gebhart/patrepeval huggingface dataset:
Dinitrogen Cleavage by Three-Coordinate Molybdenum(III) Complexes:  Mechanistic and Structural Data1 (1996)

The synthesis and characterization of the complexes Mo[N(R)Ar]3 (R = C(CD3)2CH3, Ar = 3,5-C6H3Me2), (μ-N2){Mo[N(R)Ar]3}2, (μ-15N2){Mo[N(R)Ar]3}2, NMo[N(R)Ar]3, 15NMo[N(R)Ar]3, Mo[N(t-Bu)Ph]3, (μ-N2){Mo[N(t-Bu)Ph]3}2, and NMo[N(t-Bu)Ph]3 are described. Temperature-dependent magnetic susceptibility data indicate a quartet ground state for Mo[N(R)Ar]3. Single-crystal X-ray diffraction studies for Mo[N(R)Ar]3 and NMo[N(t-Bu)Ph]3 are described. Extended X-ray absorption fine structure (EXAFS) structural studies for Mo[N(R)Ar]3, (μ-N2){Mo[N(R)Ar]3}2, and NMo[N(R)Ar]3 are reported. Temperature-dependent kinetic data are given for the unimolecular fragmentation of (μ-N2){Mo[N(R)Ar]3}2 to 2 equiv of NMo[N(R)Ar]3 and for the fragmentation of (μ-15N2){Mo[N(R)Ar]3}2 to 2 equiv of 15NMo[N(R)Ar]3. The temperature dependence of the 15N2 isotope effect for the latter N2 cleavage process was fitted to a simple harmonic model, leading to a prediction for the difference in NN stretching frequencies for the two isotopomers. The latter prediction was consistent with the Raman spectroscopic data for (μ-N2){Mo[N(R)Ar]3}2 and (μ-15N2){Mo[N(R)Ar]3}2. The Raman spectroscopic data and EXAFS results are both consistent with an NN bond order of approximately 2 in (μ-N2){Mo[N(R)Ar]3}2. Temperature-dependent magnetic susceptibility data consistent with a triplet ground state are given for (μ-N2){Mo[N(t-Bu)Ph]3}2.
Characterization of the herb-derived components in rats following oral administration of Carthamus tinctorius extract by extracting diagnostic fragment ions (DFIs) in the MSn chromatograms (2014)

In this study, a new strategy named extracting diagnostic fragment ions (DFIs) in the MS(n) chromatograms [E(DFI)MS(n)Cs] was proposed to rapidly detect and identify the in vivo components derived from the extract of Carthamus tinctorius (ECT), using high performance liquid chromatography coupled with hybrid ion trap-time of flight mass spectrometry. In order to comprehensively summarize the DFIs for the global identification of in vivo constituents of ECT, chemical profiling was carried out, and then the typical metabolic pathways of the primary components were proposed according to their chemical categories, by orally administering representative reference compounds. Based on the proposed metabolic pathways and the fragmentation rules, a list of DFIs was constructed and adopted to differentiate and identify the metabolites from the endogenous substances in the MS(n) chromatograms of ECT-treated biological samples, in combination with the neutral loss scan mode as a supplement. As a result, a total of 156 compounds were tentatively assigned in vivo, including 63, 73, 50, and 17 components from rat plasma, urine, bile, and feces, respectively, following oral administration of ECT. Deglycosylation, oxidation, methylation, sulfonation, and glucuronidation were observed as the major metabolic pathways for the chemical constituents of ECT, and dehydroxylation was detected at the A-ring of flavones for the first time. The findings suggested that the E(DFI)MS(n)Cs-based strategy which integrated ideas from single compounds to herbal extracts and from extract chemical profiling to in vivo metabolite profiling, could be used as a reliable tool for rapidly discovering and identifying herb-related constituents in vivo.
FasL deficiency does not prevent acute rejection but decreases eosinophilic infiltration after concordant islet xenotransplantation in mice (1999)

info:eu-repo/semantics/published
Fast Rendering of Image Mosaics and ASCII Art (2015)

