gebhart/patrepeval huggingface dataset:
Intrinsic Thermodynamics and Structures of 2,4‐ and 3,4‐Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases (2016)

The goal of rational drug design is to understand structure-thermodynamics correlations in order to predict the chemical structure of a drug that would exhibit excellent affinity and selectivity for a target protein. In this study we explored the contribution of added functionalities of benzenesulfonamide inhibitors to the intrinsic binding affinity, enthalpy, and entropy for recombinant human carbonic anhydrases (CA) CA I, CA II, CA VII, CA IX, CA XII, and CA XIII. The binding enthalpies of compounds possessing similar chemical structures and affinities were found to be very different, spanning a range from -90 to +10 kJ mol<sup>-1</sup> , and are compensated by a similar opposing entropy contribution. The intrinsic parameters of binding were determined by subtracting the linked protonation reactions. The sulfonamide group pK<sub>a</sub> values of the compounds were measured spectrophotometrically, and the protonation enthalpies were measured by isothermal titration calorimetry (ITC). Herein we describe the development of meta- or ortho-substituted fluorinated benzenesulfonamides toward the highly potent compound 10 h, which exhibits an observed dissociation constant value of 43 pm and an intrinsic dissociation constant value of 1.1 pm toward CA IX, an anticancer target that is highly overexpressed in various tumors. Fluorescence thermal shift assays, ITC, and X-ray crystallography were all applied in this work.
Applications of augmented‐vision head‐mounted systems in vision rehabilitation (2007)

Vision loss typically affects either the wide peripheral vision (important for mobility), or central vision (important for seeing details). Traditional optical visual aids usually recover the lost visual function, but at a high cost for the remaining visual function. We have developed a novel concept of vision-multiplexing using augmented vision head-mounted display systems to address vision loss. Two applications are discussed in this paper. In the first, minified edge images from a head-mounted video camera are presented on a see-through display providing visual field expansion for people with peripheral vision loss, while still enabling the full resolution of the residual central vision to be maintained. The concept has been applied in daytime and nighttime devices. A series of studies suggested that the system could help with visual search, obstacle avoidance, and nighttime mobility. Subjects were positive in their ratings of device cosmetics and ergonomics. The second application is for people with central vision loss. Using an on-axis aligned camera and display system, central visibility is enhanced with 1:1 scale edge images, while still enabling the wide field of the unimpaired peripheral vision to be maintained. The registration error of the system was found to be low in laboratory testing.
An Inexpensive Digital Integrator for Gas Chromatography (1972)

SUMMARY An inexpensive gas chromatographic integrator with digital readout is described. The device is precise to ±1 count and shows linear response to within ±2%. It is directly compatible with flame ionization detectors and is easily adapted to thermal conductivity detectors.
Precision Synthesis of Organic/Inorganic Hybrid Nanocapsules with a Silanol‐Functionalized Micelle Template (2003)

In a nutshell: An amphiphilic block copolymer that bears protected silanol groups was synthesized by atom-transfer radical polymerization, and the amphiphile was assembled to form a micelle in an aqueous medium. The micelle was mixed with a solution of active silicate, which resulted in the formation of a silica layer on the micelle surface to produce a novel type of organic/inorganic hybrid nanocapsule (see scheme). Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2003/z51398_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
Remote spectroscopic sensing of chemical adsorption using a single multimode optical fiber (1984)

A remote chemical sensor using a single optical fiber has been developed for collecting evanescently excited spectral signals from liquid samples. The sensor is particularly useful for the study of species adsorbed from solution onto the sensor surface. Fluorescence spectra were taken from dye solutions and dye-labeled proteins to demonstrate the evanescent operation of the probe. Raman data from benzene were collected to indicate its sensitivity in the bulk mode.
Techno-economic Analysis of Software Defined Networking as Architecture for the Virtualization of a Mobile Network (2012)

