cssi/SciSciGPT-SciSciNet huggingface dataset:
Controlling stereochemistry in C-C and C-H bond formation with electronically asymmetric organometallics and chiral poisons

Air stable (cyclopentadienyl)Mo(NO)(halide)(q3-allyl) complexes add to aldehydes to yield homoallylic alcohols in high enantioselectivity and diastereoselectivity. A new strategy, chiral poisoning, is applied to asymmetric hydrogenation and the kinetic resolution of allylic alcohols using transition metal catalysts prepared from racemic bis-phosphine ligands. The activation afforded an organic moiety by complexation led to the extensive development of transition metal reagents for organic synthesis. The increased reactivity is influenced by differences in the steric and electronic nature of the metal and its ligands. Ultimately the environment at the metal can induce high stereoselectivity in reactions involving the coordinated ligands. Our aim has been the improvement of our understanding of the origins of selectivity in these reactions and the application of these principles to the rational design of reagents and catalysts. Our approach modifies the conventional emphasis on steric effects in catalyst design and focuses attention on electronically controlled selectivity. Our initial work emphasized the control which could be obtained with nucleophilic additions to chiral (CpMo(allyl)(NO)(CO))* cations, wherein the difference in electronic influences of the carbonyl and
The Behavioral Risk Factors Surveillance System: Past, Present, and Future

The Behavioral Risk Factor Surveillance System (BRFSS) is a large state-based telephone survey. BRFSS is designed to monitor the leading risk factors for morbidity and mortality in the United States at the local, state, and national levels. The BRFSS has proven to be a powerful tool for building heath-promotion activities. However, the use of telephone-based, random-digit-dial (RDD) methods in public health surveys and surveillance is at a crossroads. Rapid changes in telecommunication, declines in participation rates, increases in the required level of effort and associated costs are becoming key challenges for BRFSS. To maintain the highest data quality and service to the local and state health departments, BRFSS has adopted an ongoing effort to improve coverage and response to the survey. This article provides an overview of the issues faced by BRFSS and the strategies in place to address them.
Micro and Macro-Level Approaches for Assessing the Value of Irrigation Water

Many countries are reforming their economies and setting macroeconomic policies that have direct and indirect impact on the performance of the irrigation sector. One reason for the movement toward reform in the water sector across countries is that water resources are increasingly becoming a limiting factor for many human activities. Another reason for increased pressures to address water policy issues is that many countries are in the process of removing barriers to trade, particularly in agricultural commodities. Therefore, knowledge of the value of water when crafting domestic and macroeconomic policies is important to compare the variable impacts of reform across sectors of the economy and populations within the country. Researchers have used many methods for assessing the value of irrigation water. This survey reviews a broad literature to ascertain how two basic questions have been addressed by research over the past few decades. First, what is the value of water across different sectors and levels? Second, how will this value change under different macroeconomic and domestic policies? This survey details a number of methods for approaching these two questions. The literature has been organized according to a progression from theoretical underpinnings to empirical approaches to how the value of irrigation services are relevant to the link between globalization and poverty.
A learning theory approach to non-interactive database privacy

We demonstrate that, ignoring computational constraints, it is possible to release privacy-preserving databases that are useful for all queries over a discretized domain from any given concept class with polynomial VC-dimension. We show a new lower bound for releasing databases that are useful for halfspace queries over a continuous domain. Despite this, we give a privacy-preserving polynomial time algorithm that releases information useful for all halfspace queries, for a slightly relaxed definition of usefulness. Inspired by learning theory, we introduce a new notion of data privacy, which we call distributional privacy, and show that it is strictly stronger than the prevailing privacy notion, differential privacy.
Design of a multivariable RF control system using gain-shaping in the frequency domain

The authors describe a multivariable control system that compensates the electrical structure of the accelerator by using gain-shaping in the frequency domain. The amplitude and phase quantities have been resolved into in-phase and quadrature (I&Q) variables. These orthogonal variables have simple mathematical relationships, and can be analyzed using linear transform function matrices. The transfer matrix theory has been applied to the design of the multivariable control system that regulates the RF field (I+Q) components. Frequency-domain controllers compensate these two signals to provide desired frequency response characteristics. A control pre-distorter performs an inverse coupling functions, so that the I&Q components are effectively decoupled by the accelerator. Computer interface circuitry allows the adaptive optimization of the mathematical transfer functions of the compensators. >
Land-mobile satellite excess path loss measurements

An experiment conducted with the ATS-6 satellite to determine the additional path loss over free-space loss experienced by land-mobile communication links is described. This excess path loss is measured as a function of 1) local environment, 2) vehicle heading, 3) link frequency, 4) satellite elevation angle, and 5) street side. A statistical description of excess loss developed from the data shows that the first two parameters dominate. Excess path loss on the order of 25 dB is typical in urban situations, but decreases to under 10 dB in suburban/rural areas. Spaced antenna selection diversity is found to provide only a slight decrease (4 dB, typically) in the urban excess path loss observed. Level crossing rates are deprsessed in satellite links relative to those of Rayleigh-faded terrestrial links, but increases in average fade durations tend to offset that advantage. The measurements show that the excess path loss difference between 860- MHz links and 1550-MHz links is generally negligible.
Cosi2: an efficient simulator of exact and approximate coalescent with selection

