gebhart/patrepeval huggingface dataset:
Control of Salivary Secretion by Nitric Oxide and Its Role in Neuroimmunomodulation (2000)

In many in vivo systems exposure to endotoxins (LPS) leads to the co-induction of inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2), which is important to the regulation of the function of different systems during infection. In submandibular glands (SMG) neural (n)NOS is localized in neural terminals and in striated, granular convoluted and excretory ducts, endothelial (e)NOS in vascular endothelium and ducts, and iNOS in macrophages and in tubules and ducts. In normal adult male rats, injection of an inhibitor of NOS decreased the stimulated salivary secretion and a donor of NO potentiated it, indicating that NO exerts a stimulatory role. A single high dose of LPS (5 mg/kg, i.p.) induced an increase in NOS activity measured by the 14C-citrulline method, increased PGE content almost 100% as measured by RIA, and blocked stimulated salivary secretion. The administration of a specific iNOS inhibitor, aminoguanidine (AG), with LPS not only decreased NOS activity but significantly decreased PGE content, indicating that NO triggered the activation of COX-2. LPS increased conversion of labeled arachidonate to prostaglandins (PGs) showing that COX was induced. Since a PGE1 analogue blocked stimulated salivation, the LPS-induced inhibition of salivation is probably due to release of PGs. Therefore, the use of inhibitors of iNOS and COX-2 could be very useful to increase salivation during infection since saliva has antimicrobial actions.
Synthesis and complete assignment of the 1H and 13C NMR signals of new acetamido and aminoflavonoid derivatives (2010)

The complete (1)H and (13)C NMR assignment of 9 acetamidochalcones, 18 acetamidoflavones, 18 aminoflavones, 9 acetamidoflavonols and 9 aminoflavonols has been performed using one- and two-dimensional NMR techniques including COSY, HMQC and HMBC experiments.
Efficient Hit-to-Lead Searching of Kinase Inhibitor Chemical Space via Computational Fragment Merging (2021)

Abstract In early stage drug discovery, the hit-to-lead optimization (or “hit expansion”) stage entails starting from a newly-identified active compound, and improving its potency or other properties. Traditionally this process relies on synthesizing and evaluating a series of analogs to build up structure-activity relationships. Here, we describe a computational strategy focused on kinase inhibitors, intended to expedite the process of identifying analogs with improved potency. Our protocol begins from an inhibitor of the target kinase, and generalizes the synthetic route used to access it. By searching for commercially-available replacements for the individual building blocks used to make the parent inhibitor, we compile an enumerated library of compounds that can be accessed using the same chemical transformations; these huge libraries can exceed many millions – or billions – of compounds. Because the resulting libraries are much too large for explicit virtual screening, we instead consider alternate approaches to identify the top-scoring compounds. We find that contributions from individual substituents are well-described by a pairwise additivity approximation, provided that the corresponding fragments position their shared core in precisely the same way relative to the binding site. This key insight allows us to determine which fragments are suitable for merging into a single new compounds, and which are not. Further, the use of the pairwise approximation allows interaction energies to be assigned to each compound in the library, without the need for any further structure-based modeling: interaction energies instead can be reliably estimated from the energies of the component fragments, and the reduced computational requirements allow for flexible energy minimizations that allow the kinase to respond to each substitution. We demonstrate this protocol using libraries built from six representative kinase inhibitors drawn from the literature, which target five different kinases: CDK9, CHK1, CDK2, EGFR T790M , and ACK1. In each example, the enumerated library includes additional analogs reported by the original study to have activity, and these analogs are successfully prioritized within the library. We envision that the insights from this work can facilitate the rapid assembly and screening of increasingly large libraries for focused hit-to-lead optimization. To enable adoption of these methods and to encourage further analyses, we disseminate the computational tools needed to deploy this protocol. Graphical Abstract
Polymer supported vanadium and molybdenum complexes as potential catalysts for the oxidation and oxidative bromination of organic substrates (2006)

