically, increased nighttime brightness, characterized by being able to see only one-third to one-fourth of the stars that are visible in the absence of artificial light, is associated with an increase in the likelihood of a preterm birth by as much as 12.8 percent, or an increase of approximately 45,000 preterm births nationwide annually. Our findings add to the literature on the impact of in utero and early-life exposure to pollution, which thus far has focused primarily on air pollution. The unique feature of our identification strategy to determine a causal effect is the application of Walker's Law in physics, which provides a scientific basis to estimate skyglow. We use estimated skyglow as an instrumental variable to address the endogeneity problem associated with the skyglow variable. In addition, our study shows that increased skyglow is associated with less sleep, indicating a likely biological mechanism that links sleep deprivation to light-pollution induced circadian disruption. This result, combined with the literature on the adverse effects of sleep disorders, completes the causal chain underlying our finding on the adverse health impact of skyglow. Our study has important policy implications for current installation of LED streetlights in many U.S. municipalities, highlighting the necessity of minimizing skyglow contributed by streetlights.
Overconfident Distribution Channels

We study the effects associated with overconfidence in distribution channels, where overconfidence is defined as a decision maker’s cognitive bias in perceiving the expected outcome of an uncertain event as more certain than it likely is. Although overconfidence bias always leads to a lower expected profit for a centralized channel, we find that overconfidence can in fact enhance the performance of a decentralized channel comprising one overconfident manufacturer and retailer. That is, overconfidence can reduce the double marginalization effect so that, compared to a decentralized channel managed by unbiased firms, the profit of an overconfident decentralized channel can be higher. In a similar vein, overconfidence bias can benefit, rather than hurt, either or both channel members. Our results shed some light on the design and adoption of strategies aimed at enhancing decisions and curtailing overconfidence bias of supply chain executives.
Saturated Fat Ingestion Promotes Lipopolysaccharide-Mediated Inflammation and Insulin Resistance in Polycystic Ovary Syndrome

Context Inflammation and insulin resistance (IR) are often present in polycystic ovary syndrome (PCOS).
Hybrid Intrusion Detection System for Worm Attacks Based on Their Network Behavior

Computer worms are characterized by rapid propagation and intrusive network disruption. In this work, we analyze the network behavior of five Internet worms: Sasser, Slammer, Eternal Rocks, WannaCry, and Petya. Through this analysis, we use a deep neural network to successfully classify network traces of these worms along with normal traffic. Our hybrid approach includes a visualization that allows for further analysis and tracing of the network behavior of detected worms.
Thrust, drag and wake structure in flapping compliant membrane wings

We present a theoretical framework to characterize the steady and unsteady aeroelastic behaviour of compliant membrane wings under different conditions. We develop an analytic model based on thin airfoil theory coupled with a membrane equation. Adopting a numerical solution to the model equations, we study the effects of wing compliance, inertia and flapping kinematics on aerodynamic performance. The effects of added mass and fluid damping on a flapping membrane are quantified using a simple damped oscillator model. As the flapping frequency is increased, membranes go through a transition from thrust to drag around the resonant frequency, and this transition is earlier for more compliant membranes. The wake also undergoes a transition from a reverse von Karman wake to a traditional von Karman wake. The wake transition frequency is predicted to be higher than the thrust–drag transition frequency for highly compliant wings.
Radiation Interaction with Molecules

Various aspects of the interaction of electromagnetic radiation with matter are explored. The fundamental interaction involves the response of matter to electric and magnetic fields generated by the radiation. Any collection of charged particles will respond through its polarization P, which may be expanded in increasing powers of electric field E as P = χ(1)E + χ(2)E2 + χ(3)E3. The term χ(1) is called the linear susceptibility (or more commonly the polarizability α), and is the term responsible for the linear refractive index as well as for linear absorption. The first order susceptibility is shown to be responsible for normal one-photon spectroscopy, and we examine microwave, infrared, and optical spectroscopy as tools to obtain information as to the rotational, vibrational, and molecular orbital nature of molecules. Rydberg states, vibronic interactions, and magnetic resonance spectroscopy are also considered. χ(2) is the second-order polarizability, sometimes called the hyperpolarizability β. This is responsible for hyper-Rayleigh scattering and second-harmonic generation, as well as the hyper-Raman effect. These are often termed two-photon effects owing to the quadratic dependence on the electric field. Three-photon effects are obtained from the third-order polarizability χ(3) or γ. Stimulated Raman spectroscopy and four-wave mixing are some of the most important consequences of this term. These involve coherent anti-Stokes Raman scattering (CARS) as well as Raman-induced Kerr-effect spectroscopy (RIKES). Keywords: molecular spectroscopy; microwave spectroscopy; infrared spectroscopy; optical spectroscopy; Raman spectroscopy; Rydberg states; multiphoton spectroscopy; second-harmonic generation; coherent anti-Stokes Raman scattering (CARS)
Shift work, DNA methylation and epigenetic age.