Abstract An image mosaic is an assembly of a large number of small images, usually called tiles , taken from a specific dictionary/codebook. When viewed as a whole, the appearance of a single large image emerges, i.e. each tile approximates a small block of pixels. ASCII art is a related (and older) graphic design technique for producing images from printable characters. Although automatic procedures for both of these visualization schemes have been studied in the past, some are computationally heavy and cannot offer real‐time and interactive performance. We propose an algorithm able to reproduce the quality of existing non‐photorealistic rendering techniques, in particular ASCII art and image mosaics, obtaining large performance speed‐ups. The basic idea is to partition the input image into a rectangular grid and use a decision tree to assign a tile from a pre‐determined codebook to each cell. Our implementation can process video streams from webcams in real time and it is suitable for modestly equipped devices. We evaluate our technique by generating the renderings of a variety of images and videos, with good results. The source code of our engine is publicly available.
Synthesis and Structure−Activity Relationships of a New Model of Arylpiperazines. 6. Study of the 5-HT1A/α1-Adrenergic Receptor Affinity by Classical Hansch Analysis, Artificial Neural Networks, and Computational Simulation of Ligand Recognition (2000)

A classical quantitative structure-activity relationship (Hansch) study and artificial neural networks (ANNs) have been applied to a training set of 32 substituted phenylpiperazines with affinity for 5-HT(1A) and alpha(1)-adrenergic receptors, to evaluate the structural requirements that are responsible for 5-HT(1A)/alpha(1) selectivity. The resulting models provide a significant correlation of electronic, steric, and hydrophobic parameters with the biological affinities. Although the derived linear Hansch correlations give good statistics and acceptable predictions, the introduction of nonlinear relationships in the analysis gives more solid models and more accurate predictions. In the ANN models on the basis of the obtained 3D plots, the 5-HT(1A) affinity has a nonlinear dependence on F, V(o), V(m), and pi(o), although the nonlinear relationship is not far from a planar one. The alpha(1)-adrenergic receptor affinity has a clear nonlinear dependence on F, V(o), V(m), pi(o), and pi(m). A comparison of both analyses gives an additional understanding for 5-HT(1A)/alpha(1) selectivity: (a) high F values increase the binding affinity for 5-HT(1A) receptors and decrease the affinity for alpha(1) sites; (b) the hydrophobicity at the meta-position has only influence for the alpha(1)-adrenergic receptor; (c) the meta-position seems to be implicated in the 5-HT(1A)/alpha(1) selectivity. While the 5-HT(1A) receptor is able to accommodate bulky substituents in the region of its active site, the steric requirements of the alpha(1)-adrenergic receptor at this position are more restricted. This information was used for the design of the new ligand EF-7412 (33) (5-HT(1A): K(i exptl) = 27 nM, alpha(1): K(i exptl) > 1000 nM; 5-HT(1A): K(i pred) (ANN) = 36 nM, alpha(1): K(i pred ANN) = 2745 nM) which was characterized as an antagonist in vivo in pre- and postsynaptic 5-HT(1A)R sites. Computational simulations of the complex between EF-7412 (33) and a 3D model of the transmembrane domain of the 5-HT(1A) receptor allowed us to define the molecular details of the ligand-receptor interaction that includes: (i) the ionic interaction between the protonated amine of the ligand and Asp 3.32; (ii) the hydrogen bonds between the m-NHSO(2)Et group of the ligand and Asn 7.39; and the hydrogen bonds between the hydantoin moiety of the ligand and (iii) Thr 3.37, (iv) Ser 5.42, and (v) Thr 5.43. These QSAR and ANN results in combination with computational simulations of ligand recognition will be useful for the design of potent selective 5-HT(1A) ligands.
Chemical Stimulation of Gas/Condensate Reservoirs (2006)

Abstract Significant productivity loss occurs in gas-condensate wells when the bottom hole flowing pressure drops below the dewpoint pressure. The decline in productivity is due to nearwell accumulation of condensate in the reservoir rock, which is significant even for wells producing very lean gas with liquid dropout values less than 1%. Many different methods such as hydraulic fracturing, dry gas injection and solvent injection have been proposed and implemented to stimulate such wells. However, all of these methods offer short-lived stimulation and are sometimes not profitable. New experimental core flooding data using chemical treatments show that the steady-state gas and condensate relative permeability in both outcrop and reservoir sandstones can be increased by a factor of 2 to 3 over a wide range of temperature (145 to 275 °F). Spectroscopic data show that the sandstone surface remains modified by the chemical even after flooding the core with large volumes of gas. A relative permeability model that includes effects such as the decrease in the residual condensate saturation after treatment and the effect of capillary number is presented. Fine-grid compositional simulations of a single-well treatment were done using the calibrated relative permeability model to investigate the performance of chemical treatments under field conditions as a function of variables such as treatment radius. These simulations show that chemical treatments have the potential to greatly increase production at low cost relative to the increased revenue since only the near-well region blocked by the condensate needs to be treated.
Controlling nanopore size, shape and stability (2010)

