gebhart/patrepeval huggingface dataset:
Study of Acyl Group Migration by Femtosecond Transient Absorption Spectroscopy and Computational Chemistry (2007)

The primary photophysical and photochemical processes in the photochemistry of 1-acetoxy-2-methoxyanthraquinone (1a) were studied using femtosecond transient absorption spectroscopy. Excitation of 1a at 270 nm results in the population of a set of highly excited singlet states. Internal conversion to the lowest singlet npi* excited state, followed by an intramolecular vibrational energy redistribution (IVR) process, proceeds with a time constant of 150 +/- 90 fs. The 1npi* excited state undergoes very fast intersystem crossing (ISC, 11 +/- 1 ps) to form the lowest triplet pipi* excited state which contains excess vibrational energy. The vibrational cooling occurs somewhat faster (4 +/- 1 ps) than ISC. The primary photochemical process, migration of acetoxy group, proceeds on the triplet potential energy surface with a time constant of 220 +/- 30 ps. The transient absorption spectra of the lowest singlet and triplet excited states of 1a, as well as the triplet excited state of the product, 9-acetoxy-2-methoxy-1,10-anthraquinone (2a), were detected. The assignments of the transient absorption spectra were supported by time-dependent DFT calculations of the UV-vis spectra of the proposed intermediates. All of the stationary points for acyl group migration on the triplet and ground state singlet potential energy surfaces were localized, and the influence of the acyl group substitution on the rate constants of the photochemical and thermal processes was analyzed.
High-resolution ADC operation up to 19.6 GHz clock frequency (2001)

We have designed, fabricated and tested the second-generation (2G) design of a high-resolution, dynamically programmable analog-to-digital converter (ADC) for radar and communications applications. The ADC chip uses the phase modulation–demodulation architecture and on-chip digital filtering. The 2G ADC design has been substantially enhanced. Both ADC front-end modulator and demodulator, as well as decimation digital filter, have been redesigned for operation at 20 GHz. Test results of this 6000 Josephson junction 2G ADC chip at clock frequencies up to 19.6 GHz are described. These test results were compared to the results of ADC functional simulation using MATLAB.
A microfabricated array of clamps for immobilizing and imaging C. elegans (2007)

This paper describes the fabrication of a microfluidic device for rapid immobilization of large numbers of live C. elegans for performing morphological analysis, microsurgery, and fluorescence imaging in a high-throughput manner. The device consists of two principal elements: (i) an array of 128 wedge-shaped microchannels, or clamps, which physically immobilize worms, and (ii) a branching network of distribution channels, which deliver worms to the array. The flow of liquid through the device (driven by a constant pressure difference between the inlet and the outlet) automatically distributes individual worms into each clamp. It was possible to immobilize more than 100 worms in less than 15 min. The immobilization process was not damaging to the worms: following removal from the array of clamps, worms lived typical lifespans and reproduced normally. The ability to monitor large numbers of immobilized worms easily and in parallel will enable researchers to investigate physiology and behavior in large populations of C. elegans.
Method for improvement of immunity from environment in Faraday-effect current sensor using the flint glass fiber (1994)

This paper describes about a method to improve immunity from the environment of the flint glass fiber Faraday effect current sensor. Principle of the method is reciprocation of light in the fiber. From the result of experiment it was confirmed that stable properties can be realized by applying the method.
Low Vccmin fault-tolerant cache with highly predictable performance (2009)

Transistors per area unit double in every new technology node. However, the electric field density and power demand grow if Vcc is not scaled. Therefore, Vcc must be scaled in pace with new technology nodes to prevent excessive degradation and keep power demand within reasonable limits. Unfortunately, low Vcc operation exacerbates the effect of variations and decreases noise and stability margins, increasing the likelihood of errors in SRAM memories such as caches. Those errors translate into performance loss and performance variation across different cores, which is especially undesirable in a multi-core processor.
Combined Experimental-Numerical Analysis of Transient Phenomena in a Photoelectrochemical Water Splitting Cell (2016)

