gebhart/patrepeval huggingface dataset:
Rotational analysis of the 2600a absorption system of benzene (1966)

Abstract The 2600A absorption system of benzene has been examined with very high resolving power, and the rotational fine structure partially analysed by comparison with computed contours. Vibronic bands involving degenerate e2g vibrations have contours characteristic of the vibrational angular momentum, and Coriolis coefficients £ have been determined for the lowest e2g vibrations in ground and B2u excited states. Band contours thus provide an additional criterion for checking vibrational assignments. In particular, values of £ determine the separation between band maximum and origin which can thus be calculated, and the vibrational analysis consequently refined in certainty and precision. Improved values of several fundamentals have been obtained, some new vibrational assignments made, and some previous ones rejected. Some important anharmonic constants have also been obtained. Vibronic relative intensities are briefly discussed. The rotational and vibrational evidence together make it certain that the equilibrium configurations of the carbon skeleton in benzene are exactly planar and hexagonal in both the ground and excited states, point group Z)6A. The rotational constants then give an estimate of the increase in G—C distance on excitation of + 0*038 A, in excellent agreement with estimates from other sources. The electronic origin of the system is revised: T00 = 38086*1 cm
XPS Measurement of YBa<sub>2</sub>Cu<sub>3</sub>O<sub>y</sub> Compounds Heated at Various Temperatures (1988)

Temperature dependences of XPS spectra of orthorhombic and tetragonal YBa 2 Cu 3 O y compounds were measured. Variation of satellite peaks of Cu 2P for the superconducting compound coincided with a change of Cu valence which was deduced from the oxygen content. For the nonsuperconducting compound, no distinct change in XPS spectra was observed up to 770 K. The XPS spectra of O 1S showed three different states of oxygen atoms in the compound. Analyzing the temperature dependence of these peaks, they were attributed to the three oxygen configurations around copper: the octahedral, pyramidal and square planar.
Electro-optic characteristics and switching principle of a single-cell-gap transflective liquid-crystal display associated with in-plane rotation of liquid crystal driven by a fringe-field (2005)

A single-gap transflective liquid-crystal (LC) display associated with in-plane rotation of the LC director was designed. In the device, a fringe electric field drives to rotate a homogeneously aligned LC in plane to optimize polarization efficiency. Rotating degrees of the LC director, 22.5° and 45° were required in both reflective and transmissive regions, respectively. In the device, the cell gap was the same for both regions, and a dark state was irrespective of the cell retardation value at normal direction, which was highly important in massive fabrications. The switching principle and electro-optic characteristics of the device are reported herein.
Functionally Graded Alloys Obtained by Additive Manufacturing (2014)

In the current study, selective laser melting is employed for direct manufacturing of functionally graded materials. An appropriate set of processing parameters allowing for direct microstructure manipulation of stainless steel is presented. Thorough analyses reveal a steep microstructural gradient resulting in distinct local mechanical properties. The process introduced will further give raise to the rapidly evolving field of additive manufacturing.
Preparation and application of 11 C-methionine in PET / CT (2011)

Objective To study the preparation of 11C-MET and its clinical application in PET/CT for brain tumor.Methods By using the 11C-CO2 as the primary material from the cyclotron,an active reagent group 11C-CH3I can be made.PET/CT imaging with 11C-MET was performed in 1 patient with postoperation of brain gliomas.Results The synthesis time of 11 C-MET was 2 min,synthetic yield was 85％ and radiochemical purity was over 99％.All quality criteria of 11C-MET meet the requirements of the positron radio-pharmaceuticals.Conclusions 11 C-MET has high speed and high efficiency of synthesis; it can be used in PET imaging.11C-MET showed high blood uptake and a long retention in the tumor mass,therefore can be a valuable tracer for PET/CT imaging of brain tumor.

