gebhart/patrepeval huggingface dataset:
A moment-based effective characterization waveform for static timing analysis (2009)

Static timing analysis of VLSI circuits relies on tabular models of logic gates obtained during library characterization. At characterization time logic gates are simulated at the circuit level with a range of input waveforms (e.g., saturated ramps with different slews) and various output loads. At timing analysis time the same gates are driven by input waveforms that differ from the class of characterization waveforms. This paper proposes a method for mapping the waveforms that arise in static timing analysis to members of the class of waveforms used to characterize gate timing performance during library characterization. The method is based on the moments of the input waveform, which describe concisely the salient features of the waveform. The mapping between the input waveform and the effective characterization waveform is accomplished by positing functional relationships between the input waveform's moments and the parameters of the characterization waveform. The unknown coefficients of this functional relationship are determined by minimizing the worst case error of the output waveform over a representative set of input waveforms and gate loads. The technique requires no change to the library characterization procedure, and minimal change to the static timing tool with little to no additional computational burden on the timer.
Lithium Ion Battery Materials as Tunable, Redox Non-Innocent Catalyst Supports (2022)

The development of general strategies for the electronic tuning of a catalyst’s active site is an ongoing challenge in heterogeneous catalysis. To this end, herein we describe the application of Li-ion battery cathode and anode materials as redox non-innocent catalyst supports that can be continuously modulated as a function of lithium intercalation. A zero-valent nickel complex was oxidatively grafted onto the surface of lithium manganese oxide (LixMn2O4) to yield isolated Ni(II) occupying the vacant interstitial octahedral site in the Li diffusion channel on the surface and subsurface of the spinel structure (Ni/LixMn2O4). The activity of Ni/LixMn2O4 for olefin hydrogenation, as a representative probe reaction, was found to increase monotonically as a function of support reductive lithiation. Simulation of Ni/LixMn2O4 reveals the dramatic impact of surface redox states on the viability of the homolytic oxidative addition mechanism for H2 activation. Catalyst control through support lithiation was extended to an organotantalum complex on LixTiO2, demonstrating the generality of this phenomenon.
Activation and micropore structure determination of activated carbon-fiber composites (1997)

Rigid, high surface area activated carbon fiber composites have been produced with high permeabilities for environmental applications in gas and water purification. These novel monolithic adsorbents can be produced in single pieces to a given size and shape. The project involves a collaboration between the Oak Ridge National Laboratory (ORNL) and the Center for Applied Energy Research (CAER), University of Kentucky. The carbon fiber composites are produced at the ORNL and activated at the CAER using different methods, with the aims of producing a uniform degree of activation, and of closely controlling pore structure and adsorptive properties. The main focus of the present work has been to find a satisfactory means to uniformly activate large samples of carbon fiber composites and produce controlled pore structures. Several environmental applications have been explored for the activated carbon fiber composites. One of these was to evaluate the activated composites for the separation of CH{sub 4}-CO{sub 2} mixtures, and an apparatus was constructed specifically for this purpose. The composites were further evaluated in the cyclic recovery of volatile organics. The activated carbon fiber composites have also been tested for possible water treatment applications by studying the adsorption of sodium pentachlorophenolate, PCP.
Bis(Naphthalene Imide)diphenylanthrazolines: A New Class of Electron Acceptors for Efficient Nonfullerene Organic Solar Cells and Applicable to Multiple Donor Polymers (2015)

Unlike universally applicable fullerene derivatives, current nonfullerene electron acceptors are rarely effective with more than one donor polymer in bulk heterojunction (BHJ) solar cells. A novel class of nonfullerene electron acceptors, bis(naphthalene imide)‐3,6‐diphenyl‐ trans‐ anthrazolines (BNIDPAs), that is applicable and yields efficient photovoltaic devices with multiple donor polymers, including a thiazolothiazole–dithienosilole copolymer (PSEHTT) and benzodithiophene copolymers (PBDTT‐FTTE and PTB7) is reported. Photovoltaic devices composed of the BNIDPA‐butyloctyl (BO) acceptor with PSEHTT, PBDTT‐FTTE, and PTB7, respectively, have power conversion efficiencies of 3.0%–3.1% with high open‐circuit voltages of ≈1.0 V. In contrast, BHJ devices composed of BNIDPA‐DT acceptor with larger 2‐decyltetradecyl chains and the same donor polymers have substantially reduced bulk electron mobility and reduced photovoltaic efficiencies of 1.3%–1.7%, which highlight the critical role of the size of alkyl chains appended onto nonfullerene electron acceptors. The present results provide a rare example of nonfullerene electron acceptors that are capable of pairing with multiple donor polymers to achieve efficient BHJ solar cells.
The catalytic oxidative coupling of methane: I. Comparison of experimental performance data from various types of reactor (1995)

