gebhart/patrepeval huggingface dataset:
Formation of (R)-8-hydroxywarfarin in human liver microsomes. A new metabolic marker for the (S)-mephenytoin hydroxylase, P4502C19. (1996)

Kinetic studies demonstrate that two forms of human liver cytochrome P450 are responsible for the formation of (R)-8-hydroxywarfarin: a low-affinity enzyme (KM approximately 1.5 mM), previously identified as P4501A2; and a high-affinity enzyme (KM = 330 microM), now identified as P4502C19 on the basis of the following evidence. In crossover inhibition studies with P4501A2-depleted human liver microsomes between (R)-warfarin and (S)-mephenytoin, reciprocal competitive inhibition was observed. Apparent KM values for (S)-mephenytoin-4'-hydroxylation (52-67 microM) were similar to the determined Ki values (58-62 microM) for (S)-mephenytoin inhibition of (R)-8-hydroxywarfarin formation. Similarly, the apparent KM for (R)-warfarin 8-hydroxylation in furafylline-pretreated microsomes (KM = 289-395 microM) was comparable with the Ki values (280-360 microM) for (R)-warfarin inhibition of (S)-4'-hydroxymephenytoin formation. Inhibition studies with tranylcypromine, a known inhibitor of (S)-mephenytoin hydroxylase activity, and either substrate in three different microsomal preparations yielded nearly identical inhibitory constants: Ki = 8.7 +/- 1.6 microM for inhibition of (S)-4'-hydroxymephenytoin formation and 8.8 +/- 2.5 microM for inhibition of (R)-8-hydroxywarfarin formation. In addition, fluconazole, a potent inhibitor of (R)-warfarin 8-hydroxylation, Ki = 2 microM, was found to inhibit (S)-mephenytoin hydroxylation with an identical Ki (2 microM). Finally, a strong correlation between (S)-mephenytoin 4-hydroxylation and (R)-warfarin 8-hydroxylation activities in furafylline-pretreated microsomes was demonstrated in 14 human liver microsomal preparations (r2 = 0.97).
ChemInform Abstract: CHEMISTRY OF KETENE ACETALS. PART III. ZINC CHLORIDE‐CATALYZED CYCLOADDITIONS S BETWEEN KETENE ACETALS AND α,β‐UNSATURATED CARBONYL COMPOUNDS. A SIMPLE ROUTE TO 2,2‐DIALKOXY‐3,4‐DIHYDROPYRANS (1981)

Abstract Die Kondensation von Ketenacetalen, wie (II), mit ogß‐ungesättigten Carbonylverbindungen, wie (II), in Gegenwart von ZnCl 2 in Acetonitril führt bei 60‐80°C zu Dihydropyranen, wie z.B. (III), bei ‐20°C dagegen zu Oxetanen, wie (IV), und in bestimmten Fällen zu Cyclobutanderivaten, wie (V).
Multi-omics “upstream analysis” of regulatory genomic regions helps identifying targets against methotrexate resistance of colon cancer (2016)

We present an "upstream analysis" strategy for causal analysis of multiple "-omics" data. It analyzes promoters using the TRANSFAC database, combines it with an analysis of the upstream signal transduction pathways and identifies master regulators as potential drug targets for a pathological process. We applied this approach to a complex multi-omics data set that contains transcriptomics, proteomics and epigenomics data. We identified the following potential drug targets against induced resistance of cancer cells towards chemotherapy by methotrexate (MTX): TGFalpha, IGFBP7, alpha9-integrin, and the following chemical compounds: zardaverine and divalproex as well as human metabolites such as nicotinamide N-oxide.
Functional Trade-offs in the Mechanical Design of Integrated Products - Impact on Robustness and Optimisability (2019)

Abstract It is generally accepted in industry and academia that trade-offs between functional design objectives are an inevitable factor in the development of mechanical systems. These trade-offs can have a large influence on the achievable robustness and performance of the final design, with many products only functioning in narrow sweet-spots between different objectives. As a result, the design process of multi- functional products can be prolonged when designers concurrently attempt to find sweet-spots between a number of potentially interdependent trade-offs. This paper will show that designers only have six different approaches available when attempting to manage a trade-off while trying to ensure robustness and a sufficient performance. These fall within one of three categories; accept, optimise, or redesign. Selecting the wrong approach, can result in consequences downstream which can be difficult to predict, amongst others a lack of robustness to geometric variation, constrained performance, and long development lead time. This points to a substantial potential in the synthesis of design methods that support the identification and management of trade-offs in early product development.
Natural history of arteriovenous malformations and indications for treatment (2014)