Motivation: Efficient simulation of population genetic samples under a given demographic model is a prerequisite for many analyses. Coalescent theory provides an efficient framework for such simulations, but simulating longer regions and higher recombination rates remains challenging. Simulators based on a Markovian approximation to the coalescent scale well, but do not support simulation of selection. Gene conversion is not supported by any published coalescent simulators that support selection. Results: We describe cosi2, an efficient simulator that supports both exact and approximate coalescent simulation with positive selection. cosi2 improves on the speed of existing exact simulators, and permits further speedup in approximate mode while retaining support for selection. cosi2 supports a wide range of demographic scenarios, including recombination hot spots, gene conversion, population size changes, population structure and migration. cosi2 implements coalescent machinery efficiently by tracking only a small subset of the Ancestral Recombination Graph, sampling only relevant recombination events, and using augmented skip lists to represent tracked genetic segments. To preserve support for selection in approximate mode, the Markov approximation is implemented not by moving along the chromosome but by performing a standard backwards-in-time coalescent simulation while restricting coalescence to node pairs with overlapping or near-overlapping genetic material. We describe the algorithms used by cosi2 and present comparisons with existing selection simulators. Availability and implementation: A free C++ implementation of cosi2 is available at http://broadinstitute.org/mpg/cosi2. Contact: gro.etutitsnidaorb@ayli Supplementary information: Supplementary data are available at Bioinformatics online.
Turning CO2 Capture On and Off in Response to Electric Grid Demand: A Baseline Analysis of Emissions and Economics

Coal consumption accounted for 36% of America’s CO2 emissions in 2005, yet because coal is a relatively inexpensive, widely available, and politically secure fuel, its use is projected to grow in the coming decades (USEIA, 2007, “World Carbon Dioxide Emissions From the Use of Fossil Fuels,” International Energy Annual 2005, http:// www.eia.doe.gov/emeu/iea/carbon.html). In order for coal to contribute to the U.S. energy mix without detriment to an environmentally acceptable future, implementation of carbon capture and sequestration (CCS) technology is critical. Techno-economic studies establish the large expense of CCS due to substantial energy requirements and capital costs. However, such analyses typically ignore operating dynamics in response to diurnal and seasonal variations in electricity demand and pricing, and they assume that CO2 capture systems operate continuously at high CO2 removal and permanently consume a large portion of gross plant generation capacity. In contrast, this study uses an electric grid-level dynamic framework to consider the possibility of turning CO2 capture systems off during peak electricity demands to regain generation capacity lost to CO2 capture energy requirements. This practice eliminates the need to build additional generation capacity to make up for CO2 capture energy requirements, and it might allow plant operators to benefit from selling more electricity during high price time periods. Postcombustion CO2 absorption and stripping is a leading capture technology that, unlike many other capture methods, is particularly suited for flexible or on/off operation. This study presents a case study on the Electric Reliability Council of Texas (ERCOT) electric grid that estimates CO2 capture utilization, system-level costs, and CO2 emissions associated with different strategies of using on/off CO2 capture on all coal-fired plants in the ERCOT grid in order to satisfy peak electricity demand. It compares base cases of no CO2 capture and “always on” capture with scenarios where capture is turned off during: (1) peak demand hours every day of the year, (2) the entire season of peak system demand, and (3) system peak demand hours only on seasonal peak demand days. By eliminating the need for new capacity to replace output lost to CO2 capture energy requirements, flexible CO2 capture could save billions of dollars in capital costs. Since capture systems remain on for most of the year, flexible capture still achieves substantial CO2 emissions reductions. DOI: 10.1115/1.4001573
Regiospecific Synthesis of 3-Substituted Imidazo[1,2-a]pyridines, Imidazo[1,2-a]pyrimidines, and Imidazo[1,2-c]pyrimidine

3-Substituted imidazo[1,2-a]pyridines, imidazo[1,2-a]pyrimidines, and imidazo[1,2-c]pyrimidine were obtained regiospecifically in yields of 35-92% in one pot by reaction of 2-aminopyridines or 2-(or 4-)aminopyrimidines, respectively, with 1,2-bis(benzotriazolyl)-1,2-(dialkylamino)ethanes.
Efficient two-step synthesis of 9-aryl-6-hydroxy-3H-xanthen-3-one fluorophores.