Key words: 
11 C-methionine ;  Preparation ;  Brain tumor;  PET/CT imaging
Grid-Based Surrogate Reservoir Modeling (SRM) for Fast Track Analysis of Numerical Reservoir Simulation Models at the Grid block Level (2012)

Abstract Developing proxy models has a long history in our industry. Proxy models provide fast approximated solutions that substitute large numerical simulation models. They serve specific useful purposes such as assisted history matching and production/injection optimization. Most common proxy models are either reduced models or response surfaces. While the former accomplishes the run-time speed by grossly approximating the problem the latter accomplishes it by grossly approximating the solution space. Nevertheless, they are routinely developed and used in order to generate fast solutions to changes in the input space. Regardless of the type of model simplifications that is used, these conventional proxy models can only provide, at best, responses at the well locations, i.e. pressure or rate profiles at the well. In this paper we present application of a new approach to building proxy models. This method has one major difference with the traditional proxy models. It has the capability of replicating the results of the numerical simulation models, away from the wellbores. The method is called Grid-Based Surrogate Reservoir Model (SRM) since it is has the unique capability of being able to replicate the pressure and saturation distribution throughout the reservoir at the grid block level, and at each time step, with reasonable accuracy. Grid-Based SRM performs this task at high speed, when compared with conventional numerical simulators such as those currently in use (commercial and in-house) in our industry. To demonstrate the capabilities of Grid-Based SRM, its application to three reservoir simulation models are presented. Fist is a giant oil field in the Middle East with a large number of producers, second, to a CO2 sequestration project in Australia, and finally to a numerical simulation study of potential carbon storage site in the United States. The numerical reservoir simulation models are developed using two of the most commonly used commercial simulators1. Two of the models presented in this manuscript are consisted of hundreds of thousands of grid blocks and one includes close to a million cells. The Grid-based SRM that learns and replicates the fluid flow through these reservoirs can open new doors in reservoir modeling by providing the means for extended study of reservoir behavior with minimal computational cost. Surrogate Reservoir Modeling (SRM) is classified as an AI-Based reservoir model (Mohaghegh, 2011) referring to a process that accomplishes the task of proxy modeling by learning the specific behavior of a numerical reservoir simulation model through training on a uniquely developed spatio-temporal dataset. The spatio-temporal dataset is developed for each model using only a handful of simulation runs.
Clade-related phenotypic switching among fluconazole resistant Candida albicans isolates. (2012)

Phenotypic switching was clade-related. Highest switching in clade SA isolates suggests better survival un der adverse conditions. Stipple and irregular wrinkle phenotypes among clade SA isolates need to be studied further.
Transcytosis in MDCK cells: identification of glycoproteins transported bidirectionally between both plasma membrane domains. (1990)

MDCK cells display fluid-phase transcytosis in both directions across the cell. Transcytosis of cell surface molecules was estimated by electron microscopic analysis of streptavidin-gold-labeled frozen sections of biotinylated cells. Within 3 h, approximately 10% of the surface molecules, biotinylated on the starting membrane domain, were detected on the opposite surface domain irrespective of the direction of transcytosis. This suggests that the transcytosis rates for surface molecules are equal in both directions across the cell as shown previously for fluid-phase markers. A biochemical assay was established to identify transcytosing glycoproteins in MDCKII-RCAr cells, a ricin-resistant mutant of MDCK. Due to a galactosylation defect, surface glycoproteins of these cells can be labeled efficiently with [3H]galactose. Transcytosis of [3H]galactose-labeled glycoproteins to the opposite membrane domain was detected by surface biotinylation. Detergent-solubilized glycoproteins derivatized with biotin were adsorbed onto streptavidin-agarose and separated by SDS-PAGE. A subset of the cell surface glycoproteins was shown to undergo transcytosis. Transport of these glycoproteins across the cell was time and temperature dependent. By comparative two-dimensional gel analysis, three classes of glycoproteins were defined. Two groups of glycoproteins were found to be transported unidirectionally by transcytosis, one from the apical to the basolateral surface and another from the basolateral to the apical surface. A third group of glycoproteins which has not been described previously, was found to be transported bidirectionally across the cell.
Role of the Single Regulator MrsR1 and the Two-Component System MrsR2/K2 in the Regulation of Mersacidin Production and Immunity (2002)