Worldwide mobile network operators have to spend billions to upgrade their own network to the latest standards for wireless communication of high-speed data for mobile phones (e.g. Long Term Evolution, LTE). This is in contrast with the decline in average revenue per user and threatens: (1) their profitability and (2) the fast adaptation of new standards. Investigating new mechanisms that can decrease the capital expenditures (capex) and operational expenditures (opex) of a mobile network is therefore essential. Enabling multiple mobile network operators on a common infrastructure is one such mechanism. Software defined networks can overcome this problem and a solution based on exploring OpenFlow (OF) as architecture for mobile network virtualization has been proposed. We investigate two network scenarios based on this OF solution in a techno-economic analysis: (scenario 1) software-defined, non-shared networks and (scenario 2) virtualized, shared networks and compare it against the current situation. By doing so, this paper provides insights on the relative cost savings that a mobile network operator can reach through Software Defined Networking (SDN) and network sharing. The techno-economic analysis indicates that SDN and virtualization of the first aggregation stage and second aggregation stage network infrastructure leads to substantial capex cost reductions for the mobile network operator. As a consequence, mobile network infrastructure virtualization through the use of OpenFlow could be one of the problem solvers to tackle the issue of rising costs and decreasing profitability. Still, we did not take into account the direct effect on operational expenditures and the indirect effect that network sharing can adversely affect the ability of the operators to differentiate themselves.
Spectroscopic analysis of Tm^3+ in PbO-Bi_2O_3-Ga_2O_3 glass (1995)

Tm(3+)-doped heavy metal oxide glasses in the PbO-Bi(2)O(3)-Ga(2)O(3) system were prepared, and their emission characteristics were examined. Three emission bands at the infrared wavelength region were observed, at 1.46, 1.79, and 2.36 µm, which are associated with the (3)H(4) ? (3)F(4), (3)F(4) ? (3)H(6), and (3)H(4) ? (3)H(5), transitions, respectively. Measured fluorescence lifetimes for the first two transitions were 0.160 and 1.035 ms, respectively. Oscillator strengths and intensity parameters suggest that the ionicity of Tm-Obonds in the glass is higher when compared with those in other oxide glass hosts. Higher radiative transition probabilities of the three infrared emissions than those calculated for other glasses appear to provide potentials for future laser applications.
Benefits of Wheel-Tool Gap Sensing in Conform™ Extrusion Machinery (2005)

This paper presents the results from the successful production trials of a gap sensing system for Conform/spl trade/ extrusion machinery and associated benefits. It is critical to maintain a precise pre-defined wheel-tool gap for the efficient running of the Conform extrusion process and to maintain product quality. A high-temperature capacitive gap sensing system is designed and implemented on a copper Conform extrusion machine in a production plant. First, it is shown that machine setup times prior to production can be reduced from 35 to 5 min with active gap sensing. The sensors can be used for on-line direct gap measurement and control, and, for the first time, provide a detailed view of extrusion zone gap behavior during a full production cycle. From the experimental results, three different stages of a Conform extrusion cycle, start, slugs feed, and steady-state extrusion, can be clearly identified. The gap sensor is used to evaluate the relationship between gap size, and waste levels. It is shown that there is a linear reduction of waste levels from 20% to 2%, when the gap size is reduced from 1 to 0.15 mm.
Selective sensing of triazine herbicides in imprinted membranes using ion-sensitive field-effect transistors and microgravimetric quartz crystal microbalance measurements (2002)