A two-step method for the synthesis of 9-aryl-6-hydroxy-3H-xanthen-3-one fluorophores involving condensation of aryl aldehydes and fluororesorcinol is shown to proceed through a triarylmethane intermediate. The condensation is complicated by retro-Friedel−Crafts reactions which can be minimized by controlling the amount of acid. The xanthenone ring system is prepared by a final oxidative cyclization with DDQ.
Effect of spacers on the activity of soluble polymer supported catalysts for the asymmetric addition of diethylzinc to aldehydes

Abstract A chiral Zn(II)–salen complex tethered with poly(ethylene glycol) (PEG) was synthesized. This soluble polymer-supported complex was found to catalyze the asymmetric addition of diethylzinc to a series of aromatic aldehydes in good yields and with good enantiomeric ratio (er). The PEG-supported catalyst could be recycled and reused up to three times. The reactivity and selectivity of the catalyst was dependent on the nature of the linker between the polymer and the complex.
Feasibility of retrofitting centralized HVAC systems for room-level zoning

Abstract Heating, ventilation, and cooling (HVAC) accounts for 38% of building energy usage, and over 15% of all US energy usage, making it one of the nation's largest energy consumers. A number of projects have attempted to optimize the control of HVAC systems by minimizing the energy wasted in conditioning occupied buildings or rooms. Researchers have proposed systems that turn off air conditioners or heaters when a house is unoccupied, or put the system into an energy saving deep-setback mode when the occupants are inactive, such as when they are asleep. These approaches enable the retrofitting of centralized HVAC systems, that are widely used within the United States, to be more energy efficient. An area that has not been as well explored is the retrofitting of centralized HVAC systems to save energy when the residents are at home and awake. In this paper, we demonstrate how to use cheap, off-the-shelf sensors and actuators to retrofit a centralized HVAC system and enable the heating, or cooling, of rooms individually, in order to reduce waste caused by conditioning unoccupied rooms. We call this approach room-level zoning. Sensors detect room state and learned activity patterns are used to predict occupancy. Based on this information, unoccupied rooms drift away from a user defined comfortable temperature if occupants are less likely to use them in the near future while occupied rooms remain at a comfortable temperature. Thus, conditioning only the rooms with a high probability of occupancy to the setpoint saves energy by decreasing the load on the HVAC system. We implement a room-level zoning system, called Dual-Zone, in a 1400 square foot house by retrofitting an existing centralized HVAC system with wireless temperature sensors to monitor room-level temperature, motion sensors to monitor occupancy, and wirelessly actuatable dampers to control the flow of conditioned air through the house. Dual-Zone statically zones the house into two zones: one conditioned at night and the other conditioned during the day. Initial analysis indicates that this method has a 20.5% energy savings over the existing single-zoned thermostat during a 20 day evaluation.
High-dimensional change-point estimation: Combining filtering with convex optimization

Abstract We consider change-point estimation in a sequence of high-dimensional signals given noisy observations. Classical approaches to this problem such as the filtered derivative method are useful for sequences of scalar-valued signals, but they have undesirable scaling behavior in the high-dimensional setting. However, many high-dimensional signals encountered in practice frequently possess latent low-dimensional structure. Motivated by this observation, we propose a technique for high-dimensional change-point estimation that combines the filtered derivative approach from previous work with convex optimization methods based on atomic norm regularization, which are useful for exploiting structure in high-dimensional data. Our algorithm is applicable in online settings as it operates on small portions of the sequence of observations at a time, and it is well-suited to the high-dimensional setting both in terms of computational scalability and of statistical efficiency. The main result of this paper shows that our method performs change-point estimation reliably as long as the product of the smallest-sized change (the Euclidean-norm-squared of the difference between signals at a change-point) and the smallest distance between change-points (number of time instances) is larger than a Gaussian width parameter that characterizes the low-dimensional complexity of the underlying signal sequence.
The Semantics of Grammar Formalisms Seen as Computer Languages

The design, implementation, and use of grammar formalisms for natural language have constituted a major branch of computational linguistics throughout its development. By viewing grammar formalisms as just a special case of computer languages, we can take advantage of the machinery of denotational semantics to provide a precise specification of their meaning. Using Dana Scott's domain theory, we elucidate the nature of the feature systems used in augmented phrase-structure grammar formalisms, in particular those of recent versions of generalized phrase structure grammar, lexical functional grammar and PATR-II, and provide a denotational semantics for a simple grammar formalism. We find that the mathematical structures developed for this purpose contain an operation of feature generalization, not available in those grammar formalisms, that can be used to give a partial account of the effect of coordination on syntactic features.
Survivors speak: a qualitative analysis of motivational factors influencing breast cancer survivors' participation in a sprint distance triathlon.