The lantibiotic mersacidin is an antimicrobial peptide of 20 amino acids which inhibits bacterial cell wall biosynthesis by binding to the precursor molecule lipid II and which is produced by Bacillus sp. strain HIL Y-85,54728. The structural gene of mersacidin as well as accessory genes is organized in a biosynthetic gene cluster which is located on the chromosome and contains three open reading frames with similarities to regulatory proteins: mrsR2 and mrsK2 encode two proteins with homology to bacterial two-component systems, and mrsR1 shows similarity to a response regulator. Both mrsR2/K2 and mrsR1 were inactivated by insertion of an antibiotic resistance marker. Disruption of mrsR1 resulted in loss of mersacidin production; however, producer self-protection was not impaired. In contrast, inactivation of mrsR2/K2 led to an increased susceptibility to mersacidin whereas biosynthesis of the lantibiotic remained unaffected. Binding of mersacidin to intact cells was significantly enhanced in the mrsR2/K2 knockout mutant. Reverse transcription-PCR analysis from total RNA preparations showed that in contrast to the wild-type strain, the structural genes of the ABC transporter MrsFGE were not transcribed in the knockout mutant. It was therefore concluded that producer self-protection against mersacidin is conferred by the ABC transporter MrsFGE and that the transcription of mrsFGE is regulated by MrsR2/K2, whereas production of the antibacterial peptide is solely activated by MrsR1.
Antihypertensive therapy: achievements, failures, and prospects. (1990)

Several studies have shown that treatment of hypertension does not return risk to normal. Reasons include imperfect clinic organization, poor patient compliance, adverse drug effects, inadequate blood pressure control, and, particularly, failure to affect the atheromatous complications of hypertension. Future therapeutic efforts, and especially drug design, should be directed to these needs.
Circadian Rhythm of Serum Cortisol after Repeated Inhalation of the New Topical Steroid Ciclesonide (2002)

Serum cortisol showed the typical circadian rhythm. The geometric mean of the 24-h mesor (AUC((0-24 h))/24 h) was 7.22 microg/dl for placebo, 6.75 microg/dl for the 800 microg ciclesonide morning dose, 7.08 microg/dl for the 800 microg evening dose, and 6.75 microg/dl for 400 microg ciclesonide inhaled twice daily. Because there was also no influence on cortisol amplitude and acrophase (time of maximum), the profiles after ciclesonide were equivalent to the placebo control. The small differences were considered not to be of clinical significance. In conclusion, inhaled ciclesonide in daily doses of 800 microg for 7 d is without clinically relevant effects on the hypothalamic-pituitary-adrenal axis independent of the time of administration.
Functionalized asphalt mixtures: Photocatalytic, superhydrophobic and self-cleaning properties (2017)

This work was supported by FCT—Fundacao para a Ciencia e Tecnologia—through the project
PEst-OE/ECI/UI4047/2014
118. The constitution of yohimbine and related alkaloids. Part VI. The synthesis of 1 : 2 : 3 : 4 : 6 : 7 : 12 : 12b-octahydro-2-ketoindolo-(2 : 3-a)pyridocoline and 1 : 2 : 3 : 4-tetrahydroindolo(2 : 3-a)pyridocoline (1952)

L. H. Groves and G. A. Swan, J. Chem. Soc., 1952, 650 DOI: 10.1039/JR9520000650
Application of the Random Forest Method in Studies of Local Lymph Node Assay Based Skin Sensitization Data (2005)

The random forest and classification tree modeling methods are used to build predictive models of the skin sensitization activity of a chemical. A new two-stage backward elimination algorithm for descriptor selection in the random forest method is introduced. The predictive performance of the random forest model was maximized by tuning voting thresholds to reflect the unbalanced size of classification groups in available data. Our results show that random forest with a proposed backward elimination procedure outperforms a single classification tree and the standard random forest method in predicting Local Lymph Node Assay based skin sensitization activity. The proximity measure obtained from the random forest is a natural similarity measure that can be used for clustering of chemicals. Based on this measure, the clustering analysis partitioned the chemicals into several groups sharing similar molecular patterns. The improved random forest method demonstrates the potential for future QSAR studies based on a large number of descriptors or when the number of available data points is limited.
The in vitro interaction of Cryptococcus neoformans with human lung epithelial cells (1997)