A combined experimental-numerical approach was used to study transient phenomena occurring in a photoelectrochemical cell using a membrane-separated porous TiO2-based photoanode and a dark Pt-based cathode. The effects of three parameters (pH in the anodic compartment, operating cell temperature, and cathode compartment preconditioning with hydrogen) on the photocurrent was systematically investigated using design of experiments and analysis of variance. A theoretical model was developed able to accurately reproduce and predict the measurements. The model indicated that the electrochemical reaction uses two parallel pathways on the anodic interface. The first pathway represented the rapid charging of surface states and the subsequent formation of acidic titanol groups at the TiO2/H2O interface which, upon illumination, caused an anodic overshoot at a short time scale. These states recombined with the formed O2 at a longer time scale which resulted in a current decrease after the overshoot. The second pathway was governed by transfer processes of H+ ions at the TiO2/Nafion interface and caused the observed current increase under illumination and positive relaxation in the dark, both at long time scales. A negative undershoot was observed when the reverse electrolysis reaction was preferred.
Artificial Micropatterns of Cells on Biocompatible Surfaces (1998)

Abstract The geometrically selective attachment of cells on surfaces is an on-going technological challenge. Biotechnological applications of man-made cellular micropatterns range from tissue engineering and wound healing to single-cell assays and biosensors for toxic compounds. Recently, silicon microfabrication techniques and advances in surface chemistry have allowed for selectively tailoring cellular adhesiveness on a micrometer scale [1–8]. Usually, a micropattern of a self-assembled monolayer (SAM) of organic molecules promotes or inhibits cell adhesion on certain areas of the substrate depending on the end functional group of the SAM. Unfortunately, the specialized SAM chemistries, e.g. functionalized alkylsiloxanes on silicon oxide or alkanethiols on gold, are not easily combined with most tissue culture or implantable (“biocompatible”) materials such as polymers or heteregeneous surfaces and, most importantly, can result in undesirable biointeraction [9].
Three dimensional nickel–graphene core–shell electrodes (2012)

The annealing of nickel-coated porous carbon structures results in a new three dimensional nanostructured graphene encapsulated nickel core–shell electrode. A highly interdependent and dynamic process is observed that results in the complete reversal of the spatial orientations of the two component system after the annealing process. We examine the mechanism of carbon diffusion and observe unexpected morphological changes of the nickel in response to carbon crystallization. The new nickel–graphene core–shell electrode demonstrates excellent electrochemical properties with promising applications in micro-batteries and biosensors.
The Effect of Oxygen Crossover on the Anode of a Li–O2 Battery using an Ether‐Based Solvent: Insights from Experimental and Computational Studies (2012)

Crosstown traffic: Further development of Li-O(2) batteries may eventually lead to their use in transportation applications. One problem that needs to be addressed is electrolyte decomposition, which has been partially mitigated by using ether- rather than carbonate-based solvents. The influence of oxygen crossover from the cathode to the anode on electrolyte, and lithium anode, decomposition in ether-based Li-O(2) batteries is investigated.
FAAH-Catalyzed C–C Bond Cleavage of a New Multitarget Analgesic Drug (2018)