BACKGROUND Shift work has been associated with increased risk of age-related morbidity and mortality. Biological age, estimated using DNA methylation (DNAm), may quantify the biological consequences of shift work on the risk of age-related disease. We examined whether prior employment in shift-working occupations was associated with epigenetic age acceleration. METHODS In a sample of non-Hispanic White women aged 35-74 (n = 2574), we measured DNAm using the Illumina Infinium Human450 BeadChip and calculated DNAm age using three established epigenetic clocks. Age-acceleration metrics were derived by regressing DNAm age on chronological age and predicting the residuals. Using linear regression, we estimated associations between shift work history and age acceleration. We also conducted an epigenome-wide association study using robust linear-regression models corrected with false discovery rate (FDR) q-values. RESULTS Approximately 7% of women reported any shift work. Higher age acceleration was observed for a 1-year increase in overall [β = 0.11, 95% confidence interval (CI): 0.02-0.21] and night-specific shift work (β = 0.12, 95% CI: 0.03-0.21). The association was strongest for ≥10 years of night shift work (β = 3.16, 95% CI: 1.17-5.15). From the epigenome-wide association study, years of overall and night shift work were associated with DNAm at 66 and 85 CpG sites (FDR < 0.05), respectively. Years of night shift work was associated with lower methylation of a CpG in the gene body of ZFHX3 (cg04994202, q = 0.04), a gene related to circadian rhythm. CONCLUSIONS Shift work was associated with differential CpG site methylation and with differential DNAm patterns, measured by epigenetic age acceleration, consistent with long-term negative health effects.
Elucidating observed land surface feedbacks across sub-Saharan Africa

This study examines the role of terrestrial forcings on the regional climate of sub-Saharan Africa through the application of a multivariate statistical method, stepwise generalized equilibrium feedback assessment, to an array of observational, reanalysis, and remote sensing data products. By applying multiple datasets, data uncertainty and the robustness of assessed land surface feedbacks are considered. The approach from our 2017 study is expanded to decompose the relative contribution of vegetation, soil moisture, and oceanic forcings; investigate the role of evapotranspiration (ET) partitioning in terrestrial feedbacks; and compare land surface feedbacks among four key regions, namely the Sahel, Greater Horn of Africa, West African monsoon region, and Congo. ET partitioning differs notably among sub-Saharan regions and between available observational datasets. Across sub-Saharan Africa as a whole, oceanic and terrestrial forcings impose a relatively comparable impact on year-round atmospheric conditions. The land surface feedbacks are most pronounced across the semi-arid Sahel and Greater Horn of Africa, although with unique seasonality of such feedbacks between regions. Moisture recycling is the dominant mechanism in these regions, with positive soil moisture–vegetation–rainfall feedbacks. The direct feedback of soil moisture anomalies on atmospheric conditions outweighed that of leaf area index anomalies. There is a clear need for more extensive observations of ET, its partitioning, and soil moisture across sub-Saharan Africa, as these data uncertainties propagate into the reliability of assessed soil moisture–ET feedbacks, particularly across the Sahel.
Bridging Levels of Public Administration: How Macro Shapes Meso and Micro:

Scholars in public administration now recognize three levels of analysis: macro, meso, and micro. But there is uncertainty about the relationship between levels and concern about a “schism” in rese...
Tensors and rotations in NMR

The transformation of second-rank Cartesian tensors under rotation plays a fundamental role in the theoretical description of nuclear magnetic resonance experiments, providing the framework for describing anisotropic phenomena such as single crystal rotation patterns, tensor powder patterns, sideband intensities under magic-angle sample spinning, and as input for relaxation theory. Here, two equivalent procedures for effecting this transformation—direct rotation in Cartesian space and the decomposition of the Cartesian tensor into irreducible spherical tensors that rotate in subgroups of rank 0, 1, and 2—are reviewed. In a departure from the standard formulation, the explicit use of the spherical tensor basis for the decomposition of a spatial Cartesian tensor is introduced, helping to delineate the rotational properties of the basis states from those of the matrix elements. The result is a uniform approach to the rotation of a physical system and the corresponding transformation of the spatial components of the NMR Hamiltonian, expressed as either Cartesian or spherical tensors. This clears up an apparent inconsistency in the NMR literature, where the rotation of a spatial tensor in spherical tensor form has typically been partnered with the inverse rotation in Cartesian form to produce equivalent transformations. © 2011 Wiley Periodicals, Inc. Concepts Magn Reson Part A 38: 221–235, 2011.
The chemistry of vicinal tricarbonyls. Use of vinyl and acetylenic derivatives in the synthesis of substituted indoles

Abstract Vinyl and acetylenic vicinal tricarbonyl derivatives take part as dienophiles in Diels-Alder reactions leading to substituted indoles as well as to their dihydro and tetrahydro derivatives.
Feeding the World with Data: Visions of Data-Driven Farming