Abstract The methane oxidative coupling performance of a fixed‐bed reactor was successfully translated to a bubbling fluidised‐bed reactor and this reaction mode was superior to spouted‐bed, inclined and mechanically‐agitated fluidised‐bed units. Also, a two‐stage bubbling fluidised‐bed reactor with inter‐stage addition of oxygen had the same performance as the single‐stage unit, for the same total oxygen input, over a wide range of operating conditions. Overall the bubbling fluidised‐bed is preferred, catalytic reactions dominate over non‐catalytic gas phase reactions in determining the reactor performance, the gas phase exhibited plug‐flow behaviour and the performance was independent of the gas phase oxygen partial pressure for a given oxygen input. The best hydrocarbon yield achieved in this study was 19.4%.
Shape Tracking of a Dexterous Continuum Manipulator Utilizing Two Large Deflection Shape Sensors (2015)

Dexterous continuum manipulators (DCMs) can largely increase the reachable region and steerability for minimally and less invasive surgery. Many such procedures require the DCM to be capable of producing large deflections. The real-time control of the DCM shape requires sensors that accurately detect and report large deflections. We propose a novel, large deflection, shape sensor to track the shape of a 35 mm DCM designed for a less invasive treatment of osteolysis. Two shape sensors, each with three fiber Bragg grating sensing nodes is embedded within the DCM, and the sensors' distal ends fixed to the DCM. The DCM centerline is computed using the centerlines of each sensor curve. An experimental platform was built and different groups of experiments were carried out, including free bending and three cases of bending with obstacles. For each experiment, the DCM drive cable was pulled with a precise linear slide stage, the DCM centerline was calculated, and a 2D camera image was captured for verification. The reconstructed shape created with the shape sensors is compared with the ground truth generated by executing a 2D-3D registration between the camera image and 3D DCM model. Results show that the distal tip tracking accuracy is 0.40 ± 0.30 mm for the free bending and 0.61 ± 0.15 mm, 0.93 ± 0.05 mm and 0.23 ± 0.10 mm for three cases of bending with obstacles. The data suggest FBG arrays can accurately characterize the shape of large-deflection DCMs.
Enabling technologies for robot assisted ultrasound tomography (2016)

Currently available ultrasound (US) tomography systems suggest utilizing cylindrical transducers that can be used for a specific organ. In this paper, our focus is on an alternative way of creating US tomographic images that could be used for other anatomies and more general applications. This system consists of two conventional US probes facing each other while one or several of the transducers in one probe can act as the transmitter and the rest as the receiver. Aligning the two US probes is a challenging task. To address this issue, we propose a robot assisted US tomography system in which one probe is operated freehanded and another by a robotic arm. In this paper, enabling technologies for this system are described. With the current prototype, a reconstruction precision of 4.12, 1.73, and 2.23 mm for the three calibrations, and an overall alignment repeatability in the range of 5-9 mm were achieved. Copyright © 2016 John Wiley & Sons, Ltd.
Parkin Plays a Role in Sporadic Parkinson's Disease (2013)

Strategies aimed at maintaining parkin in a catalytically active state or interfering with the toxicity of AIMP2 and PARIS (ZNF746) offer new therapeutic opportunities.
Advances in Hollow Core Fiber for the 1μm and Visible Wavelength Regions (2020)

We report advances in Nested Antiresonant Nodeless hollow-core Fiber (NANF) operating in the visible and 1µm wavelength regions achieving record low optical losses of 2.8dB/km and 1.23dB/km at 650nm and 1070nm, respectively at these wavelengths.
Isolation of Inositol 1,4,5-Trisphosphate Receptor-Associating Proteins and Selective Knockdown Using RNA Interference (2010)

Inositol 1,4,5-trisphosphate (IP(3)) receptors (IP(3)Rs) are IP(3)-gated Ca(2+) release channels localized on intracellular Ca(2+) stores and play a role in the generation of complex patterns of intracellular Ca(2+) signals. We show herein experimental protocols for the identification of associating proteins of IP(3)R isoforms from various cells and tissues using affinity column chromatography and for the specific knockdown of the expression of IP(3)R isoforms and their associating proteins using RNA interference. These methods will provide clues to understand the exact nature of how the signaling complex contributes to the generation of spatio-temporal patterns of intracellular Ca(2+) signals.
Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines:  Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9<sup>1</sup> (2006)