Aims and objectives To examine motivational factors influencing breast cancer survivors to participate in triathlon training, complete a triathlon and maintain an exercise thereafter. Background Routine exercise has been shown to improve quality of life and reduce recurrence for breast cancer survivors. Yet physical and psychological factors present barriers for initiating and maintaining an exercise routine. Research is limited in exploring factors of exercise motivation from the survivor's perspective. Design Qualitative design using focus groups and individual follow-up phone interviews to explore motivation for exercise initiation and maintenance. Methods One to two weeks after completing a triathlon, 11 breast cancer survivors who trained together participated in one of three focus groups to discuss their experience. Five months post triathlon 6 of the 11 participants were successfully contacted and phone interviews were conducted to explore exercise maintenance. Focus groups and interviews were analysed using content and thematic analysis. Results Five themes emerged (1) Champion for Exercise, (2) Part of a Team, (3) Everyone Had a Story, (4) Not Really Exercise and (5) What Do We Do Now? Overall, survivors recognised their need for lifestyle change (e.g. moving from a sedentary lifestyle to a more active one). More importantly, they identified the team approach to exercise initiation was crucial in their success in sustaining a behavioural change. Conclusions Emphasis needed on developing team exercise training programmes for survivors. Nurses can play a critical role in discussing with survivors, the benefits of exercise initiation and maintenance. Relevance to clinical practice Breast cancer survivors are hesitant to initiate routine exercise. Training with women who share a common lived experience increases the likelihood of success. Nurses are in a position to encourage breast cancer survivors to participate in group exercise programmes as a way to improve quality of life.
Not whether, but where? Pell grants and college choices

Abstract Pell grants are the largest financial aid vehicle in the United States, and yet, their role in shaping students' college choices is not clear. Drawing on the enrollment decisions of four cohorts of Tennessee high school graduates and quasi-experimental Pell eligibility derived from federal formulas, we find little evidence that marginal Pell eligibility affects whether or where students enroll in college. Inframarginal estimates suggest that students sort into colleges with 11.6 cents higher tuition per dollar of Pell aid, although other measures of college quality do not significantly improve over the counterfactual. An investigation into mechanisms that might be muting student responses to Pell favors the application process itself over grant size or institutional aid flexibility.
Market competition and abatement technology diffusion under environmental liability law

One challenge in environmental liability law is to apportion the liability appropriately among multiple parties, when these multiple parties generate a single and non-separable damage. This paper provides a method of designing efficient apportionment rule in the presence of product market competition. In particular, I examine the role of apportionment rule in inducing abatement technology diffusion between competing firms. I show that such diffusion can be induced by an efficient apportionment rule. And this apportionment rule allocates a relatively large (more than 1/2) portion of the liability to the firm which originally owns the abatement technology. Furthermore, allocating the liability equally between the firms cannot induce diffusion.
Modular Approaches to Diversified Soft Lewis Basic Complexants through Suzuki–Miyaura Cross-Coupling of Bromoheteroarenes with Organotrifluoroborates

Remediation or transmutation of spent nuclear fuel obtained as a function of energy production and legacy waste remains a significant environmental concern. Substantive efforts over the last three decades have focused on the potential of soft-Lewis basic complexants for the chemoselective separation of trivalent actinides from lanthanides in biphasic solvent systems. Recent efforts in this laboratory have focused on the concept of modularity to rapidly prepare complexants and complexant scaffolds not easily accessible via traditional linear methods in a convergent manner to better understand solubility and complexation structure/activity function in process-relevant solvents. The current work describes an efficient method for the construction of diversified complexants through multi-Suzuki–Miyaura cross-coupling of bromoheteroarenes with organotrifluoroborates affording efficient access to 22 novel materials in 43–99% yield over two, three, or four cross-couplings on the same scaffold. Optimization of the...
On vertical mergers and their competitive effects

It is well known that vertical integration cats change the pricing incentive of an upstream producer. However, it has not been noticed that vertical integration may also change the pricing incentive of downstream producer and the incentive of a competitor in choosing input suppliers. I develop an equilibrium theory of vertical merger that incorporates these additional strategic considerations. Under fairly general conditions, a vertical merger will result in both efficiency gains and a collusive effect. The competitive effects of a vertical merger depend on the cost of switching suppliers and the degree of downstream product differentiation. Copyright 2001 by the RAND Corporation.
On the Segregation of Genetically Modified, Conventional and Organic Products in European Agriculture: A Multi-market Equilibrium Analysis

Evaluating the possible benefits of the introduction of genetically modified (GM) crops must address the issue of consumer resistance as well as the complex regulation that has ensued. In the European Union (EU), this regulation envisions the co-existence of GM food with conventional and quality-enhanced products, mandates the labelling and traceability of GM products and allows only a stringent adventitious presence of GM content in other products. All these elements are brought together within a partial equilibrium model of the EU agricultural food sector. The model comprises conventional, GM and organic food. Demand is modelled in a novel fashion, whereby organic and conventional products are treated as horizontally differentiated but GM products are vertically differentiated (weakly inferior) relative to conventional ones. Supply accounts explicitly for the land constraint at the sector level and for the need for additional resources to produce organic food. Model calibration and simulation allow insights into the qualitative and quantitative effects of the large-scale introduction of GM products in the EU market. We find that the introduction of GM food reduces overall EU welfare, mostly because of the associated need for costly segregation of non-GM products, but the producers of quality-enhanced products actually benefit.
FEMA versus local governments: influence and reliance in disaster preparedness