Recent years have seen increased investment in data-driven farming through the use of sensors (hardware), algorithms (software), and networking technologies to guide decision making. By analyzing the discourse of 34 startup company websites, we identify four future visions promoted by data-driven farming startups: the vigilant farmer who controls all aspects of her farm through data; the efficient farmer who has optimized his farm operations to be profitable and sustainable; the enlightened farmer who achieves harmony with nature via data-driven insights; and the empowered farmer who asserts ownership of her farm's data, and uses it to benefit herself and her fellow farmers. We describe each of these visions and how startups propose to achieve them. We then consider some consequences of these visions; in particular, how they might affect power relations between the farmer and other stakeholders in agriculture--farm workers, nonhumans, and the technology providers themselves.
Methods for the Synthesis of Cannabinergic Ligands

During the last decade, numerous cannabinergic ligands with high affinity and selectivity profiles for cannabinoid receptors (CB1 and CB2) emerged from rigorously pursued structure-activity relationship studies. This chapter focuses on the synthetic aspects of key cannabinoid receptor probes representing the different classes of cannabinergic ligands that encompasses classical cannabinoids (CCs) including some covalent binding derivatives, nonclassical cannabinoids (NCCs), hybrid cannabinoids, aminoalkylindoles (AAIs), diarylpyrazoles, and the endocannabinoids.
Synthesis and Structure of K3Mg20In14, a Stuffed Variant of the BaHg11 Structure Type with a Magnesium−Indium Network

The phase K3Mg20In14 was synthesized via high-temperature reactions of the elements in welded Ta tubes. The cubic crystal structure established by single-crystal X-ray diffraction means [space group Pm3m, Z = 1, a = 9.769(1) angstroms] features a 3D Mg-In network formed by K@Mg12In10 units plus cuboctahedral fillers, In@Mg12. This is the first example of a well-ordered stuffed BaHg11 structure (Pearson symbol cP37). On the basis of tight-binding linear muffin-tin orbital, atomic sphere approximation calculations, the electronic structure of the compound shows dominant Mg-In interactions and substantial participation of Mg in the overall network bonding. Both In-In and Mg-In bondings are effectively optimized at the Fermi level. The Fermi energy cuts through substantial densities of states, consistent with the measured metallic property.
Three-Component Condensation Leading to β-Amino Acid Diamides: Convergent Assembly of β-Peptide Analogues

A Passerini condensation of acyl cyanides, carboxylic acids, and isonitriles has been developed that affords efficient access to functionalized diamides as well as β-peptides of α-hydroxy-β-amino acids. Such compounds are protease-resistant and form stable helical and sheet structures when incorporated into larger peptides. N-Protected α-amino acids and isocyanoesters derived from α-amino acids participate in the condensation, leading to α/β peptides embodying the heterogeneous α/β/α backbone motif, recent examples of which display antibiotic activity.
The Effects of Pornography on Unethical Behavior in Business

Pornography is no longer an activity confined to a small group of individuals or the privacy of one’s home. Rather, it has permeated modern culture, including the work environment. Given the pervasive nature of pornography, we study how viewing pornography affects unethical behavior at work. Using survey data from a sample that approximates a nationally representative sample in terms of demographics, we find a positive correlation between viewing pornography and intended unethical behavior. We then conduct an experiment to provide causal evidence. The experiment confirms the survey—consuming pornography causes individuals to be less ethical. We find that this relationship is mediated by increased moral disengagement from dehumanization of others due to viewing pornography. Combined, our results suggest that choosing to consume pornography causes individuals to behave less ethically. Because unethical employee behavior has been linked to numerous negative organization outcomes including fraud, collusion, and other self-serving behaviors, our results have implications for most societal organizations.
Temporary phosphate tethers: a metathesis strategy to differentiated polyol subunits.

Studies probing reactivity and selectivity of cross metathesis (CM) with an exocyclic olefin in a P-chiral bicyclo[4.3.1]phosphate triester are described. Studies have revealed a Type III CM reactivity pattern for the exocyclic olefin within this phosphate triester. This versatile method allows for simple, selective manipulation of a P-chiral building block en route to advanced polyol subunits.
A Study of Norrish Type II Reactions of Aryl Alkyl Ketones Included within Zeolites

The photochemical and photophysical behavior or a large number or phenyl alkanones included in zeolites has been investigated. The interior size and shape or the zeolites control the behavior or the triplet ketone as well as that or the 1,4-diradical generated by Norrish type II γ-hydrogen abstraction. A relationship between the size and shape or the reaction cavity and the extent or the restrictions on the triplet ketone and the diradical intermediate has been observed. A model based on the "reaction cavity" concept has been valuable in understanding the unique influence or the zeolite on the reaction course or the type II process.
Reaction of 4‐hydroxy‐5‐oximino‐3‐thiophenecarboxylates with hydrazines. Formation of pyrazolylthiohydroxamic acids