X-ray crystal structures of several 6-(azolyl)purine base and nucleoside derivatives show essentially coplanar conformations of the purine and appended 6-(azolyl) rings. However, the planes of the purine and imidazole rings are twisted approximately 57 degrees in a 2-chloro-6-(4,5-diphenylimidazol-1-yl)purine nucleoside, and a twist angle of approximately 61 degrees was measured between the planes of the purine and pyrrole rings in the structure of a 6-(2,5-dimethylpyrrol-1-yl)purine nucleoside derivative. Shielding "above" N7 of the purine ring by a proximal C-H on the 6-azolyl moiety is apparent with the coplanar compounds, but this effect is diminished in those without coplanarity. Syntheses of 6-(azolyl)purines from both base and nucleoside starting materials are described. Treatment of 2,6-dichloropurine with imidazole gave 2-chloro-6-(imidazol-1-yl)purine. Modified Appel reactions at C6 of trityl-protected hypoxanthine and guanine derivatives followed by detritylation gave 6-(imidazol-1-yl)- and 2-amino-6-(imidazol-1-yl)purines. Imidazole was introduced at C6 of 2',3',5'-tri-O-acetylinosine by a modified Appel reaction, and solvolysis of the glycosyl linkage gave 6-(imidazol-1-yl)purine. Guanosine triacetate was transformed into the protected 2,6-dichloropurine nucleoside, which was subjected to S(N)Ar displacement with imidazoles at C6 followed by glycosyl solvolysis to provide 2-chloro-6-(substituted-imidazol-1-yl)purines. Potential applications of these purine derivatives are outlined.
Theory of terahertz electric oscillations by supercooled superconductors (2005)

We predict that below T_c a regime of negative differential conductivity (NDC) can be reached. The superconductor should be supercooled to T<T_c in the normal phase under DC voltage. In such a nonequilibrium situation the NDC of the superconductor is created by the excess conductivity of the fluctuation Cooper pairs. We propose NDC of supercooled superconductors to be used as an active medium for generation of electric oscillations. Such generators can be used in the superconducting electronics as a new type THz source of radiation. Oscillations can be modulated by the change of the bias voltage, electrostatic doping by a gate electrode when the superconductor is the channel of a field effect transistor, or by light. When small amplitude oscillations are stabilized near the critical temperature T_c the generator can be used as a bolometer. The essential for the applications NDC is predicted by the solution of the Boltzmann kinetic equation for the metastable in the normal phase Cooper pairs. Boltzmann equation for fluctuation Cooper pairs is a result of state-of-the-art application of the microscopic theory of superconductivity. Our theoretical conclusions are based on some approximations like time dependent Ginzburg-Landau theory, but nevertheless can reliably predict appearance of NDC. The maximal frequency at which superconductors can operate as generators is determined by the critical temperature \hbar omega_max ~ k_B T_c. For high-T_c superconductors this maximal frequency falls well inside the terahertz range. Technical conditions to avoid nucleation of the superconducting phase are briefly discussed. We suggest that nanostructured high-T_c superconductors patterned in a single chip can give the best technical performance of the proposed oscillator.
Large Magnetoresistance at Room Temperature in Ferromagnetic Thin Film Tunnel Junctions (1995)

Ferromagnetic-insulator-ferromagnetic tunneling has been measured in CoFe $/$A${\mathrm{l}}_{2}$${\mathrm{O}}_{3}$ $/$Co or NiFe junctions. At 295, 77, and 4.2 K the fractional change in junction resistance with magnetic field, $\ensuremath{\Delta}R/R$, is 11.8%, 20%, and 24%, respectively. The value at 4.2 K is consistent with Julliere's model based on the spin polarization of the conduction electrons of the magnetic films. $\ensuremath{\Delta}R/R$ changes little with a small voltage bias, whereas it decreases significantly at higher bias $(>0.1\mathrm{V})$, in qualitative agreement with Slonczewski's model. These junctions have potential use as low-power field sensors and memory elements.
Reliability of GaN-based vertical light-emitting diodes on metal alloy substrate for solid state lighting application (2006)