The Schiff base (H2fsal-ohyba) derived from 3-formylsalicylic acid and o-hydroxybenzylamine has been covalently bonded to chloromethylated polystyrene cross-linked with 5% divinylbenzene (abbreviated as PS-H(2)fsal-ohyba, I). Treatment of [VO(acac)2] with PS-H2fsal-ohyba in dimethylformamide (DMF) gave the oxovanadium(iv) complex PS-[VO(fsal-ohyba).DMF] (1). Complex 1 can be oxidized into the dioxovanadium(v) species, PS-K[VO2(fsal-ohyba)] (2) on aerial oxidation in the presence of KOH or into the oxoperoxo species, PS-K[VO(O2)(fsal-ohyba)] (3) in the presence of H2O2 and KOH in DMF suspension. Similarly, PS-[MoO(2)(fsal-ohyba).DMF] (4) has been isolated by the reaction of [MoO2(acac)2] with PS-H2fsal-ohyba. All these complexes have been characterised by various techniques. These complexes catalyse the oxidation of styrene, ethylbenzene and phenol efficiently. Styrene gives five reaction products namely styrene oxide, benzaldehyde, 1-phenylethane-1,2-diol, benzoic acid and phenylacetaldehyde, while ethylbenzene gives benzaldehyde, phenyl acetic acid, styrene and 1-phenylethane-1,2-diol. The oxidation products of phenol are catechol and p-hydroquinone. These catalysts are also able to catalyse the oxidative bromination of salicylaldehyde to 5-bromosalicylaldehyde with ca. 80% selectively in the presence of aqueous 30% H2O2/KBr, a reaction similar to that exhibited by vanadate-dependent haloperoxidases. Their corresponding neat complexes have also been prepared and their catalytic activities have been compared.
Robust Network Design for Roadway Networks: Unifying Framework and Application (2015)

Disturbances in roadway networks due to increases in demand or drops in network capacity can severely degrade the performance of the system. The robustness of a roadway network to such disturbances has been investigated using a variety of methods leading to disparate robust network designs. This paper introduces a unifying framework for understanding and applying different robust network designs based on the context of traffic disturbances and design goals. It presents the objectives, requirements and examples of robust network design with long-term (planning) and shortterm (operation) goals. A sample case study is presented to assess a short-term robust network design using traffic assignment. The preliminary testing results compared to conventional User Equilibrium and System Optimal traffic assignment, demonstrate 20% and 10% travel time savings with demand increase and supply reduction, respectively.
Worst-case performance of a buffer with independent shaped arrival processes (2000)

In both asynchronous transfer mode (ATM) standards and evolving Internet guidelines, deterministic shaping has two principle objectives: (1) to facilitate the allocation of a suitable amount of resources (buffer memory, bandwidth) to a connection to achieve its required quality of service and (2) to easily police traffic and assure "fair" access to a shared resource. We take an ATM context and use fluid modeling, which is appropriate because ATM uses small fixed-length (53-byte) packets called cells. A buffer in a network access node with independent and identically distributed shaped arrival processes is considered. A worst-case performance bound is derived that relies only on the traffic shaping parameters.
Arrival of Chikungunya Virus in the New World: Prospects for Spread and Impact on Public Health (2014)

For the first time in modern scientific history, chikungunya virus has established its mosquito-human transmission cycle in the Americas. The history of dengue control, recent findings on chikungunya strain variation, and public health preparedness indicate the likelihood of the further spread of this outbreak.
Design of a flash-based reference voltage generator for drain bias circuit (2007)

The design of a flash-based reference voltage generator used to generate the drain bias reference voltage for flash sensing is described. The flash cell drain must maintain a stable voltage during read operation, irrespective of supply voltage within the chip, to avoid drain disturb condition. Since this reference voltage needs to supply the entire chip, the high capacitance associated with this node usually requires a long time to power-up. A scheme used to reduce the power-up time by a factor 20× from conventional design, while maintaining the design required precision of 2% in the reference voltage output is described. Since the circuit is also required to be ON during the entire operational phase of the chip, design methods used to lower the current consumed by the circuit using a sample-and-hold scheme are also discussed.
Measuring the efficiency of decision making units (1978)