The reactions of 4-hydroxy-5-oximino-3-thiophenecarboxylates with hydrazine and substituted hydrazines have been investigated. The products of the reactions have been shown to be pyrazole-3- or 5-thiohydroxamic acids rather than the hydrazones previously described by Benary and Silberstrom. Two alternate mechanisms are proposed which account for the regiochemical outcome. The structures of the pyrazole-3- and 5-thiohydroxamic acids and corresponding nitriles have been proven by independent synthesis, comparison to known compounds, and by proton and carbon magnetic resonance and long range HETCOR experiments.
Convenient preparation of N-substituted indoles by modified Leimgruber-Batcho indole synthesis

Abstract A modified reductive alkylation of pre-indole 3, prepared from readily available Leimgruber-Batcho indole synthesis derived intermediates, followed by acidic methanolysis generates 6-carbomethoxy-N-substituted indoles. The three step preparation of pre-indole 3 from substituted 2-nitrotoluene 1 in 66% yield and conversion to a variety of N-substituted indoles is presented.
The enantiospecific total synthesis of norsuaveoline

Abstract Norsuaveoline 1a has been synthesized enantiospecifically in 28% overall yield from commercially available D-(+)-tryptophan methyl ester via the asymmetric Pictet-Spengler reaction and a stereocontrolled oxy-anion Cope rearrangement as key steps.
Asymmetric Total Synthesis of Phosphatidylinositol 3-Phosphate and 4-Phosphate Derivatives

New asymmetric syntheses of phosphatidylinositol 3-phosphate (PtdIns(3)P) and phosphatidylinositol 4-phosphate (PtdIns(4)P) derivatives are described. Key intermediates were used to prepare diacylglyceryl moieties with dibutyryl, dioctanoyl, and dihexadecanoyl chains. In addition, a modified route provided PtdIns(3)P and PtdIns(4)P triesters with P-1-linked aminopropyl groups for preparation of affinity probes. The synthesis of the inosityl precursor employed a dibutyltin oxide-mediated p-methoxybenzyl (PMB) etherification to give either the 2-PMB- or the 3-PMB-protected glucopyranosides. The Ferrier rearrangement was used to convert suitably protected glucose derivatives to enantiomerically pure, differentially protected d-myo-inositol key intermediates. A versatile phosphoramidite reagent was employed to allow synthesis of PtdInsPn derivatives with diacylglyceryl moieties of different chain lengths.
Response Inhibition in Adolescents is Moderated by Brain Connectivity and Social Network Structure

The social environment an individual is embedded in influences their ability and motivation to engage self-control processes, but little is known about the neural mechanisms underlying this effect. Many individuals successfully regulate their behavior even when they do not show strong activation in canonical self-control brain regions. Thus, individuals may rely on other resources to compensate, including daily experiences navigating and managing complex social relationships that likely bolster self-control processes. Here, we employed a network neuroscience approach to investigate the role of social context and social brain systems in facilitating self-control in adolescents. We measured brain activation using functional magnetic resonance imaging (fMRI) as 62 adolescents completed a Go/No-Go response inhibition task. We found that self-referential brain systems compensate for weaker activation in executive function brain systems, especially for adolescents with more friends and more communities in their social networks. Collectively, our results indicate a critical role for self-referential brain systems during the developmental trajectory of self-control throughout adolescence.
CircMarker: a fast and accurate algorithm for circular RNA detection

While RNA is often created from linear splicing during transcription, recent studies have found that non-canonical splicing sometimes occurs. Non-canonical splicing joins 3’ and 5’ and forms the so-called circular RNA. It is now believed that circular RNA plays important biological roles such as affecting susceptibility of some diseases. During the past several years, multiple experimental methods have been developed to enrich circular RNA while degrade linear RNA. Although several useful software tools for circular RNA detection have been developed as well, these tools are based on reads mapping may miss many circular RNA. Also, existing tools are slow for large data due to their dependence on reads mapping. In this paper, we present a new computational approach, named CircMarker, based on k-mers rather than reads mapping for circular RNA detection. CircMarker takes advantage of transcriptome annotation files to create the k-mer table for circular RNA detection. Empirical results show that CircMarker outperforms existing tools in circular RNA detection on accuracy and efficiency in many simulated and real datasets. We develop a new circular RNA detection method called CircMarker based on k-mer analysis. Our results on both simulation data and real data demonstrate that CircMarker runs much faster and can find more circular RNA with higher consensus-based sensitivity and high accuracy ratio compared with existing tools.
Molecular Recognition at the Phosphatidylinositol 3,4,5-Trisphosphate-Binding Site. Studies Using the Permuted Isomers of Phosphatidylinositol Trisphosphate

Permuted isomers of l-α-phosphatidyl-d-myo-inositol trisphosphate (PtdInsP3), including PtdIns(3,4,5)P3, PtdIns(3,4,6)P3, PtdIns(3,5,6)P3, and PtdIns(4,5,6)P3, have been synthesized as part of our ...
Inter- and intramolecular addition/cyclizations of sulfonamide anions with alkynyliodonium triflates. Synthesis of dihydropyrrole, pyrrole, indole, and tosylenamide heterocycles