In this paper we describe GaN based Vertical Light Emitting diode on Metal Alloy Substrate (VLEDMS) as a disruptive technology to solve the heat dissipation and current-crowding effect for the power device operated at high current. We focus on reliability features of VLEDMS under various operation regimes required for solid state lighting (SSL) application.
Waste treatment advances: lime treatment and ammonia recovery of liquid waste (1976)

In the conversion of UF/sub 6/ to UO/sub 2/ by the ammonium diuranate process, a primary waste stream is nonradioactive ammonium fluoride in aqueous solution with excess free ammonia. To overcome the problems generated by the poor settling qualities of the liquid effluent and the difficulty in controlling its pH, two design revisions were made in the waste processing. The first was replacement of the settler-filter system with a large settling lagoon to assure proper solids separation. The second revision was the installation of a combined lime treatment with ammonia recovery by distillation and steam stripping. (JSR)
Density Functional Theory Study on the Electronic Structures of Oxadiazole Based Dyes as Photosensitizer for Dye Sensitized Solar Cells (2015)

The molecular structures and UV-visible absorption spectra of complex photosensitizers comprising oxadiazole isomers as the π -bridges were analyzed by density functional theory (DFT) and time-dependent DFT. The ground state and excited state oxidation potentials, HOMOs and LUMOs energy levels, and electron injection from the dyes to semiconductor TiO 2 have been computed in vacuum here. The results show that all of the dyes may potentially be good photosensitizers in DSSC. To justify the simulation basis, N3 dye was also simulated under the similar conditions. Simulated absorption spectrum, HOMO, LUMO, and band gap values of N3 were compared with the experimental values. We also computed the electronic structure properties and absorption spectra of dye/(TiO 2 ) 8 systems to elucidate the electron injection efficiency at the interface. This work is expected to give proper orientation for experimental synthesis.
A Novel, Species-specific Class of Uncompetitive Inhibitors of γ-Glutamyl Transpeptidase (2009)

Expression of gamma-glutamyl transpeptidase (GGT) in tumors contributes to resistance to radiation and chemotherapy. GGT is inhibited by glutamine analogues that compete with the substrate for the gamma-glutamyl binding site. However, the glutamine analogues that have been evaluated in clinical trials are too toxic for use in humans. We have used high throughput screening to evaluate small molecules for their ability to inhibit GGT and have identified a novel class of inhibitors that are not glutamine analogues. These compounds are uncompetitive inhibitors, binding the gamma-glutamyl enzyme complex. OU749, the lead compound, has an intrinsic K(i) of 17.6 microm. It is a competitive inhibitor of the acceptor glycyl-glycine, which indicates that OU749 occupies the acceptor site while binding to the gamma-glutamyl substrate complex. OU749 is more than 150-fold less toxic than the GGT inhibitor acivicin toward dividing cells. Inhibition of GGT by OU749 is species-specific, inhibiting GGT isolated from human kidney with 7-10-fold greater potency than GGT isolated from rat or mouse kidney. OU749 does not inhibit GGT from pig cells. Human GGT expressed in mouse fibroblasts is inhibited by OU749 similarly to GGT from human cells, which indicates that the species specificity is determined by differences in the primary structure of the protein rather than species-specific, post-translational modifications. These studies have identified a novel class of inhibitors of GGT, providing the basis for further development of a new group of therapeutics that inhibit GGT by a mechanism distinct from the toxic glutamine analogues.
Alterations in Antibody Subclass Immune Reactivity to Trophoblast‐derived Fetal Fibronectin and α2‐Macroglobulin in Women with Recurrent Pregnancy Loss (2012)

IgG(3) reactivity in women with RPL may play a significant role in aberrant immune-regulatory mechanisms in early pregnancy. Further investigations into the role of autoantibodies against trophoblast-derived proteins in implantation and pregnancy are warranted.
Nipah Virus Envelope-Pseudotyped Lentiviruses Efficiently Target ephrinB2-Positive Stem Cell Populations <i>In Vitro</i> and Bypass the Liver Sink When Administered <i>In Vivo</i> (2012)