A series of triazine herbicides consisting of the chlorotriazine atranex (atrazine), (1), prozinex, (2), tyllanex, (3), simanex, (4) and the methylthiolated triazines ametrex, (5), prometrex, (6) and terbutex, (7), were imprinted in an acrylamide-methacrylate copolymer. The polymer was deposited on the gate surface of ion-sensitive field-effect transistors (ISFETs) and piezoelectric Au-quartz crystals. Selective sensing of the imprinted substrates was accomplished by the imprinted polymer membrane associated with the ISFETs and Au-quartz crystals. Binding of the substrates onto the imprinted polymer associated with the gate of the ISFET alters the electrical charge and potential of the gate interface, thus allowing the potentiometric transduction of the binding events. The association of the substrates with the imprinted membrane linked to the Au-quartz crystal results in the membrane swelling, thus enabling the microgravimetric quartz crystal microbalance assay of the substrate binding events. The specificity of the imprinted recognition sites is attributed to complementary H-bond and electrostatic interactions between the substrates and the acrylamide-methacrylic acid copolymer.
Secure Electronic Transactions (SET): A Case of Secure System Project Failures (2013)

Secure Electronic Transactions (SET) is a security protocol for an electronic payment system that utilises PKI to address e-commerce security and privacy concerns.Although PKI technologies used by the SET protocol were proven to be effective in addressing security issues in e-commerce, several implementation issues were found from SET applications de-signed to support security mechanisms ofPKI.SET failed to be implemented by e-commerce end-users.This paper studies how SET was predicted, designed, and rejected by e-commerce end-users.PKI issues associated with SET implementation in B2C e-commerce are also reviewed.Although e-commerce end-users are concerned about security issues, usability is a more dominant factor than security for a secure system project to be adopted by the users.Index Terms-Certification authorities (CAs), public key infrastructure (PKI), secure socket layer (SSL), secure electronic transactions (SET) I. BACKGROUND When e-commerce was introduced as an alternative shop-ping method a decade ago, a number of research scholars believed that the growth of e-commerce relied on a number of security-related factors [1], [2], [3], [4] although e-commerce provided many benefits to consumers (e.g., convenience, greater choice, lower prices and more information).In order to address e-commerce security requirements, well-established cryptography was believed to be a 'magic pill'.An apparently secure e-commerce website would, in theory, convince potential e-commerce customers to become regular e-commerce customers.According to Giff [5], "[a]n example of increasing security to increase trust comes from people being more willing to engage in e-commerce if they are assured that their credit card numbers and personal data are cryptographically protected".In this light, PKI (Public Key Infrastructure) [6] was pointed out as a solution to e-commerce security and privacy concerns.According to Farrell and Zolotarev [7], PKI is vital for e-commerce security, since many applications that use PKI are not Web services and PKI is the only choice available for connecting business relationships to keys and identities when more than one domain is involved.In addition, Piper [8, p.24] stated that "Security is obviously a major concern for all potential users of E-commerce and the use of (public key) cryptography is an important issue".PKI is the subject of standardization by a number of bodies, including the IETF, ITU-T and ISO/IEC.PKI is the infrastructure necessary for
Absence of a Role for Phosphorylation in the Tau Pathology of Alzheimer’s Disease (2016)

Alzheimer's disease is characterized by redistribution of the tau protein pool from soluble to aggregated states. Aggregation forms proteolytically stable core polymers restricted to the repeat domain, and this binding interaction has prion-like properties. We have compared the binding properties of tau and tubulin in vitro using a system in which we can measure binding affinities for proteins alternated between solid and aqueous phases. The study reveals that a phase-shifted repeat domain fragment from the Paired Helical Filament core contains all that is required for high affinity tau-tau binding. Unlike tau-tubulin binding, tau-tau binding shows concentration-dependent enhancement in both phase directions due to an avidity effect which permits one molecule to bind to many as the concentration in the opposite phase increases. Phosphorylation of tau inhibits tau-tau binding and tau-tubulin binding to equivalent extents. Tau-tau binding is favoured over tau-tubulin binding by factors in the range 19-41-fold, irrespective of phosphorylation status. A critical requirement for tau to become aggregation-competent is prior binding to a solid-phase substrate, which induces a conformational change in the repeat domain permitting high-affinity binding to occur even if tau is phosphorylated. The endogenous species enabling this nucleation event to occur in vivo remains to be identified. The findings of the study suggest that development of disease-modifying drugs for tauopathies should not target phosphorylation, but rather should target inhibitors of tau-tau binding or inhibitors of the binding interaction with as yet unidentified endogenous polyanionic substrates required to nucleate tau assembly.
Characteristics of Generation X and Implications for Reference Services and the Job Search (1996)