The synthesis of dihydropyrroles, pyrroles, and indoles through [3-atom + 2-atom] combination of ethyl or aryl tosylamide anions with phenyl(propynyl)iodonium triflate, and the base-mediated intramolecular bicyclization of alkynyliodonium-bearing tosylamide or tosylimide substrates to furnish bicyclic and tricyclic tosylenamide (-enimide) products, is described. A detailed discussion of the scope, limitations, byproduct formation, and the basis for observed diastereoselectivity is presented.
Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2

Twelve new lanthanide copper heterobimetallic compounds, RE2Cu(TeO3)2(SO4)2 (RE = Y, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu), with two different structural topologies, have been prepared by hydrothermal treatment. Both structure types crystallize in the triclinic space group, P1, but the unit cell parameters and structures are quite different. The earlier RE2Cu(TeO3)2(SO4)2 (RE = Y, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, and Tm) share a common structural motif consisting of edge-sharing LnO8 chains and [Cu(TeO3)2(SO4)2]6– units. The later lanthanide version (Yb and Lu) is composed of edge-sharing LnO7 dimers bridged by similar [Cu(TeO3)2(SO4)2]6– units. The change in the structure type can be attributed to the decreasing ionic radii of the lanthanides. The compounds containing RE3+ ions with diamagnetic ground states (Y3+ and Eu3+) exhibit antiferromagnetic ordering at 12.5 K and 15 K, respectively, owing to the magnetic exchange between Cu2+ moments. No magnetic phase transition was observed in all the...
A new family of five-carbon iminoalditols which are potent glycosidase inhibitors

Abstract The synthesis of 1,5-dideoxy-1,5-imino-D-xylitol 2 (and the enantiomeric iminoalditols 3 and 4) is described. Alditol 2 compares favorably with 1-deoxynojirimycin 1 as a potent inhibitor of β-glucosidase.
Expedient synthesis of gem-dialkylbenzyl heterocycles through olefinic hydroarylation

Abstract A robust approach to gem -dialkylbenzyl heterocycles has been developed through a triflic acid-catalyzed hydroarylation of olefinic heterocycles. A broad range of substrates containing pyridine, quinoline, pyrazole, triazole and imidazole moieties are shown to be highly compatible with this method. This rapid construction of gem -dialkyl groups should be useful in the synthesis of drug-like molecules containing heterocyclic diversity and in the study of the gem -dialkyl effect.
ASYMMETRIC SYNTHESIS OF DIFFERENTIALLY PROTECTED 2,7-DIAMINOSUBERIC ACID, A RING-CLOSURE METATHESIS APPROACH

An efficient and versatile method has been developed for the synthesis of a selectively protected 2,7-diaminosuberic acid derivative. A Grubbs ring-closure olefin metathesis reaction was used as a key step on an allylglycine-derived template.
Tropene derivatives by sequential intermolecular and transannular, intramolecular palladium-catalyzed hydroamination of cycloheptatriene.

A consecutive inter- and intramolecular hydroamination of cycloheptatriene with primary aromatic amines, benzylic amines, and β-phenethylamines occurs to produce pharmaceutically relevant tropene (8-azabicyclo[3.2.1]octene) frameworks in good to excellent yields. This reaction occurs in the presence of a catalyst generated from palladium trifluoroacetate, 9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene and a mild acid. Mechanistic studies reveal that the overall process has some reversible steps, but that the rate of these reverse reactions are far slower than the rates of the forward catalytic process.
Performance expectations for a Tomography System using cosmic ray muons and micro pattern gas detectors for the detection of nuclear contraband

We present results from a detailed GEANT4 simulation of a proposed Muon Tomography System that employs compact Micro Pattern Gas Detectors with high spatial resolution. A basic Point-Of-Closest-Approach algorithm is applied to reconstructed muon tracks for forming 3D tomographic images of interrogated targets. Criteria for discriminating materials by Z and discrimination power achieved by the technique for simple scenarios are discussed for different integration times. The simulation shows that Muon Tomography can clearly distinguish high-Z material from low-Z and medium-Z material. We have studied various systematic effects that affect the performance of the MT and the discrimination power. The implications of the simulation results for the planned development of a prototype MT station are discussed.
Enantioselective construction of the tetrahydropyran and tetrahydrofuran fragments of the antitumor agent mucocin from a common intermediate

Abstract The cis-2,6-disubstituted tetrahydropyran 3 and trans-2,5-disubstituted tetrahydrofuran 4 required for the total synthesis of the potent antitumor agent mucocin 1 were prepared from the α,β-unsaturated ester 2 using a complementary Sharpless asymmetric epoxidation/cyclization protocol.
Enantiospecific synthesis and gas chromatographic resolution of (R)-(-)- and (S)-(+)-1,2-dibromo-3-chloropropane