This study uses an experimental approach to examine whether disaster information sourced to the Federal Emergency Management Agency (FEMA) influences intentions to adopt hazard adjustments. Survey questions are also used to determine whether individuals rely more on FEMA or local governments when preparing for disasters. Using an online sample of 2008 US employees, the results indicate that information sourced to FEMA is no more influential than information sourced to local governments and that individuals rely less on FEMA than on local agencies during disaster preparedness. These results have significant implications for practice and future research on natural hazard preparedness.
The Distribution of Consumption Expenditure in Sub-Saharan Africa: The Inequality Among All Africans

This paper uses a set of national household surveys to study the regional Sub-Saharan Africa distribution of consumption expenditure among individuals during 1993 to 2008. The analysis puts the disparities in living standards that exist among persons in Africa into context with the disparities that exist within and between African countries. Regional interpersonal inequality has increased (from a Gini index of 52 percent in 1993 to 56 percent in 2008), driven by increasing disparities in living standards across countries, while there has been no systematic increase in within-country inequality. For the African distribution as a whole, growth of consumption expenditure (from household surveys) has been low (around 1 percent per year). This growth has been uneven and as a result the richest 5 percent of Africans received around 40 percent of the total gains, while the bottom third stagnated.
One-pot multienzyme (OPME) systems for chemoenzymatic synthesis of carbohydrates

Glycosyltransferase-catalyzed enzymatic and chemoenzymatic syntheses are powerful approaches for the production of oligosaccharides, polysaccharides, glycoconjugates, and their derivatives. Enzymes involved in the biosynthesis of sugar nucleotide donors can be combined with glycosyltransferases in one pot for efficient production of the target glycans from simple monosaccharides and acceptors. The identification of enzymes involved in the salvage pathway of sugar nucleotide generation has greatly facilitated the development of simplified and efficient one-pot multienzyme (OPME) systems for synthesizing major glycan epitopes in mammalian glycomes. The applications of OPME methods are steadily gaining popularity mainly due to the increasing availability of wild-type and engineered enzymes. Substrate promiscuity of these enzymes and their mutants allows OPME synthesis of carbohydrates with naturally occurring post-glycosylational modifications (PGMs) and their non-natural derivatives using modified monosaccharides as precursors. The OPME systems can be applied in sequence for synthesizing complex carbohydrates. The sequence of the sequential OPME processes, the glycosyltransferase used, and the substrate specificities of the glycosyltransferases define the structures of the products. The OPME and sequential OPME strategies can be extended to diverse glycans in other glycomes when suitable enzymes with substrate promiscuity become available. This Perspective summarizes the work of the authors and collaborators on the development of glycosyltransferase-based OPME systems for carbohydrate synthesis. Future directions are also discussed.
Densest Subgraph in Dynamic Graph Streams

In this paper, we consider the problem of approximating the densest subgraph in the dynamic graph stream model. In this model of computation, the input graph is defined by an arbitrary sequence of edge insertions and deletions and the goal is to analyze properties of the resulting graph given memory that is sub-linear in the size of the stream. We present a single-pass algorithm that returns a \((1+\epsilon )\) approximation of the maximum density with high probability; the algorithm uses \(O(\epsilon ^{-2} n {{\mathrm{polylog}}}~n)\) space, processes each stream update in \({{\mathrm{polylog}}}(n)\) time, and uses \({{\mathrm{poly}}}(n)\) post-processing time where n is the number of nodes. The space used by our algorithm matches the lower bound of Bahmani et al. (PVLDB 2012) up to a poly-logarithmic factor for constant \(\epsilon \). The best existing results for this problem were established recently by Bhattacharya et al. (STOC 2015). They presented a \((2+\epsilon )\) approximation algorithm using similar space and another algorithm that both processed each update and maintained a \((4+\epsilon )\) approximation of the current maximum density in \({{\mathrm{polylog}}}(n)\) time per-update.
Color in Business, Science and Industry

For a number of years the Optical Society of America has run parallel sessions one of which is devoted to papers on spectroscopy and the other to papers on color. The ardent spectroscopist has thus been carefully isolated from color problems since instantaneous transitions between the quantum levels of the Keystone and Georgian rooms have a low probability if they are not altogether excluded by some corollary of the Pauli principle. The few spectroscopists who have by some mischance gotten into the wrong session have probably left quickly since the technical language used by the color people is as forboding to applied spectroscopists as the terminology of spectroscopists is to their uninitiated brethern. Color is nevertheless a branch of applied spectroscopy even if it does not deal with the analysis of materials but rather with the appearance of materials.
Imaging of myocardial fatty acid oxidation

Myocardial fuel selection is a key feature of the health and function of the heart, with clear links between myocardial function and fuel selection and important impacts of fuel selection on ischemia tolerance. Radiopharmaceuticals provide uniquely valuable tools for in vivo, non-invasive assessment of these aspects of cardiac function and metabolism. Here we review the landscape of imaging probes developed to provide non-invasive assessment of myocardial fatty acid oxidation (MFAO). Also, we review the state of current knowledge that myocardial fatty acid imaging has helped establish of static and dynamic fuel selection that characterizes cardiac and cardiometabolic disease and the interplay between fuel selection and various aspects of cardiac function. This article is part of a Special Issue entitled: Heart Lipid Metabolism edited by G.D. Lopaschuk.
General and cost-effective synthesis of 1-heteroaryl/arylcycloalkylamines and their broad applications