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Apparent Diffusion Constant and Electrochemical Reaction in LiFe[sub 1−x]Mn[sub x]PO[sub 4] Olivine Cathodes (2007)

Olivine compounds were prepared by solid-state reaction and their properties of electrochemical redox reaction were studied. The substitution strongly affected the electrochemical properties, such as initial capacity, capacity fading, and polarization. From the relationship between the redox peak current and the sweeping rate in the cyclic voltammetry, the apparent diffusion constants were numerically evaluated. They increased monotonically with the substitution and were always larger in the charging (delithiation) process than that in the discharging (lithiation) process. Additionally, the open-circuit voltage profiles in the beginning of the charge–discharge process were modified with substitution; the profile was changed from a flat voltage vs the reaction degree to a sloped profile, and the sloped region became wider as the substitution degree was increased. This implied that one-phase reaction, rather than the expected two-phase reaction, was attained and expanded with the substitution. It was found that there existed a relationship between the apparent diffusion constant and the one-phase reaction width; the apparent diffusion constant was enhanced with an increase in the one-phase reaction width.
UTag: Long-range Ultra-wideband Passive Radio Frequency Tags (2007)

Long-range, ultra-wideband (UWB), passive radio frequency (RF) tags are key components in Radio Frequency IDentification (RFID) system that will revolutionize inventory control and tracking applications. Unlike conventional, battery-operated (active) RFID tags, LLNL's small UWB tags, called 'UTag', operate at long range (up to 20 meters) in harsh, cluttered environments. Because they are battery-less (that is, passive), they have practically infinite lifetimes without human intervention, and they are lower in cost to manufacture and maintain than active RFID tags. These robust, energy-efficient passive tags are remotely powered by UWB radio signals, which are much more difficult to detect, intercept, and jam than conventional narrowband frequencies. The features of long range, battery-less, and low cost give UTag significant advantage over other existing RFID tags.
Size consistency of tensor network methods for quantum many-body systems (2013)

Recently developed tensor network methods demonstrate great potential for addressing the quantum many-body problem, by constructing variational spaces with polynomially, instead of exponentially, scaled parameters. Constructing such an efficient tensor network, and thus the variational space, is a subtle problem and the main obstacle of the method. We demonstrate the necessity of size consistency in tensor network methods for their success in addressing the quantum many-body problem. We further demonstrate that size consistency is independent of the entanglement criterion, thus providing a general and tight constraint to construct the tensor network method. We propose a general and easy rule to construct a size-consistent tensor network.
Summary Abstract: Localization of superlattice electronic states and complex bulk band structures (1980)

Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Twitter Facebook Reddit LinkedIn Tools Icon Tools Reprints and Permissions Cite Icon Cite Search Site Citation J. N. Schulman, T. C. McGill; Summary Abstract: Localization of superlattice electronic states and complex bulk band structures. Journal of Vacuum Science and Technology 1 September 1980; 17 (5): 1118–1119. https://doi.org/10.1116/1.570625 Download citation file: Ris (Zotero) Reference Manager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search Search Dropdown Menu toolbar search search input Search input auto suggest filter your search All ContentAVS: Science & Technology of Materials Interfaces and ProcessingJournal of Vacuum Science and Technology Search Advanced Search |Citation Search
D225 Flow Visualization of Sub-Milli-Scale Gas Mixing Process by Spark Tracing (2011)

The spark tracing which is measurement method that doesn't need particle tracer was used to obtain the time line images of gas mixing process in sub-milli-scale. The parameter changed in this research was the flow rate (Re = 65, 135) and temperature of gas (298, 318, 343[K]). This measurement can change the resolution time by changing the interval time of the added pulse voltage, and we archived it to 0.1ms. Firstly, the relationship of spark width and the velocity was searched for, and velocity was calibrated, we succeeded in measuring velocity by spark tracing. From visualization picture, it was shown clearly that flow velocity becomes high near channel exit and by high Reynolds number. Moreover, this measurement was possible to measure flow velocity without calibration even if the temperature of operation fluid changed.
Supplementary Figure 1 from The Pivotal Role of Integrin β1 in Metastasis of Head and Neck Squamous Cell Carcinoma (2023)