We report the enantiospecific synthesis of (R)-(-)- and(S)-(+)-DBCP (title compound) starting from the commercially available (R)-(-)- and (S)-(+)-epichlorohydrin as well as an analytical chiral gas chromatographic procedure that was developed to resolve the DBCP enantiomer
A convenient one-step method for the deprotection and esterification of triphenylmethyl ethers

Abstract We have discovered a simple one-pot procedure to convert trityl ethers into esters, using the corresponding acid chloride as the only reagent.
Theoretical Prediction of a New Dinitrogen Reduction Process: Utilization of Four Dihydrogen Molecules and a Zr2Pt2 Cluster

The mechanisms of dinitrogen reduction to hydrazine by four dihydrogen molecules and a Zr2Pt2, I, cluster have been extensively studied at the density functional level. It was shown that the reaction starts from the coordination of the N2 molecule to the Zr centers of I. The resulting complex, Zr2Pt2(μ-1,2-N2), II, activates four dihydrogen molecules and produces the (μ-1-H)2ZrPt(μ-1,2-N2H4)PtZr(μ-1-H)2, X complex. The activation barriers corresponding to the first, second, third, and fourth H2 molecules are predicted to be ΔH = 7.0 (ΔG = 15.6), 10.6 (19.3), 18.3 (27.4), and 25.8 (34.6) kcal/mol, respectively. The calculated dissociation energy of the hydrazine molecule from the product X is 19.2 (6.5) kcal/mol. The entire reaction Zr2Pt2 + N2 + 4H2 → (μ-1-H)2ZrPt2Zr(μ-1-H)2 + N2H4 is found to be exothermic by 52.6 (21.7) kcal/mol and proceed via a 25.8 (34.6) kcal/mol rate-determining barrier corresponding to the activation of the fourth H2 molecule. The dinitrogen reduction to hydrazine by four dihydrog...
The Total Synthesis of Tritiated and Deuterated 5-Oxo-ETE, a Novel Inflammatory Mediator

The total synthesis of 11,12,14,15-tetratritiated and deuterated 5-oxo-ETE is accomplished using a novel bisacetylene precursor 14. The syntheses of these labeled derivatives are necessary in order to investigate further the role and biochemistry of the novel inflammatory mediator and eosinophilic chemotactic agent 5-oxo-ETE.
Neural Overlap in Item Representations Across Episodes Impairs Context Memory

We frequently encounter the same item in different contexts, and when that happens, memories of earlier encounters can get reactivated. We examined how existing memories are changed as a result of such reactivation. We hypothesized that when an item's initial and subsequent neural representations overlap, this allows the initial item to become associated with novel contextual information, interfering with later retrieval of the initial context. Specifically, we predicted a negative relationship between representational similarity across repeated experiences of an item and subsequent source memory for the initial context. We tested this hypothesis in an fMRI study, in which objects were presented multiple times during different tasks. We measured the similarity of the neural patterns in lateral occipital cortex that were elicited by the first and second presentations of objects, and related this neural overlap score to subsequent source memory. Consistent with our hypothesis, greater item-specific pattern similarity was linked to worse source memory for the initial task. In contrast, greater reactivation of the initial context was associated with better source memory. Our findings suggest that the influence of novel experiences on an existing context memory depends on how reliably a shared component (i.e., item) is represented across these episodes.
Evaluating the diagnostic utility of applying a machine learning algorithm to diffusion tensor MRI measures in individuals with major depressive disorder

Using MRI to diagnose mental disorders has been a long-term goal. Despite this, the vast majority of prior neuroimaging work has been descriptive rather than predictive. The current study applies support vector machine (SVM) learning to MRI measures of brain white matter to classify adults with Major Depressive Disorder (MDD) and healthy controls. In a precisely matched group of individuals with MDD (n =25) and healthy controls (n =25), SVM learning accurately (74%) classified patients and controls across a brain map of white matter fractional anisotropy values (FA). The study revealed three main findings: 1) SVM applied to DTI derived FA maps can accurately classify MDD vs. healthy controls; 2) prediction is strongest when only right hemisphere white matter is examined; and 3) removing FA values from a region identified by univariate contrast as significantly different between MDD and healthy controls does not change the SVM accuracy. These results indicate that SVM learning applied to neuroimaging data can classify the presence versus absence of MDD and that predictive information is distributed across brain networks rather than being highly localized. Finally, MDD group differences revealed through typical univariate contrasts do not necessarily reveal patterns that provide accurate predictive information.
X - ray crystal structure and reactions of 2-Cyano-1,3-dibenzoyl-2,3-dihydrobenzimidazole, a novel reissert compound.

Abstract The X-ray crystal structural analysis and energetically favoured conformation calculated by the MM2 method for the new, novel benzimidazole Reissert compound 1 are reported. A highly delocalized and very stable carbanion is interpreted by resonance structures. Interesting reactions of compound 1 are discussed.
Scalable Approximate Bayesian Inference for Particle Tracking Data.