Abstract A general and cost-effective route has been developed to synthesize 1-heteroarylsubstituted cycloalkylamines from readily available heteroarylacetate in good yields. This synthesis features a LHMDS promoted cyclization and one-pot hydrolysis/Curtius rearrangement. This route can be easily carried out on multi-gram scale and be also used to prepare 1-arylsubstituted cycloalkyl/cycloheteroalkylamines. 1-Heteroaryl/arylsubstituted cycloalkyl/cycloheteroalkylamines are versatile building blocks and their applications in organic and medicinal chemistry have been demonstrated in the synthesis of morpholine and N-methylpiperazine analogues and a known Rho kinase inhibitor compound 9.
Syntheses, Structures, and Magnetic Properties of Np3S5 and Np3Se5

Black prisms of Np3Q5 (Q = S, Se) have been synthesized by the stoichiometric reactions between Np and Q at 1173 K in a CsCl flux. The structures of these compounds were characterized by single-crystal X-ray diffraction methods. The Np3Q5 compounds are isostructural with U3Q5. The structure of Np3Q5 is constructed from layers of Np(1)Q8 distorted bicapped trigonal prisms that share faces with each other on bc planes. Each Np(1)Q8 layer further shares Q(2) edges with two adjacent identical neighbors to form a three-dimensional framework. The space inside each channel within this framework is filled by one single edge-sharing Np(2)Q7 distorted 7-octahedron chain running along the b axis. Magnetic susceptibility measurements show that Np3S5 and Np3Se5 have antiferromagnetic orderings at 35(1) and 36(1) K, respectively. Above the magnetic ordering temperatures, both Np3S5 and Np3Se5 behave as typical Curie−Weiss paramagnets. The effective moments obtained from the fit of the magnetic data to a modified Curie−...
Infrared Study of Some Structural Changes in Natural Rubber during Vulcanization

Abstract A knowledge of the structure of vulcanized rubber is essential to the interpretation of vulcanization and oxidation studies and the physical properties of the material. In the present work an infrared study has been made of structures resulting from a number of different methods of vulcanization. Sulfur vulcanizates show the presence of a shifted double bond, originally observed by Sheppard and Sutherland. The presence of conjugated double bonds is also indicated. Accelerators such as tetramethylthiuram disulfide and zinc dibutyl dithiocarbamate increase the rate of the double-bond shift and reduce the amount of conjugated double bonds. Neither the double-bond shift nor conjugation is observed as a result of vulcanization with tetramethylthiuram disulfide alone, hydrogen sulfide and sulfur dioxide (Peachey process), a peroxide, or gamma rays. These result in a possible decrease in carbonyl structures, and in the case of the last three, possible increased absorption due to OH and ionized carboxyl ...
Voltage-controlled low-energy switching of nanomagnets through Ruderman-Kittel-Kasuya-Yosida interactions for magnetoelectric device applications

In this article, we consider through simulation low-energy switching of nanomagnets via electrostatically gated inter-magnet Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions on the surface of three-dimensional topological insulators, for possible memory and nonvolatile logic applications. We model the possibility and dynamics of RKKY-based switching of one nanomagnet by coupling to one or more nanomagnets of set orientation. Potential applications to both memory and nonvolatile logic are illustrated. Sub-attojoule switching energies, far below conventional spin transfer torque (STT)-based memories and even below CMOS logic appear possible. Switching times on the order of a few nanoseconds, comparable to times for STT switching, are estimated for ferromagnetic nanomagnets, but the approach also appears compatible with the use of antiferromagnets which may allow for faster switching.
The categorization of expatriates and the support offered by host country nationals

Purpose – Although several authors have suggested that host country nationals (HCNs) play an important role in the management of expatriates (e.g. Toh and DeNisi, 2003; Farh et al., 2010), research has also suggested that this relationship is not always good, and the flow of critical information to expatriates can be limited. This is especially true when HCNs categorize the expatriates as “out-group” members. The purpose of this paper is to examine potential determinants of categorization decisions as well as potential outcomes related to expatriate socialization. Design/methodology/approach – The paper employs a dyadic survey approach to determine the antecedents to expatriate categorization and HCN socialization behaviors from the perspective of both the expatriate and HCN. Findings – The results of survey data from 65 expatriate-HCN dyads indicated that expatriate ethnocentrism and the salience of the expatriates’ nationality were important predictors of categorization, but that categorization was rela...
Financial competence, overconfidence, and trusting investments: Results from an experiment