Solid-state nanopores are considered a promising tool for the study of biological polymers such as DNA and RNA, due largely to their flexibility in size, potential in device integration and robustness. Here, we show that the precise shape of small nanopores (approximately 5 nm diameter in 20 nm SiN membranes) can be controlled by using transmission electron microscope (TEM) beams of different sizes. However, when some of these small nanopores are immersed in an aqueous solution, their resistance is observed to decrease over time. By comparing nanopores of different shapes using (scanning) TEM both before and after immersion in aqueous solution, we demonstrate that the stability of small nanopores is related to their three-dimensional geometry, which depends on the TEM beam size employed during pore fabrication. Optimal stability is obtained using a TEM beam size of approximately the same size as the intended nanopore diameter. In addition, we show that thermal oxidation can serve as a means to independently control nanopore size following TEM fabrication. These observations provide key guidelines for the fabrication of stable solid-state nanopores on the scale of nucleic acids and small proteins.
Image segmentation using rough-fuzzy K-medoid algorithm (2012)

Recently image segmentation based on rough set and fuzzy set have gained increasing attention. In this article, a rough-fuzzy K-medoid algorithm is proposed for color image segmentation. The main objective of this algorithm is to provide an efficient method which uses color information (R, G, B values) along with neighborhood relationships. In this method K-medoid algorithm is modified using reduct formation rule of rough set theory while membership values of the features are obtained using fuzzy sets. This method uses spatial segmentation where an image is divided into different parts with similar properties. Choice of initial cluster centers affects the performance of K-medoid algorithm, even if it is a simple and effective one. In this article, a modified K-medoid algorithm is proposed having two parts- in the first part, the initial cluster centers are optimized by rough set theory and in the second part the optimal cluster centers are used to execute K-medoid algorithm. The proposed scheme does not require any prior information about the number of segments. Results are compared with five different state of the art image segmentation algorithms and are found to be encouraging.
In-line fiber optic polarimeter with a 99% coupler (1995)

A polarization transformer in combination with a polarization analyzer is well suited for the generation of any wanted polarization state. We describe the setup, calibration, and applications of an in-line fiber optic polarization detector (IPD) built with a fiber optic coupler of 99% coupling ratio. At the low power output port we use standard beamsplitters and polarizers to generate four different polarization dependent signals. For calibration, the polarization is measured at the high-power output port with an oft-line polarimeter (OPD). This enables the determination of the system matrix, which represents the relation between the polarization at the high-power port and the four signals at the low-power port. With this system matrix, a continuous and accurate determination of the polarization at the high-power output port is possible.
A glyoxalase I inhibitor of a new structural type produced by Streptomyces. (1975)

Many streptomyces strains produced an inhibitor of crude glyoxalase prepared from rat liver which did not inhibit glyoxalase I prepared from yeast. Another inhibitor, C11H14O6, which inhibited glyoxalases prepared from both rat liver and yeast was obtained from a cultured broth of Streptomyces griseosproeus and crystallized. Preincubation of this inhibitor with reuduced glutathione increased its inhibitory activity, which suggested its reaction with reduced glutathione. It showed a strong inhibition of growth of HeLa cells and inhibition of Ehrlich ascites carcinoma by daily injection. It also showed weak inhibition of the solid type of Ehrlich carcinoma and prolonged the survival period of mice inoculated with L-1210 cells.
Synthesis of Novel Oximes of 2-Aryl-6-methoxy-3,4-dihydronaphthalene and Their Evaluation as Inhibitors of 17α-Hydroxylase-C17,20-Lyase (P450 17) (1998)