Many important datasets in physics, chemistry, and biology consist of noisy sequences of images of multiple moving overlapping particles. In many cases, the observed particles are indistinguishable, leading to unavoidable uncertainty about nearby particles9 identities. Exact Bayesian inference is intractable in this setting, and previous approximate Bayesian methods scale poorly. Non-Bayesian approaches that output a single "best" estimate of the particle tracks (thus discarding important uncertainty information) are therefore dominant in practice. Here we propose a flexible and scalable amortized approach for Bayesian inference on this task. We introduce a novel neural network method to approximate the (intractable) filter-backward-sample-forward algorithm for Bayesian inference in this setting. By varying the simulated training data for the network, we can perform inference on a wide variety of data types. This approach is therefore highly flexible and improves on the state of the art in terms of accuracy; provides uncertainty estimates about the particle locations and identities; and has a test runtime that scales linearly as a function of the data length and number of particles, thus enabling Bayesian inference in arbitrarily large particle tracking datasets.
Simple Local Polynomial Density Estimators

This article introduces an intuitive and easy-to-implement nonparametric density estimator based on local polynomial techniques. The estimator is fully boundary adaptive and automatic, but does not...
PSelInv—A Distributed Memory Parallel Algorithm for Selected Inversion: The Symmetric Case

We describe an efficient parallel implementation of the selected inversion algorithm for distributed memory computer systems, which we call PSelInv. The PSelInv method computes selected elements of a general sparse matrix A that can be decomposed as A = LU, where L is lower triangular and U is upper triangular. The implementation described in this article focuses on the case of sparse symmetric matrices. It contains an interface that is compatible with the distributed memory parallel sparse direct factorization SuperLU_DIST. However, the underlying data structure and design of PSelInv allows it to be easily combined with other factorization routines, such as PARDISO. We discuss general parallelization strategies such as data and task distribution schemes. In particular, we describe how to exploit the concurrency exposed by the elimination tree associated with the LU factorization of A. We demonstrate the efficiency and accuracy of PSelInv by presenting several numerical experiments. In particular, we show that PSelInv can run efficiently on more than 4,000 cores for a modestly sized matrix. We also demonstrate how PSelInv can be used to accelerate large-scale electronic structure calculations.
Interpolation, Bridgeland stability and monomial schemes in the plane

Abstract Given a zero-dimensional scheme Z, the higher-rank interpolation problem asks for the classification of slopes μ such that there exists a vector bundle E of slope μ satisfying H i ( E ⊗ I Z ) = 0 for all i. In this paper, we solve this problem for all zero-dimensional monomial schemes in P 2 . As a corollary, we obtain detailed information on the stable base loci of Brill–Noether divisors on the Hilbert scheme of points on P 2 . We prove the correspondence between walls in the Bridgeland stability manifold and walls in the Mori chamber decomposition of the effective cone conjectured in [2] for monomial schemes. We determine the Harder–Narasimhan filtration of ideal sheaves of monomial schemes for suitable Bridgeland stability conditions and, as a consequence, obtain a new resolution better suited for cohomology computations than other standard resolutions such as the minimal free resolution.
Measurement Design for Detecting Sparse Signals

Abstract We consider the problem of testing for the presence (or detection) of an unknown sparse signal in additive white noise. Given a fixed measurement budget, much smaller than the dimension of the signal, we consider the general problem of designing compressive measurements to maximize the measurement signal-to-noise ratio (SNR), as increasing SNR improves the detection performance in a large class of detectors. We use a lexicographic optimization approach, where the optimal measurement design for sparsity level k is sought only among the set of measurement matrices that satisfy the optimality conditions for sparsity level k − 1 . We consider optimizing two different SNR criteria, namely a worst-case SNR measure, over all possible realizations of a k -sparse signal, and an average SNR measure with respect to a uniform distribution on the locations of up to k nonzero entries in the signal. We establish connections between these two criteria and certain classes of tight frames. We constrain our measurement matrices to the class of tight frames to avoid coloring the noise covariance matrix. For the worst-case problem, we show that the optimal measurement matrix is a Grassmannian line packing for most–and a uniform tight frame for all–sparse signals. For the average SNR problem, we prove that the optimal measurement matrix is a uniform tight frame with minimum sum-coherence for most–and a tight frame for all–sparse signals.
Network Coherence Time Matters—Aligned Image Sets and the Degrees of Freedom of Interference Networks With Finite Precision CSIT and Perfect CSIR

This paper obtains the first degrees of freedom (DoFs) bound that is provably sensitive to network coherence time, i.e., coherence time in an interference network, where all channels experience the same coherence patterns. This is accomplished by a novel adaptation of the aligned image sets bound and settles various open problems noted previously by Naderi and Avestimehr and by Gou et al. For example, a necessary and sufficient condition is obtained for the optimality of 1/2 DoF per user in a partially connected interference network, where the channel state information at the receivers (CSIRs) is perfect, the channel state information at the transmitters (CSITs) is instantaneous but limited to finite precision, and the network coherence time is $T_{c}=1$ . The surprising insight that emerges is that even with perfect CSIR and instantaneous finite precision CSIT, the network coherence time matters, i.e., it has a DoF impact.
Direct, physically motivated derivation of the contagion condition for spreading processes on generalized random networks