A nonlinear (nonconvex) programming model provides a new definition of efficiency for use in evaluating activities of not-for-profit entities participating in public programs. A scalar measure of the efficiency of each participating unit is thereby provided, along with methods for objectively determining weights by reference to the observational data for the multiple outputs and multiple inputs that characterize such programs. Equivalences are established to ordinary linear programming models for effecting computations. The duals to these linear programming models provide a new way for estimating extremal relations from observational data. Connections between engineering and economic approaches to efficiency are delineated along with new interpretations and ways of using them in evaluating and controlling managerial behavior in public programs.
Evaluation of a plasmid DNA-based anthrax vaccine in rabbits, nonhuman primates and healthy adults (2009)

VCL-AB01, a cationic lipid-formulated plasmid DNA (pDNA)-based vaccine that contains genes encoding genetically detoxified Bacillus anthracis protective antigen (PA) and lethal factor (LF), was assessed in a Phase 1, dose-escalating clinical trial in healthy adults for safety and immunogenicity, and in nonhuman primates for immunogenicity and efficacy against challenge with a lethal dose of B. anthracis spores. Healthy 18-45 year old subjects were randomly assigned to receive either the investigational vaccine containing 0.2 mg, 0.6 mg, or 2 mg of total pDNA per dose, or saline placebo, administered at 0, 1 and 2 months. The 0.2 mg and 0.6 mg dose levels were generally well tolerated; however, dose-limiting reactogenicity was observed among subjects given the first 2 mg dose and the remaining two injections in the 2 mg group were reduced to 0.6 mg. Dose-related increases in seroconversion frequencies were observed. Overall, 10%, 33.3% and 80% of subjects in the 0.2, 0.6 and 2 mg groups, respectively, developed antibodies to PA and/or LF as measured by ELISA; however, antibodies with toxin neutralizing activity (TNA) were detected in only one subject. In monkeys that received a 0.6 mg dose three times at 2 week intervals, low levels of antibodies were detected by ELISA but not by the TNA assay in all animals just prior to challenge. Despite the absence of TNA, 75% animals survived the lethal challenge. In summary, VCL-AB01 was generally well tolerated in humans at a dose that provided immunity in monkeys despite the lack of robust TNA titers in either species.
Humans and Technology for Inclusive Privacy and Security (2020)

Computer security and user privacy are critical issues and concerns in the digital era due to both increasing users and threats to their data. Separate issues arise between generic cybersecurity guidance (i.e., protect all user data from malicious threats) and the individualistic approach of privacy (i.e., specific to users and dependent on user needs and risk perceptions). Research has shown that several security- and privacy-focused vulnerabilities are technological (e.g., software bugs (Streiff, Kenny, Das, Leeth, &amp; Camp, 2018), insecure authentication (Das, Wang, Tingle, &amp; Camp, 2019)), or behavioral (e.g., sharing passwords (Das, Dingman, &amp; Camp, 2018); and compliance (Das, Dev, &amp; Srinivasan, 2018) (Dev, Das, Rashidi, &amp; Camp, 2019)). This panel proposal addresses a third category of sociotechnical vulnerabilities that can and sometimes do arise from non-inclusive design of security and privacy. In this panel, we will address users’ needs and desires for privacy. The panel will engage in in-depth discussions about value-sensitive design while focusing on potentially vulnerable populations, such as older adults, teens, persons with disabilities, and others who are not typically emphasized in general security and privacy concerns. Human factors have a stake in and ability to facilitate improvements in these areas.
Laser Technology for Compact, Narrow-bandwidth Gamma-ray Sources (2010)

Compton-scattering is a well-known process, observed and described by Arthur H. Compton in 1924, where the energy of an incident photon is modified by an inelastic scatter with matter In 1948, Feenberg and Primakoff presented a theory of Compton backscattering, where photons can gain energy through collisions with energetic electrons In 1963, Milburn and Arutyanyan and Tumanyan developed a concept for Compton-scattering light sources based on colliding an accelerated, relativistic electron beam and a laser When an infrared photon scatters off a relativistic electron beam, its wavelength can be Doppler-upshifted to X-rays. Under properly designed conditions, we can generate high brightness, high flux, MeV-scale photons by colliding an intense laser pulse with a high quality, electron beam accelerated in a Linac. Despite being incoherent, the Compton-generated gamma-rays share many of the laser light characteristics: low divergence, high flux, narrow-bandwidth, and polarizability. Traditional laser sources operate in a 0.1-10 eV range, overlapping most of the molecular and atomic transitions. Transitions inside the nucleus have energies greater than 0.1 MeV. By matching the gamma-ray energy to a particular nuclear transition, we can target a specific isotope, akin to using a laser to excite a particular atomic or molecular transition. Narrow-bandwidth gamma-ray sources enable high impact technological and scientific missions such as isotope-specific nuclear resonance fluorescence (NRF) (Bertozzi & Ledoux,
Dimensional Reasoning and Research Design Spaces (2017)