The discovery of extended catalytic versatilities is of great importance in both the chemistry and biotechnology fields. Fatty acid amide hydrolase (FAAH) belongs to the amidase signature superfamily and is a major endocannabinoid inactivating enzyme using an atypical catalytic mechanism involving hydrolysis of amide and occasionally ester bonds. FAAH inhibitors are efficacious in experimental models of neuropathic pain, inflammation, and anxiety, among others. We report a new multitarget drug, AGN220653, containing a carboxyamide-4-oxazole moiety and endowed with efficacious analgesic and anti-inflammatory activities, which are partly due to its capability of achieving inhibition of FAAH, and subsequently increasing the tissue concentrations of the endocannabinoid anandamide. This inhibitor behaves as a noncompetitive, slowly reversible inhibitor. Autoradiography of purified FAAH incubated with AGN220653, opportunely radiolabeled, indicated covalent binding followed by fragmentation of the molecule. Molecular docking suggested a possible nucleophilic attack by FAAH-Ser241 on the carbonyl group of the carboxyamide-4-oxazole moiety, resulting in the cleavage of the C-C bond between the oxazole and the carboxyamide moieties, instead of either of the two available amide bonds. MRM-MS analyses only detected the Ser241-assisted formation of the carbamate intermediate, thus confirming the cleavage of the aforementioned C-C bond. Quantum mechanics calculations were fully consistent with this mechanism. The study exemplifies how FAAH structural features and mechanism of action may override the binding and reactivity propensities of substrates. This unpredicted mechanism could pave the way to the future development of a completely new class of amidase inhibitors, of potential use against pain, inflammation, and mood disorders.
The In Vivo Fate of APCs Displaying Minor H Antigen and/or MHC Differences Is Regulated by CTLs Specific for Immunodominant Class I-Associated Epitopes (1999)

The goal of this work was to evaluate the fate of APCs following interactions with T cells in unprimed mice with a normal T cell repertoire. We elaborated a model in which male adherent peritoneal mononuclear cells were injected into the foreleg footpads of naive female recipients mismatched for either minor or major histocompatibility Ags. At various times after injection, APC numbers in the draining (axillary and brachial) lymph nodes were assessed using a Ube1y gene-specific PCR assay. Our experimental model was designed so that the number of APCs expressing the priming epitope was similar to what is observed under real life conditions. Thus, early after injection, the frequency of afferent lymph-derived APCs expressing the priming epitope was in the range of 101-102/106 lymph node cells. We found that APCs presenting some, but not all, nonself epitopes were killed rapidly after entrance into the lymph nodes. Rapid elimination of APCs occurred following interactions with MHC class I-restricted, but not class II-restricted, T cells and was observed when APCs presented an immunodominant (B6dom1/H7a), but not a nondominant (HY), epitope. Killing of APCs was mediated partly, but not exclusively, by perforin-dependent process. We propose that killing of APCs by CTLs specific for immunodominant MHC class I-restricted epitopes may be instrumental in regulating the intensity, duration, and diversity of T cell responses.
Reduced complexity multiuser receivers for asynchronous trellis coded DS-CDMA systems (2002)

Previous works have shown that multiuser receivers with trellis-coded modulation significantly improve performance in CDMA transmissions over bandwidth limited AWGN channels. In Corral-Briones et al., a reduced-state multiuser receiver (RSMR) that jointly decodes the trellis code and equalizes the multiuser interference of the channel has been introduced. In this paper the performance of this reduced-state family is studied for a heavily loaded bandwidth limited communication system. Unlike the previous work we address the performance of RSMR in situations of practical interest such as in high bandwidth efficiency situations and in near-far situations. Simulation results show that performance near the trellis-coded single user bound is achieved with this scheme at a drastically reduced complexity compared with that of the optimal receiver. Moreover we analyze the near-far resistance of RSMR and other suboptimal schemes. Results show that RSMR significantly outperforms previously known suboptimal structures.
Convolutional Neural Network Analysis of Two-Dimensional Hyperfine Sublevel Correlation Electron Paramagnetic Resonance Spectra (2019)

A machine learning approach is presented for analyzing complex two-dimensional hyperfine sublevel correlation electron paramagnetic resonance (HYSCORE EPR) spectra with the proficiency of an expert spectroscopist. The computer vision algorithm requires no training on experimental data; rather, all of the spin physics required to interpret the spectra are learned from simulations alone. This approach is therefore applicable even when insufficient experimental data exist to train the algorithm. The neural network is demonstrated to be capable of utilizing the full information content of two-dimensional <sup>14</sup>N HYSCORE spectra to predict the magnetic coupling parameters and their underlying probability distributions that were previously inaccessible. The predicted hyperfine ( a, T) and <sup>14</sup>N quadrupole ( K, η) coupling constants deviate from the previous manual analyses of the experimental spectra on average by 0.11 MHz, 0.09 MHz, 0.19 MHz, and 0.09, respectively.
Substance P Receptor Antagonist Suppresses Inflammatory Cytokine Expression in Human Disc Cells (2015)