For a broad range of single-seed contagion processes acting on generalized random networks, we derive a unifying analytic expression for the possibility of global spreading events in a straightforward, physically intuitive fashion. Our reasoning lays bare a direct mechanical understanding of an archetypal spreading phenomena that is not evident in circuitous extant mathematical approaches.
SamBaTen: Sampling-based Batch Incremental Tensor Decomposition

Tensor decompositions are invaluable tools in analyzing multimodal datasets. In many real-world scenarios, such datasets are far from being static, to the contrary they tend to grow over time. For instance, in an online social network setting, as we observe new interactions over time, our dataset gets updated in its "time" mode. How can we maintain a valid and accurate tensor decomposition of such a dynamically evolving multimodal dataset, without having to re-compute the entire decomposition after every single update? In this paper we introduce SaMbaTen, a Sampling-based Batch Incremental Tensor Decomposition algorithm, which incrementally maintains the decomposition given new updates to the tensor dataset. SaMbaTen is able to scale to datasets that the state-of-the-art in incremental tensor decomposition is unable to operate on, due to its ability to effectively summarize the existing tensor and the incoming updates, and perform all computations in the reduced summary space. We extensively evaluate SaMbaTen using synthetic and real datasets. Indicatively, SaMbaTen achieves comparable accuracy to state-of-the-art incremental and non-incremental techniques, while being 25-30 times faster. Furthermore, SaMbaTen scales to very large sparse and dense dynamically evolving tensors of dimensions up to 100K x 100K x 100K where state-of-the-art incremental approaches were not able to operate.
Bounds on the rate of linear locally repairable codes over small alphabets

Locally repairable codes (LRC) have recently been a subject of intense research due to the theoretical appeal and their application in distributed storage systems. In an LRC, any coordinate of a codeword can be recovered by accessing only few other coordinates. For LRCs over small alphabet (such as binary), the optimal rate-distance trade-off is unknown. In this paper we provide the tightest known upper bound on the rate of linear LRCs of a given relative distance, an improvement over the best known bound by Cadambe and Mazumdar.
Computing Hypergeometric Solutions of Second Order Linear Differential Equations using Quotients of Formal Solutions and Integral Bases

Abstract We present two algorithms for computing hypergeometric solutions of second order linear differential operators with rational function coefficients. Our first algorithm searches for solutions of the form (1) exp ⁡ ( ∫ r d x ) ⋅ 2 F 1 ( a 1 , a 2 ; b 1 ; f ) where r , f ∈ Q ( x ) ‾ , and a 1 , a 2 , b 1 ∈ Q . It uses modular reduction and Hensel lifting. Our second algorithm tries to find solutions in the form (2) exp ⁡ ( ∫ r d x ) ⋅ ( r 0 ⋅ 2 F 1 ( a 1 , a 2 ; b 1 ; f ) + r 1 ⋅ 2 F 1 ′ ( a 1 , a 2 ; b 1 ; f ) ) where r 0 , r 1 ∈ Q ( x ) ‾ , as follows: It tries to transform the input equation to another equation with solutions of type (1) , and then uses the first algorithm.
Intersection multiplicity of Serre in the unramified case

Abstract We describe here some recent progress pertaining to the Serre Intersection Multiplicity Conjecture. In particular, we show that if A is unramified, then just as in the equicharacteristic case, the intersection multiplicity of two modules is bounded below by the product of their Hilbert–Samuel multiplicities. We also explain, in terms of the blowup of Spec A , the geometric significance of achieving this lower bound.
Fourier Method for Approximating Eigenvalues of Indefinite Stekloff Operator

We introduce an efficient method for computing the Stekloff eigenvalues associated with the indefinite Helmholtz equation. In general, this eigenvalue problem requires solving the Helmholtz equation with Dirichlet and/or Neumann boundary condition repeatedly. We propose solving the discretized problem with Fast Fourier Transform (FFT) based on carefully designed extensions and restrictions operators. The proposed Fourier method, combined with proper eigensolver, results in an efficient and easy approach for computing the Stekloff eigenvalues.
Distinguishing mutant pretzel knots in concordance

We prove that many four-strand pretzel knots of the form K = P(2n,m,−2n ± 1,−m) are not topologically slice, even though their positive mutants P(2n,−2n ± 1,m,−m) are ribbon. We use the sliceness obstruction of Kirk and Livingston [Twisted Alexander invariants, Reidemeister torsion, and Casson–Gordon invariants, Topology 38 (1999) 635–661], related to the twisted Alexander polynomials associated to prime power cyclic covers of knots.
Robinson forcing and the quasidiagonality problem

We introduce weakenings of two of the more prominent open problems in the classification of C*-algebras, namely the quasidiagonality problem and the UCT problem. We show that a positive solution of...