The synthesis and biological evaluation of oximes of 2-aryl-6-methoxy-3,4-dihydronaphthalene (7a, 7b, 14a, 14b) as nonsteroidal inhibitors of 17α-hydroxylase-C17,20-lyase (P450 17, CYP 17) is described. The target compounds were synthesized and identified by 1H NMR and MS. The preparation of the key intermediates 5a and 5b was accomplished by coupling 4a and 4b with 1 (2-hydroxy-6-methoxy-3,4-dihydronaphthalene-2-trifluoromethanesulfonate) using the palladium complex Pd(PPh3)4 as catalyst. Hydrolysis of 5a and 5b in THF-HCl solution at room temperature gave the corresponding keto compounds 6a and 6b. The other important intermediates – the substituted (E)-2-methylene-1-tetralones 10a and 10b – were obtained by condensation of 1-tetralone with the corresponding aromatic aldehydes (9a and 9b). Hydrogenation (H2), followed by reduction (NaBH4), and subsequent hydrolysis and elimination led to the keto compounds 13a and 13b. The title compounds, the oximes 7a, 7b and 14a, 14b were formed by reaction of hydroxylamine hydrochloride with the corresponding keto compounds. Using a microsomal fraction of human testicular enzyme, 7a, 7b, 14a, and 14b inhibited the target enzyme only marginally.
O1–03–01: Linking declining levels of plasma beta‐amyloid 42 to Alzheimer's disease: The role of cerebral microbleeds (2013)

Older individuals with declining levels of plasma Aβ 42 are at increased risk for the development of Alzheimer's disease (AD), but the mechanism linking the two is unclear. One possibility is that declines in plasma Aβ 42 reflect deposition of circulating Aβ 42 in the walls of cerebral blood vessels, a phenomenon referred to as cerebral amyloid angiopathy (CAA). Small, punctate lesions, or microbleeds, visualized on T2*-weighted magnetic resonance imaging (MRI) are considered markers of CAA, particularly when found in lobar regions of the brain. In the current study, we determined whether individuals with declining levels of Aβ 42 have increased microbleeds. Plasma Aβ 40 and Aβ 42 were measured at two time points (mean interval = 4.6 yrs) in participants in the Washington Heights Inwood Columbia Aging Project, a community-based study of aging and dementia among elders residing in upper Manhattan. T2*-weighted MRI scans were acquired 4.3 (SD=1.3) years following the second Aβ measurement and microbleeds were visually identified and counted separately for lobar and subcortical regions. The sample was divided into beta amyloid change groups based on 0.5 standard deviation of change: increasing, no change, decreasing. The mean number of deep and lobar microbleeds was compared across the three groups with multivariate general linear models with bootstrapping, controlling for age, ethnicity, sex, education and APOE genotype. Both plasma Aβ and microbleed data were available for 187 participants (mean age at baseline = 74.9 +/- 5.16 years, 68% women). Twenty-one percent and 9% of the sample had any lobar and deep microbleeds, respectively. Mean number of microbleeds was 1.6 (+/- 0.44) in those with declining Aβ 42, 0.60 (+/- 0.20) in those with no change in Aβ 42 and 0.34 (+/- 0.17) in those with increasing Aβ 42; significant main effect of Group, F(4,352)=3.05, p=0.017). The three Aβ 42 change groups did not differ in severity of deep microbleeds. Neither Aβ 40 change groups nor Aβ 42/Aβ 40 ratio change groups differed for either lobar or deep microbleed severity. The findings suggest that the vascular deposition of circulating beta amyloid may be a pathway through which declining levels of plasma Aβ 42 increases risk for development of AD.
Tetrachloroethene Dehalogenase from Dehalospirillum multivorans : Cloning, Sequencing of the Encoding Genes, and Expression of the pceA Gene in Escherichia coli (1998)

The genes encoding tetrachloroethene reductive dehalogenase, a corrinoid-Fe/S protein, of Dehalospirillum multivorans were cloned and sequenced. The pceA gene is upstream of pceB and overlaps it by 4 bp. The presence of a sigma70-like promoter sequence upstream of pceA and of a rho-independent terminator downstream of pceB indicated that both genes are cotranscribed. This assumption is supported by reverse transcriptase PCR data. The pceA and pceB genes encode putative 501- and 74-amino-acid proteins, respectively, with calculated molecular masses of 55,887 and 8,354 Da, respectively. Four peptides obtained after trypsin treatment of tetrachloroethene (PCE) dehalogenase were found in the deduced amino acid sequence of pceA. The N-terminal amino acid sequence of the PCE dehalogenase isolated from D. multivorans was found 30 amino acids downstream of the N terminus of the deduced pceA product. The pceA gene contained a nucleotide stretch highly similar to binding motifs for two Fe4S4 clusters or for one Fe4S4 cluster and one Fe3S4 cluster. A consensus sequence for the binding of a corrinoid was not found in pceA. No significant similarities to genes in the databases were detected in sequence comparisons. The pceB gene contained two membrane-spanning helices as indicated by two hydrophobic stretches in the hydropathic plot. Sequence comparisons of pceB revealed no sequence similarities to genes present in the databases. Only in the presence of pUBS 520 supplying the recombinant bacteria with high levels of the rare Escherichia coli tRNA4Arg was pceA expressed, albeit nonfunctionally, in recombinant E. coli BL21 (DE3).
Interactive Simultaneous Editing of Multiple Text Regions (2018)