The interaction of Cryptococcus neoformans with a human lung epithelial cell line (A549) is described. Encapsulated and acapsular strains adhered to epithelial cells in a time-dependent manner, with the acapsular strain being the most adherent under all conditions tested. Internalized cryptococci were additionally observed. The expression of the adhesins responsible for adherence to the epithelial cells was induced by growth at 37°C. Adhesin expression was repressed in all strains by growth with sucrose as the sole carbon source. A strain-specific repression of adhesin expression was observed after growth with galactose and xylose. A variety of carbohydrates included in the assay suspensions blocked adherence, implicating certain carbohydrate moieties that might serve as ligands for the yeast adhesin. Finally, a monoclonal antibody is described that inhibited cryptococcal adherence to the epithelial cells. Collectively, the results demonstrate a specific interaction between C. neoformans and lung epithelial cells mediated by yeast adhesins whose expression is regulated by environmental factors.
Traffic engineering based on stochastic model predictive control for uncertain traffic change (2015)

Traffic engineering (TE) plays an essential role in deciding routes that effectively use network resources. This is particularly important when one considers the increasing time variation of Internet traffic such as streaming and cloud services. Traffic engineering with traffic prediction is one approach to stably accommodating time-varying traffic. This approach calculates routes from predicted traffic to avoid congestion, but predictions may include errors that instead cause congestion. We propose a prediction-based traffic engineering method that is robust to prediction errors by considering the probability distribution of predicted traffic. Our approach is based on a control-theoretic approach called stochastic model predictive control. Routes are calculated using a probability distribution of prediction errors so that the occurrence probability of congestion is lower than an operator-specified level. By considering the multi-step future dynamics of traffic, the routes are changed gradually to avoid route oscillation. We also show a relaxation method for unreliable far-future probabilistic constraints to avoid overly conservative route changes. Through simulations using backbone network traffic traces, we demonstrate that our method can accommodate most traffic variations under a given target link capacity without sudden large routes changes.
Discovery of <i>N</i>‐(2‐(Benzylamino)‐2‐oxoethyl)benzamide analogs as a novel scaffold of pancreatic β‐cell protective agents against endoplasmic reticulum stress (2019)

Endoplasmic reticulum (ER) stress-induced pancreatic β-cell dysfunction and death play important roles in the development of diabetes. The 1,2,3-triazole derivative 1 is one of only a few structures that have thus far been identified that protect β cells against ER stress. However, this compound has narrow activity range and limited aqueous solubility. To overcome these, we designed and synthesized a new scaffold in which the triazole pharmacophore was substituted with a glycine-like amino acid. Structure-activity relationship studies on this scaffold identified a N-(2-(Benzylamino)-2-oxoethyl)benzamide analog WO5m that possesses β-cell protective activity against ER stress with much improved potency (maximal activity at 100% with EC<sub>50</sub> at 0.1 ± 0.01 µm) and water solubility. Identification of this novel β-cell protective scaffold thus provides a new promising modality for the treatment of diabetes.
Pyrometric interferometry for real time molecular beam epitaxy process monitoring (1994)

Pyrometric interferometry (PI) has recently been demonstrated for simultaneous real time wafer temperature and thickness measurement during the molecular beam epitaxy process. Both parameters of the thin film layer can be determined from the changing interference conditions in the layer. We used a reflection assisted version of PI to follow the thermal history of the wafer under different conditions and were able to resolve temperature to less than 1 °C. For thickness measurements, a parabolic fitting algorithm was used to accurately determine the endpoints of the GaAs/AlAs quarter wave stacks. Compared to other noncontact methods this technique can be used for very thick layers and is unaffected by the layer absorption and optical effects.
Effects of Organic Solvents on the Scission Energy of Rodlike Micelles (2004)