Financial transactions sometimes occur in an environment where third-party enforcement is lacking. Behavioral explanations typically allude to the social preferences, where an individual’s utility is directly affected by another’s outcome, as the driver of the trusting investments and reciprocal returns. We hypothesize that, in part, these decisions are determined by an individual’s financial literacy and overconfidence in one’s knowledge. Experimental evidence is coupled with an innovative financial literacy assessment, which measures general competence, numeracy skills, and overconfidence in one’s knowledge. Results indicate that overconfidence is a significant determinant of behavior. Specifically, overconfident individuals make larger contributions in the investment game. We also document that there is an escalated effect in overconfident individuals who are also exhibit risk loving preferences.
Label-free screening small molecule compounds for protein ligands with optically detected microarrays

We developed an optical scanner for label-free screening small molecule compounds in microarray format for protein ligands. It has a detection throughput of 12,000 compounds per slide and thus promises screening 100,000 compounds per day.
Behavior of Viscoelastic Plates in Bending

Solutions of fundamental equation by use of Laplace transformation; quasi-static deflection of laterally loaded plates is obtained in terms of associated elastic deflection of similar plate; dynamic response of simply supported rectangular plates under no load; inertia forces due to deflection are taken into account and free vibrations of Maxwell and Kelvin type plate are given; simplifications in case of incompressible plate material.
Investigation of the field emission current from polycrystalline diamond films

The field emission current from boron doped polycrystalline diamond films was characterized as a function of voltage and temperature. The motivation for the current-temperature measurements was to assess the thermal stability of the diamond emitters and gain some insight into a possible emission mechanism. Results from the current-temperature (I-T) measurements found that the field emission current appeared independent of temperature. The best characterization of the results implied a temperature independent electron tunneling mechanism if not electron emission from the valence band of diamond.
Chiral Copper(II) Complex-Catalyzed Reactions of Partially Protected Carbohydrates

Catalyst-controlled regioselective functionalization of partially protected saccharide molecules is a highly important yet under-developed area of carbohydrate chemistry. Such reactions allow for the reduction of protecting group manipulation steps required in syntheses involving sugars. Herein, an approach to these processes using enantiopure copper–bis(oxazoline) catalysts to control couplings of electrophiles to various partially protected sugars is reported. In a number of cases, divergent regioselectivity was observed as a function of the enantiomer of catalyst that is used.
Stress-Time-Temperature Relations in Polysulfide Rubbers

Polysulfide rubbers of various internal structures have been investigated by measurements of continuous and intermittent relaxation of stress and by creep under constant load at temperatures between 35°C and 120°C. Continuous stress relaxation measurements indicate that these rubbers approximately obey the simple Maxwellian law of relaxation of stress, which indicates that one definite type of bond in the network structure is responsible for stress decay. The activation energy for the relaxation process in each of the polysulfide rubbers is nearly the same, indicating that the same type of bond is responsible for the relaxation behavior of all the polysulfides investigated. In contrast to the hydrocarbon rubbers, oxygen is not the cause of high temperature relaxation in polysulfide rubbers, nor does heating in air at moderate temperatures for times comparable to the relaxation time produce changes in physical properties as determined by modulus or by appearance of the samples. Several possibilities regarding the mechanism of the relaxation process and the type of bond involved are considered in the light of the experimental results.
The Most Effective Gold Nanorod Size for Plasmonic Photothermal Therapy: Theory and In Vitro Experiments

The development of new and improved photothermal contrast agents for the successful treatment of cancer (or other diseases) via plasmonic photothermal therapy (PPTT) is a crucial part of the application of nanotechnology in medicine. Gold nanorods (AuNRs) have been found to be the most effective photothermal contrast agents, both in vitro and in vivo. Therefore, determining the optimum AuNR size needed for applications in PPTT is of great interest. In the present work, we utilized theoretical calculations as well as experimental techniques in vitro to determine this optimum AuNR size by comparing plasmonic properties and the efficacy as photothermal contrast agents of three different sizes of AuNRs. Our theoretical calculations showed that the contribution of absorbance to the total extinction, the electric field, and the distance at which this field extends away from the nanoparticle surface all govern the effectiveness of the amount of heat these particles generate upon NIR laser irradiation. Comparing between three different AuNRs (38 × 11, 28 × 8, and 17 × 5 nm), we determined that the 28 × 8 nm AuNR is the most effective in plasmonic photothermal heat generation. These results encouraged us to carry out in vitro experiments to compare the PPTT efficacy of the different sized AuNRs. The 28 × 8 nm AuNR was found to be the most effective photothermal contrast agent for PPTT of human oral squamous cell carcinoma. This size AuNR has the best compromise between the total amount of light absorbed and the fraction of which is converted to heat. In addition, the distance at which the electric field extends from the particle surface is most ideal for this size AuNR, as it is sufficient to allow for coupling between the fields of adjacent particles in solution (i.e., particle aggregates), resulting in effective heating in solution.
Hard X-ray all-sky imaging with BATSE/CGRO