We present an exploration into the use of dimensional reasoning and the creation of research design spaces. We hypothesized that researchers, engaged in open-ended creative problem solving, could adapt the methods of design thinking and design spaces to create dimensionalized research design spaces. To investigate how researchers might explicitly engage in such dimensionalization processes, we created and studied (n=5, n=5) an interactive web-based system for the creation of research design spaces. Our results showed that a 'dimensions-first' approach was difficult for researchers to work with. We then created and studied (n=11) a prototype 'examples-first' approach. Our results suggest that the ability of researchers to explicitly dimensionalize their research areas is quite varied and that significant scaffolding is required to help researchers reason in this way.
Desequilibrio entre evidencia y práctica: búsqueda de la evidencia en los tratamientos más frecuentes (2003)

La practica de la medicina basada en la evidencia exige el uso de los mejores datos cientificos disponibles para decidir el tratamiento del paciente individual. La eficacia y la seguridad de muchos tratamientos neonatales no se han investigado detalladamente. En este articulo se revisa la evidencia a favor y en contra de seis tratamientos de uso habitual. Se consideran la pracica actual de estos tratamientos y las implicaciones de la practica futura.
Low delay FIR filter banks: design and evaluation (1994)

The subject of this paper is the design of low and minimum delay, exact reconstruction analysis-synthesis systems based on filter banks. It presents a time domain approach to the problem of designing FIR filter banks with adjustable reconstruction delays. It is shown that using a time domain formulation for the analysis-synthesis systems, the system delay can be considered to be relatively independent of the length of the analysis and synthesis filters. After a summary of the time domain analysis and design framework, the design of low and minimum delay systems is considered in detail. Several design examples are provided in the paper to demonstrate the performance of the design algorithm.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Exploring atomic-scale lateral forces in the attractive regime: a case study on graphite (0001) (2012)

A non-contact atomic force microscopy-based method has been used to map the static lateral forces exerted on an atomically sharp Pt/Ir probe tip by a graphite surface. With measurements carried out at low temperatures and in the attractive regime, where the atomic sharpness of the tip can be maintained over extended time periods, the method allows the quantification and directional analysis of lateral forces with piconewton and picometer resolution as a function of both the in-plane tip position and the vertical tip-sample distance, without limitations due to a finite contact area or to stick-slip-related sudden jumps of tip apex atoms. After reviewing the measurement principle, the data obtained in this case study are utilized to illustrate the unique insight that the method offers. In particular, the local lateral forces that are expected to determine frictional resistance in the attractive regime are found to depend linearly on the normal force for small tip-sample distances.
A rough set approach to measuring information granules (2003)

This article introduces an approach to measures of information granules based on rough set theory. Informally, an information granule is a representation of a multiset (or bag) of real-world objects that are somehow indistinguishable, or similar, or which cause the same functionality. Examples of measures of information granules based on the rough set theory are inclusion, closeness, size, and enclosure. All of these measures are based on rough inclusion. This paper is limited to a consideration of measures of inclusion based on a straightforward extension of classical rough membership functions and closeness based on measurement of separation of equivalence classes in a partition of the universe containing information granules. Measurement of sensor-based information granules has been motivated by recent studies of sensor signals. A sensor signal is a non-empty, finite set of sample sensor signal values temporally ordered. Classification of sensor signals requires measurements of sample signal values over subintervals of time. This article introduces a rough set approach to measuring information granule inclusion and closeness.
Evaluation of Ethyl 2-Carbomethoxyethenesulfinates as 2-Hydroxymethyl Enethiol Equivalents in the Diels—Alder Reaction. (2005)

For Abstract see ChemInform Abstract in Full Text.
Large Cyclodextrins (2003)