Today's students, members of Generation X, are in many ways different from the baby boomers who, for the most part, now design and provide most of the services in academic libraries. Xers have a findamentally different world view that is being heavily explored in marketing and demographic circles, but not so much in the library literature. Recognizing a few major cultural differences may help librarians to better meet the changing needs of today's students.
IMS signaling for Smart Grid home controllers (2011)

This paper discusses the viability of using Session Initiation Protocol (SIP) transport for Smart Grid signaling. Smart grids will jointly optimize energy production and demand, in a scenario with millions of smart meters and microenergy sources (e.g. solar panels or electric cars). This will place stringent requirements on telco networks. Information technologies will have to provide scalable signaling solutions that meet quality of service goals. SIP is a good candidate to serve Smart Grid communication needs. It is widely used in Voice over Internet Protocol (VoIP) and Instant Messaging (IM) and is the base protocol of the IP Multimedia Subsystem (IMS), on which all VoIP networks will rely. The adoption of SIP as a Smart Grid transport protocol may be a first step towards Smart Grid becoming an IMS service.
Evaluation of Guava Seeds (Psidium Guajava) As a Low- Cost Biosorbent for the Removal of Fluoride from Aqueous Solutions (2012)

Abstract:- The sorption of fluoride ions by guava seeds (GS) from aqueous solutions in batch systems was investigated. The kinetic parameters, as well as the sorption capacities, of GS at different temperatures were evaluated. It was found that the pseudo second-order kinetic model describes the sorption kinetic experimental data and that the Langmuir model describes the isotherms. It was also found that pH has an important effect on the adsorption of fluoride ions by GS, as more were removed at pH values between 5 and 8. Sorption capacities of fluoride increase as temperature rise; suggesting an endothermic nature of the process. GS showed a high affinity for fluoride ions compared with conventional adsorbents; therefore, it can be considered as a good low-cost biosorbent for defluoridation of water.
Fiber grating Sagnac loop and its multiwavelength-laser application (2000)

We introduce a novel simple comb filter, which is based on a Sagnac interferometer with a fiber Bragg grating asymmetrically located in its fiber loop. The filter has advantages of simple design and easy fabrication, low insertion loss and low cost. Two filters with triple bandpasses and dual bandpasses, respectively, were fabricated and applied to an erbium-doped fiber ring laser. Stable triple-wavelength and dual-wavelength laser operations have been demonstrated.
Dynamic load balancing on GPU clusters for large-scale K-Means clustering (2012)

K-Means is the clustering algorithm which is widely used in many areas such as information retrieval, computer vision and pattern recognition. With the recent advance in General Purpose Graphics Processing Unit (GPGPU), we can use a modern GPU which is capable to do computation up to Tflops to calculate K-Means clustering on average problems. However, due to the exponential growth of data, the K-Means clustering on a single GPU will not be adequate for large datasets in the near future. In this paper, we present the design and implementation of an efficient large-scale parallel K-Means on GPU clusters. We utilize the massive parallelism in GPUs to speed up the most time consuming part of K-Means clustering in each node. We employ the dynamic load balancing to distribute workload equally on different GPUs installed in the clusters so as to improve the performance of the parallel K-Means at the inter-node level. We also take advantage from software distributed shared memory to simplify the communication and collaboration among nodes. The result of the evaluation shows the performance improvement of the parallel K-Means by maintaining load balance on GPU clusters.
A selected bibliography of biomedical and environmental applications of stable isotopes. II—13C 1971-1976 (1978)