&lt;p&gt;PDF file, 346K, DFS and OS analysis between patients with and without metastasis.&lt;/p&gt;
Angus bulls voluntarily access shade during hot weather, reducing scrotal subcutaneous temperatures and improving sperm quality (2023)

The objective of this study was to determine the relationship of bull location (shade versus no shade), scrotal subcutaneous and ambient temperatures, and sperm quality. Six Angus bulls (4 to 5 y) were randomly allocated into 2 groups of 3 bulls each, housed in 2 outdoor pens, with 1 containing a shed (~3.5 × 6 m and 2.5 m high, 1 open side) to provide shade. Semen was collected by electroejaculation once weekly for 9 wk. The percentage of time a bull voluntarily accessed shade for ≥ 15 min (observed with a game camera) increased with the ambient temperature and ranged from 7.6% to 86.7% for ambient temperatures of < 25°C and > 33°C, respectively. During the 10 hottest days, scrotal subcutaneous temperature (measured hourly with an implanted data logger) in the bulls without access to shade (control group) was directly associated with ambient temperature. Conversely, bulls with access to shade had lower (P = 0.001) scrotal subcutaneous temperatures during high ambient temperatures, particularly when they accessed shade. During the 4 hottest days, these bulls voluntarily accessed shade most of the time from 12:00 noon to 5:00 p.m. (peak ambient temperatures). For total sperm morphological abnormalities and acrosome integrity, there were group effects (P = 0.001 for each), plus a time effect for acrosome integrity (P = 0.009). For total and progressive forward sperm motility, there were group effects (P = 0.001 and 0.023, respectively). For sperm motility kinetics, which were measured with computer-assisted sperm analysis (CASA), [average path velocity (VAP), curvilinear velocity (VCL), straight line velocity (VSL), straightness of track (STR), and linearity of track (LIN)], there were also group effects (P = 0.005, 0.011, 0.010, 0.020, and 0.046, respectively). In summary, during hot weather, bulls voluntarily accessed shade, which significantly lowered scrotal subcutaneous temperatures and improved sperm quality.
Development of a 10 MW, 91 GHz gyroklystron for accelerator applications (2001)

A 10 MW, 91 GHz gyroklystron is under development for W-Band accelerator applications. The device will generate 1.5 microsecond pulses at 120 Hz and will be provided to Stanford Linear Accelerator Center for testing of W-Band accelerator components and subsystems. A magnetron injection gun operating at 500 kV will provide a 55 amp beam for interaction in a 5 cavity circuit. The output will be in a hybrid TE01/TE02 mode that can be converted to a more suitable mode at the accelerator. The device is expected to operate with efficiency close to 40% with a gain of 55 dB. A depressed collector will be implemented to allow improvement in the total efficiency to more than 50%.
A practical system for real-time on-plant flotation froth visual parameter extraction (1999)

In plants where froth flotation is utilised to extract minerals from mined ore, the visual interpretation of the froth surface can be used to optimise the flotation process, thus yielding a more efficient extraction. We present a computer-based system that is able to extract a wide range of online static and dynamic visual parameters from the froth surface. The system has been installed in several refineries and performs well in both laboratory and industrial environments.
Entangled light in moving frames (2003)

We calculate the entanglement between a pair of polarization-entangled photon beams as a function of the reference frame. We show that a Lorentz transformation on a momentum-helicity eigenstate produces a momentum-dependent phase. This phase leads to changes in the reduced polarization density matrix, such that entanglement is not Lorentz invariant.
Less Initial Rejoining of X-Ray-Induced DNA Double-Strand Breaks in Cells of a Small Cell (U-1285) Compared to a Large Cell (U-1810) Lung Carcinoma Cell Line (1994)

Cells of a small cell lung carcinoma cell line, U-1285, and an undifferentiated large cell lung carcinoma cell line, U-1810, differ in radiosensitivity in parallel to the clinical radiosensitivity of the kind of tumors from which they are derived. The surviving fraction at 2 Gy (SF2) was 0.25 that of U-1285 cells and 0.88 that of U-1810 cells. We investigated the induction of DNA double-strand breaks (DSBs) by X rays and DSB rejoining in these cell lines. To estimate the number of DSBs we used a model adapted for pulsed-field gel electrophoresis (PFGE). The induction levels were of the same magnitude (0.46 and 0.51 DSB/100 Mbp/Gy for U-1810 and U-1285 cells, respectively). These levels of induction do not correlate with radiosensitivity as measured by cell survival assays. Rejoining of DSBs after doses in the range of 0-50 Gy was followed for 0, 15, 30, 60 and 120 min. We found a difference in the velocity of repair during the first hour after irradiation which is parallel to the differences in radiosensitivity. Thus U-1810 cells exhibit a fast component of repair, with about half of the DSBs being rejoined during the first 15 min, whereas U-1285 cells lack such a fast component, with only about 5% of the DSBs being rejoined after the same time. In addition there was a numerical albeit not statistical difference at 120 min, with more residual DSBs in the U-1285 cells compared to the U-1810 cells.
Immnunological Control of <i>Trypanosoma cruzi</i> Infection and Pathogenesis of Chagas’ Disease (1997)