Sophisticated retargeting systems for lentiviral vectors have been developed in recent years. Most seek to suppress the viral envelope's natural tropism while modifying the receptor-binding domain such that its tropism is determined by the specificity of the engineered ligand-binding motif. Here we took advantage of the natural tropism of Nipah virus (NiV), whose attachment envelope glycoprotein has picomolar affinity for ephrinB2, a molecule proposed as a molecular marker of "stemness" (present on embryonic, hematopoietic, and neural stem cells) as well as being implicated in tumorigenesis of specific cancers. NiV entry requires both the fusion (F) and attachment (G) glycoproteins. Truncation of the NiV-F cytoplasmic tail (T5F) alone, combined with full-length NiV-G, resulted in optimal titers of NiV-pseudotyped particles (NiVpp) (∼10(6) IU/ml), even without ultracentrifugation. To further enhance the infectivity of NiVpp, we engineered a hyperfusogenic NiV-F protein lacking an N-linked glycosylation site (T5FΔN3). T5FΔN3/wt G particles exhibited enhanced infectivity on less permissive cell lines and efficiently targeted ephrinB2(+) cells even in a 1,000-fold excess of ephrinB2-negative cells, all without any loss of specificity, as entry was abrogated by soluble ephrinB2. NiVpp also transduced human embryonic, hematopoietic, and neural stem cell populations in an ephrinB2-dependent manner. Finally, intravenous administration of the luciferase reporter NiVpp-T5FΔN3/G to mice resulted in signals being detected in the spleen and lung but not in the liver. Bypassing the liver sink is a critical barrier for targeted gene therapy. The extraordinary specificity of NiV-G for ephrinB2 holds promise for targeting specific ephrinB2(+) populations in vivo or in vitro.
Abstract 5182: A rapid <i>in vivo</i> screen for pancreatic ductal adenocarcinoma therapeutics using the tumor marker Rgs16::GFP (2016)

Abstract Pancreatic Ductal Adenocarcinoma (PDA) is the most lethal major cancer in the USA due to lack of early diagnostics and effective treatments. Activating Kras mutations (such as KrasG12D) occur early in tumor progression and are present in about 90% of PDA. Pancreatic Intraepithelial Neoplasms (PanIN) are the most common initial neoplastic lesions and those with activating Kras alleles typically progress to carcinoma in situ and metastasize. Receptor Tyrosine Kinases (RTK) and G-protein Coupled Receptors (GPCR) can indirectly activate Kras and are therefore potential drug targets. We previously showed that a feedback inhibitor of GPCRs, Regulator of G-protein Signaling 16 (Rgs16), is expressed in pancreatic progenitors during embryonic development. Rgs16 expression continues postnatally in ducts and beta cells during isletogenesis but is absent in normal glycemic adults. On the other hand, Rgs16 expression returns to ducts and islet beta cells after chronic hyperglycemia in mouse models of Type 1 and Type 2 Diabetes mellitus. Our hypothesis is that Rgs16::GFP is induced in these pancreatic cells in response to GPCR agonists released during chronic stress. In an effort to conduct drug screens in primary duct cell culture, we investigated Rgs16::GFP expression in pancreatic neoplasia by crossing it into a mouse model of aggressive PDA, called KIC (KrasG12D; Cdkn2aL/L; Ptf1a::Cre). In Rgs16::GFP-KIC mice, Rgs16 was expressed at the initiation of PDA in early PanINs, as early as two weeks after birth (P15), and throughout tumor progression. Rgs16::GFP expression increased with tumor mass through one month of age (P29). We used this tumor specific characteristic of Rgs16 expression to set-up a two-week in vivo quantitative assay to test chemotherapeutic drug effectiveness. In a proof-of-principle study, the standard PDA therapeutics gemcitabine and nab-Paclitaxel reduced Rgs16::GFP expression and tumor burden compared to untreated mice at P29. Targeting Axl, an RTK highly expressed in PDA, with two different inhibitors of Axl signaling, BGB324 or warfarin, in combination with gemcitabine and nab-Paclitaxel further reduced PDA initiation and progression compared to standard chemotherapy alone. Survival studies with Rgs16::GFP-KIC mice showed that treatment with gemcitabine and warfarin extended median life span about two weeks while nearly doubling the maximum life span compared to untreated group. In summary, Rgs16::GFP-KIC mice provide an in vivo model to rapidly identify more effective PDA chemotherapeutics and treatment protocols. Citation Format: Ozhan Ocal, Victor Pashkov, Rahul K. Kollipara, James B. Lorens, Galvin H. Swift, Rolf A. Brekken, Thomas M. Wilkie. A rapid in vivo screen for pancreatic ductal adenocarcinoma therapeutics using the tumor marker Rgs16::GFP. [abstract]. In: Proceedings of the 107th Annual Meeting of the American Association for Cancer Research; 2016 Apr 16-20; New Orleans, LA. Philadelphia (PA): AACR; Cancer Res 2016;76(14 Suppl):Abstract nr 5182.