Simultaneous editing is a new method for automating repetitive text editing. After describing a set of regions to edit (the <em>records</em>), the user can edit any one record and see equivalent edits applied simultaneously to all other records. The essence of simultaneous editing is generalizing the user’s selection in one record to equivalent selections in the other records. We describe a generalization method that is fast (suitable for interactive use), domain-specific (capable of using high-level knowledge such as Java and HTML syntax), and under user control (generalizations can be corrected or overridden). Simultaneous editing is useful for source code editing, HTML editing, and scripting, as well as many other applications.
Reliability centered preventive maintenance optimization for aircraft indicators (2016)

Maintenance, as a support function in aircraft operations, plays an important role for sustained availability, safety, and operating readiness. This research aims to optimize the preventive maintenance interval by minimizing the expected long-term operating cost based on the aircraft indicators reliability information. Major failure modes of two indicator applications from two suppliers are identified using the information from failure mode and effect analysis (FMEA) reports. Mean time to failure (MTTF) and mean time between unscheduled replacement (MTBUR) metrics are derived and used as inputs for the preventive maintenance interval optimization model. In addition to the optimized preventive maintenance interval, the reliability analysis outcomes provide insights about the failure root causes and failure mechanisms in terms of failure rates.
Determination of the ionization region in Hall thruster plasmas with low perturbation (2021)

Information on the ionization of propellant gases is invaluable for Hall thruster plasma studies because the ion beam is the source of thrust generation. This study proposes a new method that identifies the ionization location of Xe+ ions in Hall thruster plasmas by combining the laser-induced fluorescence spectroscopy and floating emissive probe measurements in annular and cylindrical Hall thrusters. In an annular Hall thruster, this method indicated that ionization became the largest at a few millimeters upstream of the maximum radial magnetic field, whose result agreed with a one-dimensional hybrid fluid/particle-in-cell (PIC) simulation result. On the other hand, the ionization region in a cylindrical Hall thruster was located deeper inside the discharge cavity than that of the annular thruster. In addition, a large upstream shift of the ionization region was observed with the decreasing fraction of the radial magnetic field in the cylindrical Hall thruster.
Geometric Optimization of Scroll Compressors (2018)

Electric driven scroll compressors are widely used for the A/C systems in electric cars. Besides many other advantages scroll compressors offer comparable good efficiencies and can be used easily in both refrigeration and heat pump mode. Scroll compressors were first introduced in the early 20th century. Over the decades they have been further developed and optimized and became increasingly efficient. Among other things numerical simulations contributed to this process. However, most of the studies focus on the optimization of the scroll wraps and their design. Investigations concerning the discharge geometry of scroll wraps as well as the positioning and the design of pre-outlet and main outlet bores are rarely present. Therefore, this contribution focusses on the geometric optimization of the discharge geometry of scroll wraps by means of a geometrical and physical based numerical simulation. The first part outlines a brief literature study on the investigated topic. Subsequently, compressors with variable and constant wall thickness are compared. Afterwards, the study goes into detail, describing the outlet geometry (arc/arc and arc/line/arc) as well as the sizing and positioning of pre-outlet bores and the main outlet bore. The main focus lies on their influence on the compressor efficiencies, the outlet temperature as well as the torque fluctuations. The investigations are performed for different operating points using the above-mentioned simulation model. The contribution closes with a summary of all results and effects on the compressor efficiencies as well as some recommendations for future developments.
Postmastectomy Breast Reconstruction: Exploring Plastic Surgeon Practice Patterns and Perspectives (2020)

Reconstructive practices in a modern cohort of plastic surgeons suggest that immediate and implant reconstructions are performed preferentially. Respondents perceived a number of factors, including surgeon training, time spent in the operating room, and insurance reimbursement, to negatively influence the performance of autologous reconstruction.