The major goal of studies on immunity to Trypanosoma cruzi is the understanding of immunological mechanisms involved in resistance to this protozoan as well as the pathogenesis of Chagas' disease. Different studies have defined CD8+ T lymphocytes, IFN-gamma and macrophages as important elements controlling parasite replication during the acute phase of infection. In contrast, during the chronic stage of the disease parasite-specific antibodies that fix complement and lyse the blood from trypomastigotes are thought to be the main effector molecules responsible for maintaining latent infection. In both acute and chronic infection with T. cruzi CD4+ Th1 lymphocytes appear to be the main cells responsible for induction of protective immunity. The immunological mechanisms involved in the pathogenesis of Chagas' disease are much more controversial. CD8+ lymphocytes are thought to be the main effector cells responsible for cardiac tissue destruction. Although many experiments suggest the involvement of autoimmunity in the pathogenesis of Chagas' disease, recent studies both in mice and humans indicate a positive association of tissue parasitism, inflammation and severity of pathology induced by T. cruzi. Finally, T. cruzi has emerged as an important opportunistic pathogen in patients infected with HIV and presenting low numbers of CD4+ T lymphocytes. These clinical findings indicate the essential requirement of CD4+ T-helper cells in mediating resistance during chronic Chagas' disease; however, the effector mechanisms that control the reactivation of chronic infection in vivo are not completely defined.
Kohlenhydratsutstituierte Triarylphosphane — eine neue Klasse von Liganden für die Zweiphasenkatalyse (1997)

Zweiphasenkatalysatoren mit zuckersubstituierten Liganden , wie den Glycosid‐Triarylphosphanen 1a‐c , weisen bei Heck‐ und Suzuki‐Reaktionen Vorteile gegenüber Katalysatoren mit dem klassischen TPPTS‐Liganden auf. Für diese neue Klasse von neutralen, hydrophilen Liganden wurde eine einfache und allgemein anwendbare Synthese entwickelt. Durch thermoreversible Solvatation wird die Konzentration des Zweiphasenkatalysators im unpolaren Medium mit steigender Temperatur erhöht, wie durch Ermittlung des Nernstschen Verteilungskoeffizienten für einen der neuen Liganden bei verschiedenen Temperaturen deutlich wurde. magnified image
Correction: The Hong–Ou–Mandel experiment: from photon indistinguishability to continuous-variable quantum computing (2022)

International audience
Self-Diffusion Studies of Water and Poly(ethylene glycol) in Solutions and Gels of Selected Hydrophilic Polymers (1999)

To test the effect of the matrix polymer on diffusion, we have measured the self-diffusion coefficients of water and poly(ethylene glycol) of a molecular weight of 600 (PEG-600) in aqueous systems of selected polymers using the pulsed-gradient spin-echo NMR technique. The polymers used in this study include poly(vinyl alcohol) (PVA), hydroxypropyl methyl cellulose (HPMC), poly(N,N-diethylacrylamide) (PNNDEA), and poly(N-isopropylacrylamide) (PNIPA). The polymer concentrations varied from 0 to 0.38 g/mL. The effect of the polymer network on the self-diffusion coefficients of the solvent (water) and a solute (PEG-600) was investigated by analyzing the diffusion data with the use of the free volume model of Yasuda et al. [Yasuda, H.; Lamaze, C. E.; Ikenberry, L. D. Makromol. Chem. 1968, 118, 19], the diffusion model proposed by Phillies [Phillies, G. D. J. Macromolecules 1986, 19, 2367], and the model of Petit et al. [Petit, J.-M.; Roux, B.; Zhu, X. X.; Macdonald, P. M. Macromolecules 1996, 29, 6031]. The results obtained with PVA, HPMC, PNNDEA, and PNIPA are used to evaluate the applicability of these models in polymer−water−solute ternary systems. The physical significance of the parameters used in the models is discussed.
Inhibition of bradykinin-induced synovial plasma extravasation produced by intrathecal nicotine is mediated by the hypothalamopituitary adrenal axis (1996)