The large Area Detectors (LADs) of the BATSE experiment aboard the Comp­ ton Gamma-ray Observatory have been used recently as the first hard X-ray all-sky imager at energies between 20 keY and 300 keY. The Earth occultation process is formulated in terms of a curved Radon transform convoluted by a step transform in a selected field of view (FOV) ranging from 5° x5° to 40° x40oThe Maximum Entropy Method is then used to reconstruct an image in the hard X-ray sky. Multiple images of different regions of the sky can be produced simultaneously. A source location accuracy of 0.10 for strong sources and a sensitivity limit of 100 mCrab have been achieved in an one-day integration period.
Gridlock and delegation in a changing world

Fixed statutes and regulations often have variable consequences over time. If left unattended, such drift can severely erode the performance of government as an institution of representation. To better understand the mechanics of policy-making in a changing world, we develop a positive theory that captures political drift in a dynamic separation-of-powers system. We show analytically that a distinctive combination of legislative supermajoritarianism and agency discretion�institutional features that, in isolation, elicit widespread criticism�can effectively ameliorate policies' susceptibility to the vicissitudes of exogenous change. The critical mechanism for governmental accommodation of drift is delegation, which increases all decision makers' well-being by reducing fluctuations in outcomes. Although the complete smoothing of outcomes is attainable in a separation-of- powers system, we show that this is typically not achieved in equilibrium. The presence of drift provides an opportunity for self-interested legislators to extract a distributional benefit from their fellow legislators at the expense of overall policymaking efficiency.
Role of Akt Signaling in Mitochondrial Survival Pathway Triggered by Hypoxic Preconditioning

Background— The signaling pathways that control ischemia/reperfusion-induced cardiomyocyte apoptosis in heart have not been fully defined. In this study, we investigated whether Akt signaling has a role in the antiapoptotic pathways of preconditioning against hypoxia/reoxygenation (H/R). Methods and Results— Primary cultures of adult rat ventricular myocytes (ARVMs) were subjected to preconditioning (PC) by exposing the cells to 10 minutes of hypoxia followed by 30 minutes of reoxygenation. Non-PC and PC myocytes were subjected to 90 minutes of hypoxia followed by 120 minutes of reoxygenation. Hypoxic-PC protected the myocytes from subsequent H/R injury, as evidenced by decreased apoptosis and LDH release and increased cell viability. H/R-induced cytochrome c release and activation of caspase-3 and -9 were blocked by PC. This protective effect was inhibited by treating the cells with LY294002 (50 μmol/L), a PI3 kinase inhibitor, for 10 minutes before and during PC. PC also induced phosphorylation of Akt a...
The Renaissance of Bacillosamine and Its Derivatives: Pathway Characterization and Implications in Pathogenicity

Prokaryote-specific sugars, including N,N′-diacetylbacillosamine (diNAcBac) and pseudaminic acid, have experienced a renaissance in the past decade because of their discovery in glycans related to microbial pathogenicity. DiNAcBac is found at the reducing end of oligosaccharides of N- and O-linked bacterial protein glycosylation pathways of Gram-negative pathogens, including Campylobacter jejuni and Neisseria gonorrhoeae. Further derivatization of diNAcBac results in the nonulosonic acid known as legionaminic acid, which was first characterized in the O-antigen of the lipopolysaccharide (LPS) in Legionella pneumophila. Pseudaminic acid, an isomer of legionaminic acid, is also important in pathogenic bacteria such as Helicobacter pylori because of its occurrence in O-linked glycosylation of flagellin proteins, which plays an important role in flagellar assembly and motility. Here, we present recent advances in the characterization of the biosynthetic pathways leading to these highly modified sugars and inv...
Discussion of Consequences and Institutional Determinants of Unregulated Corporate Financial Statements: Evidence from Embedded Value Reporting

Serafeim [2011] examines the determinants and economic consequences of embedded value (EV) reporting, a voluntary disclosure arrangement in the life insurance industry. He finds substantial reductions in bid-ask spreads for EV reporting firms, and links the occurrence of this disclosure practice to the nature of competition in the insurance business. In my discussion, I focus on two aspects of his hypothesis development: (1) does EV reporting give rise to a credible commitment to transparency? (2) What are the country-level determinants of EV reporting? First, on a conceptual level, I highlight the distinction between an ex ante commitment to transparency and ex post voluntary disclosure. To illustrate my point, I examine the change in information asymmetry around various voluntary disclosure choices with varying degrees of commitment. I find a reduction in bidask spreads following U.S. cross-listings and the voluntary adoption of IFRS, but not after a switch to a Big Five auditor. These results let me gauge the magnitude of the effects for EV reporting. Second, I discuss the notion of complementarities among the elements of a country’s institutional environment. I then empirically show that institutional forces likely act both ways, i.e., from a single industry to the rest of the economy and vice versa, and that EV reporting is not independent from other voluntary commitment devices in a country. In sum, my findings underscore the importance of (and difficulties in) cleanly identifying the determinants and effects of voluntary disclosure choices. JEL classification: G14, G15, G30, K22, M41, M42