Abstract For Abstract see ChemInform Abstract in Full Text.
Cu2ZnSnSe4 films from binary precursors (2013)

The precursor stacked films of consistent binary chalcogenides (ZnSe, SnSe, CuSe) were deposited onto molybdenum covered soda-lime glass substrates by vacuum evaporation. Thermal treatments in SnSe2 or elemental selenium containing atmospheres were used for copper-zinc-tin-sulphide (CZTSe) formation. XPS investigations confirm the formation of CZTSe films homogeneous in bulk in both selenization atmospheres. At the same time, surface area composition of films selenized in Se and SnSe2 differed and the surface layer of CTZSe films selenized in SnSe2 atmosphere was tin–rich, containing separate phases of Se and SnSe2. The etching of CZTSe films with 1% Br2-MeOH (bromine in methanol) at the rate of 75 nm/s removed mainly metals from the surface films and left precipitates of Se on the surface. Solar cell structures with the efficiency of about 3% were developed using selenized and etched films.
Prevention of nifedipine of abnormal coronary vasoconstriction in patients with coronary artery disease. (1981)

The hemodynamic and myocardial metabolic responses to the cold pressor test were studied in 15 patients with coronary artery disease and stable exertional angina. Every patient had abnormal coronary vasoconstriction during a control cold pressor test, even though 14 were receiving propranolol and 12 were receiving long acting nitrates. Mean coronary vascular resistance for the group increased 18 +/- 6% (SD) (from 0.80 +/- 0.12 to 0.94 +/- 0.20 mm Hg/ml/min, p less than 0.05); coronary sinus blood was unchanged, and the arterial-coronary sinus oxygen difference widened significantly (from 11.5 +/- 1.2 to 12.3 +/- 1.2 ml/100 ml, p less than 0.05). Four patients developed angina, accompanied in each instance by a negative arterial-coronary sinus lactate difference. After the administration of nifedipine (10 mg buccally) in 10 patients, the coronary vascular responses to a repeat cold pressor test were normal in each patient. Mean coronary sinus blood flow increased 27 +/- 12% (from 122 +/- 32 to 153 +/- 35 ml/min, p less than 0.05), coronary vascular resistance decreased 10 +/- 6% (from 0.85 +/- 0.16 to 0.76 +/- 0.16 mm Hg/ml/min, p less than 0.05), and the arterial-coronary sinus oxygen difference was unchanged. No patient experienced angina. The hemodynamic and coronary vascular responses to a repeat cold pressor test in five patients given placebo were unaltered from control responses. The protective effects of nifedipine were unaccompanied by any change in mean arterial pressure, left ventricular filling pressure or myocardial oxygen consumption either at rest or in response to the cold pressor test. Nifedipine appears to exert a selective antivasoconstrictor effect on the coronary vasculature.
Nonfullerene acceptors for P3HT-based organic solar cells (2021)

Poly(3-hexylthiophene) (P3HT) is a promising donor for the large-scale organic solar cell fabrication in a cost-effective way. A series of nonfullerene acceptors compatible with P3HT are summarized in this review.
Effects of Feeding Rate, Seawater Entry, and Exposure to Natural Biota on the Severity of Net-Pen Liver Disease among Pen-Reared Atlantic Salmon (1996)

Abstract Net-pen liver disease (NLD), is a common toxicopathic disease of Atlantic salmon Salmo salar reared in seawater in British Columbia and Washington State. The disease is apparently caused by the natural toxin, microcystin-LR. Although the source of the toxin in the marine environment has not been identified, fish may become exposed by feeding on natural biota associated with net-pens. Fish held in a net-pen at an affected site that were fed to satiation twice daily had less NLD compared with similar groups fed only twice weekly. Time of entry to seawater did not effect the severity of NLD. In another experiment, to greatly minimize contact with this biota and keep other parameters the same, 10 Atlantic salmon were held in an aquarium that received water pumped from an affected net-pen. Whereas all the livers examined from fish held in this net-pen showed histological changes consistent with NLD, the livers from the fish held in the aquarium for the same period were normal. We conclude that NLD is best avoided by ensuring that Atlantic salmon postsmolts feed well on commercial pellets.