1. Bradykinin (BK)-induced plasma extravasation (PE) in the rat knee joint, which is dependent to a large extent on the sympathetic innervation of the synovium, is powerfully inhibited, dose dependently, by intrathecal administration of nicotine, especially after interruption of the impulse traffic in afferents of the abdominal vagus nerve. In this study we investigated in vagotomized animals possible efferent pathways that might mediate the inhibition produced by the intrathecally applied nicotine. We studied the role of the sympathetic supply to the knee joint, of the sympathoadrenal system, and of the hypothalamopituitary-adrenal (HPA) axis in the ability of intrathecal nicotine to inhibit BK-induced PE in the knee joint. The experimental interventions performed were as follows: recording activity in the lumbar sympathetic trunk; antagonizing the effect of epinephrine, released from the adrenal medulla; acute interruption of the lumbar sympathetic trunks; hypophysectomy; and blockade of the glucocorticoid receptors. We employed acutely vagotomized animals because in these animals nicotine-induced inhibition is enhanced. 2. We found that hypophysectomy or blockade of the glucocorticoid receptors markedly attenuated the inhibition of BK-induced PE produced by intrathecal nicotine. 3. Intrathecal nicotine did not affect activity in the sympathetic chain. 4. Acute interruption of the lumbar sympathetic chain, which leaves the sympathetic terminals in the synovium intact but abolishes activity in the sympathetic postganglionic neurons, did not change the inhibition of BK-induced PE produced by intrathecal nicotine. 5. Blockade of the beta 2 adrenoceptors in the knee joint, preventing in this way potential effects of epinephrine released by the adrenal medulla, did not affect the inhibition of BK-induced PE produced by intrathecal nicotine. 6. The results of the present experiments strongly support the hypothesis that the powerful suppression of BK-induced PE in the knee joint generated by intrathecal nicotine is mediated via the HPA axis and not via activity in sympathetic neurons innervating the knee joint or the adrenal medulla. Future studies are needed to determine in which functional contexts this pathway is active in the control of PE in the synovia and of other aspects of inflammation.
Binding sites of water molecules on GaN (100) surface: DFT calculations (2011)

Recently, preliminary experimental results of solar-to-hydrogen generation by wafer level InGaN nanowires were reported [Z. Mi et al. Nano Lett., 2011, 11 (6), pp 2353-2357]. In the present paper we report a theoretical investigation on the dissociation process of water molecules on wurtzite GaN (100) surface (M-Plane) using the density functional theory (DFT). We calculated the structure and energetic of the water adsorption, reaction barrier energies and pathway for water dissociation. The results suggest that the absorption of H2O is more favorable near Gallium atoms than near Nitrogen atoms and we determined the likely binding sites of water molecules on GaN (100) surface. We also analyzed a model for hydrogen evolution reaction on GaN (100) that involves three steps, where a water molecule first dissociates into a hydrogen atom plus the OH group, followed by the dissociation of the hydroxyl group, and finally the two hydrogen atoms recombine to form molecular hydrogen. For these reactions, the atomic positions and the reaction barriers were determined.
Formulation and in vitro evaluation of sustained release dosage form with taste masking of metformin hydrochloride (2010)

An attempt was made to sustain the release of metformin HCl as well as to mask the bitter taste by complexation technique using strong cation-exchange resins, indion 244 and indion 264. The drug loading onto ion-exchange resin was optimized for mixing time, activation, effect of pH, mode of mixing, ratio of drug:resin and temperature. The resinate was evaluated for micromeritic properties, taste masking and characterized using XRPD and IR. Using resinate sustained release tablets were formulated using hydoxypropylmethylcellulose K100M.The tablets were evaluated for hardness, thickness, friability, drug content, weight variation and in vitro drug release. Tablets thus formulated (Batch B-6) provided sustained release of drug over a period of 10 h with first order kinetics. The release of metformin HCl from resinate controls the diffusion of drug molecules through the polymeric material into aqueous medium. Results showed that metformin HCl was successfully taste masked and formulated into a sustained dosage form as an alternative to the conventional tablet.