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ChemInform Abstract: Structure‐Based Design of β‐Lactamase Inhibitors. Part 1. Synthesis and Evaluation of Bridged Monobactams. (1999)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
The Impact of Binding Thermodynamics on Medicinal Chemistry Optimizations (2015)

Ligand binding thermodynamics has been attracted considerable interest in the past decade owing to the recognized relation between binding thermodynamic profile and the physicochemical and druglike properties of compounds. In this review, the relation between optimization strategies and ligand properties is presented based on the structural and thermodynamic analysis of ligand-protein complex formation. The control of the binding thermodynamic profile is beneficial for the balanced affinity and physicochemical properties of drug candidates, and early phase optimization gives more opportunity to this control.
A Comparative Study of Redox Mediators for Improved Performance of Li–Oxygen Batteries (2020)

Abstract Redox meditators (RMs) are soluble catalysts located in an electrolyte that can improve the energy efficiency (reduced overpotential) and cyclability of Li–oxygen (Li–O 2 ) batteries. In this work, 20 RMs within a Li–O 2 system with dimethyl sulfoxide and tetraethylene glycol dimethyl ether electrolytes are studied and their electrochemical features such as redox potential, the separation of cathodic and anodic peaks, and their current intensities are measured using cyclic voltammetry (CV) experiments. Six RMs are selected as “primary” choices based on their electrochemical performance, and stability tests are then performed to examine their electrochemical responses after consecutive cycles. Moreover, galvanostatic cycling tests are performed within a Li–O 2 battery system assembled with selected six RMs for real case consistency investigations. It is found that results from CV to galvanostatic cycling tests are consistent for halides and organometallic RMs, where the former exhibit much higher stability. However, the organic RMs show high reversibility in CV but low in battery cycling results. Density functional theory calculations are carried out to gain more understanding of the stability and redox potentials of the RMs. This study provides comparative information to select the most reliable RMs for Li–O 2 batteries along with new fundamental understanding of their electrochemical activity and stability.
Estimation of Surfactant Tail Transfer Free Energies from Polar Solvents to Micelle Core (1995)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTEstimation of Surfactant Tail Transfer Free Energies from Polar Solvents to Micelle CoreR. Nagarajan and Chien-Chung WangCite this: Langmuir 1995, 11, 12, 4673–4677Publication Date (Print):December 1, 1995Publication History Published online1 May 2002Published inissue 1 December 1995https://pubs.acs.org/doi/10.1021/la00012a016https://doi.org/10.1021/la00012a016research-articleACS PublicationsRequest reuse permissionsArticle Views176Altmetric-Citations24LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Flextensional electroacoustic transducer with hydrostatically compression-loaded driver (1990)

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Sub-microsecond response digital controller for POL (2014)

This paper will discuss about the proposed hard-ware logic type digital controller for on-board SMPS which has a very small time-delay in control loop. Some experimental has been done including estimation of the load current change experiment and the frequency characteristic of open loop transfer function. These result reveal the proposed circuit could be suppressed the time delay to sub-microsecond order. To use the multi-phase system reduces the output ripple.
High Gain Hexagonal Patch Antenna for V2V Communication (2020)

This paper proposes a hexagon patch antenna with six elliptical slots for V2V communication range as stated in IEEE 802.11p standard. The proposed geometry (Design I) is fabricated on FR-4 substrate and fed with the coaxial probe. The elliptical shape cuts are used to improve the directivity and gain. The measurement results are in good agreement with the simulation results. In Design II, the same circuit with defective ground structure has also been simulated, which further enhances the performance. The simulated results of design II show the gain of 6.021 dB and directivity of 9.443 dB in the band from 5.8 GHz to 6 GHz.
Advanced Mud Gas Logging in Combination With Wireline Formation Testing andGeochemical Fingerprinting for an Improved Understanding of ReservoirArchitecture (2007)