A compilation of selected references to the use of 13C in biochemical, pharmacological, clinical and environmental applications for the period 1971–1976 is presented. Author and subject indices have been compiled to enable the reader to make further use of this information.
No Pain, No Gains (2001)

No pain, no gains. Pain and memory are two critical functions of animals and humans. Through painful experience humans and animals learn what is potentially harmful and then store this information in the brain in order to avoid future injury. It is the essential skill for animals and humans to survive through their lifespan. However, it is unclear if both processes may share common signal molecules or proteins in the brain. It is known that the NMDA receptor, a receptor for glutamate, in the higher structures of the brain is important for memory formation and storage. NMDA receptors in the spinal cord contribute to central sensitization of sensory information such as pain after injuries.
Mobile fog (2013)

The ubiquitous deployment of mobile and sensor devices is creating a new environment, namely the Internet of Things(IoT), that enables a wide range of future Internet applications. In this work, we present Mobile Fog, a high level programming model for the future Internet applications that are geospatially distributed, large-scale, and latency-sensitive. We analyze use cases for the programming model with camera network and connected vehicle applications to show the efficacy of Mobile Fog. We also evaluate application performance through simulation.
Fractalkine‐induced activation of the phosphatidylinositol‐3 kinase pathway attentuates microglial activation <i>in vivo</i> and <i>in vitro</i> (2009)

Several neurodegenerative disorders are associated with evidence of inflammation, one feature of which is increased activation of microglia, the most likely cellular source of inflammatory cytokines like interleukin-1beta. It is now recognized that interaction of microglia with other cells contributes to maintenance of microglia in a quiescent state and the complementary distribution of the chemokine, fractalkine (CX(3)CL1) on neurons and its receptor (CX(3)CR1) on microglia, suggests that this interaction may play a role in modulating microglial activation. Here we demonstrate that both soluble and membrane-bound fractalkine attenuate lipopolysaccharide-induced microglial activation in vitro. We also show that fractalkine expression is reduced in the brain of aged rats and this is accompanied by an age-related increase in microglial activation. Treatment of aged rats with fractalkine attenuates the age-related increase in microglial activation and the evidence indicates that fractalkine-induced activation of the phosphatidylinositol-3 kinase pathway is required to maintain microglia in a quiescent state both in vivo and in vitro.
Jet Lag: Clinical Features, Validation of a New Syndrome-Specific Scale, and Lack of Response to Melatonin in a Randomized, Double-Blind Trial (1999)

The use of melatonin for preventing jet lag needs further study.
Speech signal analysis for the estimation of heart rates under different emotional states (2016)

A non-invasive method for the monitoring of heart activity can help to reduce the deaths caused by heart disorders such as stroke, arrhythmia and heart attack. Human voice can be considered as a biometric data that can be used for estimation of heart rate. In this paper, we propose a method for estimating the heart rate from human speech dynamically using voice signal analysis and by development of a empirical linear predictor model. The correlation between voice signal and heart rate are established by classifiers and prediction of the heart rates with or without emotions are done using linear models. The prediction accuracy was tested using the data collected from 15 subjects, it is about 4050 samples of speech signals and corresponding electrocardiogram samples. The proposed approach can use for early non-invasive detection of heart rate changes that can be correlated to emotional state of the individual and also can be used as tool for diagnosis of heart conditions in real-time situations.
GaAs/GaAlAs multiquantum well waveguides for all-optical switching at 1.55 μm (1991)

The first measurements of selfphase modulation and nonlinear absorption in a GaAs/GaAlAs multiquantum well (MQW) waveguide near the half-bandgap resonance are reported. An intensity-dependent refractive index coefficient n2 of 9×10−14 cm2/W and a two-photon absorption coefficient of 0.15 cm/GW at 1.55 μm wavelength for TM light were obtained. This corresponds to an intensity-independent figure of merit of 24 rad phase change in one nonlinear absorption length, high enough to allow the implementation of subpicosecond all-optical switches at 1.55 μm wavelength.