The linear viscoelastic response of erucyl bis(hydroxyethyl) methylammonium chloride with added KCl has been studied as a function of temperature and nonpolar solvent addition. The plateau modulus is independent of temperature from 25 to 40 degrees C, in contrast to previous studies with salicylate counterions that showed a plateau modulus increasing with temperature over this range. The average micelle length, L, predicted by the model of Cates, depends experimentally on Escis/kBT, where Escis is the scission energy of the chain and kBT is the Boltzmann constant times the absolute temperature. With ethanol addition, the calculated average contour length, L, decreases by a factor of 4 as ethanol concentration varies from 0 to 1.3 M. This corresponds to an apparent energy for scission, Escis, decrease from 81 +/- 8 to 74 +/- 7 kJ/mol. On the other hand, only 80 mM of hexane is required to cause a decrease in Escis to the same level, and for hexane addition levels above 70 mM a disruption in the plateau modulus indicates the disruption of the rodlike structure. The correspondence between the effect of temperature and the effect of solvent addition allows the development of "solvent/temperature" superposition rules to predict the rheology of these viscoelastic fluids at elevated temperatures.
Low operating voltage and short settling time CMOS charge pump for MEMS applications (2003)

A 16-stage constant-threshold-voltage type charge pump was designed and fabricated in a standard CMOS 0.18-/spl mu/m process. With an input clock voltage of less than 1.2 V, the maximum possible output voltage is 14.8 V, with a 65 psec rise time. The charge pump employs metal-insulator-metal (MIM) capacitors in order to minimize the chip area (0.8 /spl times/ 0.9 mm/sup 2/). This circuit is intended for generating on-chip actuation voltages for microelectro-mechanical devices and systems (MEMS).
Anti-AIDS Agents. 37. Synthesis and Structure−Activity Relationships of (3‘<i>R</i>,4‘<i>R</i>)-(+)-<i>cis</i>-Khellactone Derivatives as Novel Potent Anti-HIV Agents (1999)

To explore the structural requirements of (+)-cis-khellactone derivatives as novel anti-HIV agents, 24 monosubstituted 3', 4'-di-O-(S)-camphanoyl-(+)-cis-khellactone (DCK) derivatives were synthesized asymmetrically. These compounds included 4 isomeric monomethoxy analogues (3-6), 4 isomeric monomethyl analogues (7-10), 4 4-alkyl/aryl-substituted analogues (11-14), and 12 4-methyl-(+)-cis-khellactone derivatives (15-26) with varying 3', 4'-substituents. These (+)-cis-khellactone derivatives were screened against HIV-1 replication in acutely infected H9 lymphocytes. The results demonstrated that the (3'R,4'R)-(+)-cis-khellactone skeleton, two (S)-(-)-camphanoyl groups at the 3'- and 4'-positions, and a methyl group on the coumarin ring, except at the 6-position, were optimal structural moieties for anti-HIV activity. 3-Methyl- (7), 4-methyl- (8), and 5-methyl- (9) 3',4'-di-O-(S)-camphanoyl-(3'R, 4'R)-(+)-cis-khellactone showed EC(50) and therapeutic index values of <5.25 x 10(-5) microM and >2.15 x 10(6), respectively, in H9 lymphocytes, which are much better than those of DCK and AZT in the same assay. Furthermore, 8 and 9 also showed potent inhibitory activity against HIV-1 replication in the CEM-SS cell line, and most monosubstituted DCK analogues were less toxic than DCK in both assays.
Ultra-fast PCR technologies for point-of-care testing (2017)

Abstract This contribution presents exemplary approaches on how to improve the most time-limiting part of polymerase chain reactions, the heating and cooling steps. A new technology, Laser PCR ® , promises to deliver a solution fast enough for point-of-care applications.
Characterization of the Fv Fragment Isolated from a Human Immunoglobulin M (1974)

Abstract A fragment composed of the variable regions of heavy and light chains was isolated from a Waldenström IgM(Hi) protein (κ-type). This fragment was obtained almost quantitatively either by direct peptic digestion of the IgM at pH 4.5, or by peptic digestion of the Fabµ fragment produced by papain digestion of the IgM. The fragment, which was called Fv fragment, had a molecular weight of 30,000. Quantitative and qualitative analyses of the antigenicity indicated that this fragment carried essentially all the antigenicity of the variable region of the Hi protein, except some of that of the variable region of κ chain; but it carried only a trace, if any, of the antigenicity of constant region. The results showed that the variable regions of heavy and light chains of an IgM molecule were isolated in their associated form maintaining the structural integrity as in the native molecule.