Understanding reservoir architecture is one of the critical factors in successful appraisal and development of any oil/gas field. Increasing drilling costs and environmental challenges has led to the development of alternative appraisal approaches that compliment the more costly and traditional methods such as the drill stem or production test. Therefore, the challenge of obtaining sufficient reservoir and fluid data from complex wells, in short time frames and at manageable costs, has pushed game changing improvements to both mud logging and wire line testing technologies.In the past, interpretation of wireline formation testing data (e.g., static pressure gradient analysis and downhole fluid analyses), PVT and geochemical fingerprinting have provided major inputs for reservoir modeling related to reservoir continuity. However, none of these tools or data sets provide hydrocarbon distributions or fingerprints during the drilling process of a given well; only after the well has reached final depth and LWD and e-logs have been obtained can one begin to speculate on such matters as reservoir continuity. Until recently, standard mud gas logging technologies did not offer the resolution and sensitivity necessary to provide quantitative hydrocarbon description. However, recent developments in advanced mud gas extractors and improved analytical detectors have increased the sensitivity, reliability and accuracy of mud gas fingerprinting. Thus, during the drilling of a given well, mud gas fluid fingerprints, or fluid facies, can be correlated within a given well and mapped to subsurface structural features such as faults and seals or different hydrocarbon bearing intervals. By providing this during the drilling process, anomalies observed in these fluid facies logs can be investigated in more detail during formation evaluation, sample collection, and geochemical fingerprinting techniques. In addition, by systematically combining and integrating these fundamentally different data streams, a much more robust picture of the reservoir fluid distribution becomes clear.
Highly Stretchable, Hysteresis-Free Ionic Liquid-Based Strain Sensor for Precise Human Motion Monitoring (2016)

A highly stretchable, low-cost strain sensor was successfully prepared using an extremely cost-effective ionic liquid of ethylene glycol/sodium chloride. The hysteresis performance of the ionic-liquid-based sensor was able to be improved by introducing a wavy-shaped fluidic channel diminishing the hysteresis by the viscoelastic relaxation of elastomers. From the simulations on visco-hyperelastic behavior of the elastomeric channel, we demonstrated that the wavy structure can offer lower energy dissipation compared to a flat structure under a given deformation. The resistance response of the ionic-liquid-based wavy (ILBW) sensor was fairly deterministic with no hysteresis, and it was well-matched to the theoretically estimated curves. The ILBW sensors exhibited a low degree of hysteresis (0.15% at 250%), low overshoot (1.7% at 150% strain), and outstanding durability (3000 cycles at 300% strain). The ILBW sensor has excellent potential for use in precise and quantitative strain detections in various areas, such as human motion monitoring, healthcare, virtual reality, and smart clothes.
Catalytic Asymmetric Friedel-Crafts Alkylation of β,γ-Unsaturated α-Ketoesters: Enantioselective Addition of Aromatic C−H Bonds to Alkenes (2001)

Useful catalytic BOXes: Chiral bisoxazoline (BOX)/Lewis acid complexes can catalyze highly enantioselective Friedel–Crafts alkylation reactions. The new reaction (see scheme) is successful with both aromatic and heteroaromatic compounds and with a wide range of β,γ-unsaturated α-ketoesters (R1 = alkyl, aryl, or a protected alcohol). Products are formed with up to >99 % ee.
Experimental Demonstration of Reduced Path-length Sensitivity in Coherent Beam Combining Architectures (2009)

Proper exploitation of spatial supermodes in Michelson type cavities reduces the sensitivity of coherent beam combining to path length variations. The resulting radiance improvement is experimentally demonstrated in a common path generalized Michelson cavity formed by polarization multiplexing the two gain arms into a common space.