gebhart/patrepeval huggingface dataset:
A theoretical study of tautomerism: 2‐ and 4‐oxopyrimidine and some of their derivatives (1985)

Abstract Here we present a detailed study of the theoretical approach to the tautomerization processes considering 2‐ and 4‐oxo‐pyrimidine and several of their derivatives. We look into molecular relaxation, suitability of semiempirical methods, and the effect of basis sets size in pseudopotential ab initio calculations. We found that no semiempirical method is suited for studying the relative stability of the tautomers, even ab initio calculations with minimal basis sets. On the other hand MNDO appears to be very useful for molecular relaxation and can be used, as well as Ab initio calculations, for reasonable estimates of relative tautomerization. We also considered the quality of prediction of other parameters, in particular the ionization potentials. We considered the correlation of experimental and theoretical values as a means to adjust the theoretical results to obtain more reliable predictions.
Optical probe for local void fraction and interface velocity measurements (1978)

In view of the importance of obtaining unsteady local void fraction and interface velocities in liquid-vapor two-phase flows, an optical probe with a controlled tip geometry was developed and is described. In order to minimize the disturbances caused to the flow field by the presence of the probe, its dimensions have been miniaturized. The electronic and hydrodynamic responses of the probe were investigated experimentally. The probe was found to be sensitive to both the interface velocities and the phase present at the probe tip. A possible explanation for the behavior of the probe is presented. Within the velocity range checked and with proper calibration, the optical probe described can be used to determine both local void fractions and interface velocities.
Industrial market assessment of the products of mild gasification: Final report (1988)

The goal of this study is to determine the best available conditions, in terms of market volumes and prices, for the products from a mild gasification facility. A process feasibility study will then have to determine the cost of building and operating a facility to make those products. The study is presented as a summary of the options available to a coal producer for creating added product value. For this reason, three specific coal mines owned by AMAX Inc. were chosen, and the options were analyzed from the viewpoint of increasing the total revenue derived from those coals. No specific mild gasification, or mild devolatilization technology was assumed during the assessment. The analysis considers only product prices, volumes, and specifications. It does not assign any intangible value or national benefit to substituting coal for oil or to producing a cleaner fuel. Although it would be desirable to conceive of a product slate which would be immune from energy price fluctuations, such a goal is probably unattainable and no particular emphasis was placed on it. 76 figs., 75 tabs.
IoT-Based UPS Monitoring System Using MQTT Protocols (2018)

Uninterruptible power supply (UPS) monitoring system using message queuing telemetry transport (MQTT) protocol is a solution to solve UPS monitoring issues in a large infrastructure. This paper discusses the proof of the small size of message data by using the MQTT protocol on IoT-based communications. Based on IoT concept, the system described in this paper used Arduino microcontroller connected to the Internet via an Ethernet shield. The system used MQTT as a communication protocol that was designed for a lightweight communication. This system was intended to display UPS monitoring data in real-time on a web page stored on raspberry pi which roles as a web server, MQTT broker, MQTT subscriber and database. UPS parameter could be monitored using a web-based application. There were some differences in data obtained from sensor with the measurement results of measuring instruments specified for each parameter: the difference of input voltage was equal to 0.20%, while differences of output voltage, output power and output current reached 1.34%, 0.17% and 20%, respectively.
Effect of manganese and potassium addition on CeO2-Al2O3 catalyst for hydrogenation of benzoic acid to benzaldehyde (2009)

A series of Mn/CeO2-Al2O3 and K/CeO2-Al2O3 catalysts for hydrogenation of benzoic acid to benzaldehyde were prepared to in-vestigate the effect of Mn, K addition on CeO2-Al2O3 catalyst. X-ray diffraction (XRD) and H2-temperature-programmed reduction (H2-TPR) results suggested that the interaction between CeO2 and MnOx enhanced the reducibility of catalysts and therefore benzoic acid conversion.The addition of K increased the number of basic number on the catalyst which leads to a high selectivity to benzaldehyde, but excessive addition imposed negative effects on the catalyst performance. A Mn-K/CeO2Al2O3 catalyst was developed and investigated in the reaction. The simul-taneous addition of Mn and K enhanced not only the catalytic activity but also the capacity to resist the coke formation over catalyst.
Synthesis and Characterization of Fluorescent Pyrrolyldipyrrinato Sn(IV) Complexes (2011)

A series of neutral, 5-coordinate pyrrolyldipyrrinato Sn(IV) complexes have been synthesized via reaction of a pyrrolyldipyrrin, or its corresponding hydrochloride salt, with dibutyltin or diphenyltin oxide. The complexes are structurally unique in that all three nitrogen atoms of the pyrrolyldipyrrinato ligand bind to the tin center, making these complexes the first examples of pyrrolyldipyrrins behaving as LX(2) ligands. The complexes are highly fluorescent, exhibiting fluorescence quantum yields between 0.28 and 0.61, and display interesting preliminary biological activity.
Quantitative Sensomics Profiling of Hop-Derived Bitter Compounds Throughout a Full-Scale Beer Manufacturing Process (2010)

Although the complex taste profile of beer is well accepted to be reflected by the molecular blueprint of its sensometabolites, the knowledge available on the process-induced transformation of hop-derived phytochemicals into key sensometabolites during beer manufacturing is far from comprehensive. The objective of the present investigation was, therefore, to develop and apply a suitable HPLC-MS/MS method for the simultaneous and comprehensive quantitative monitoring of a total of 69 hop-derived sensometabolites in selected intermediary products throughout a full-scale beer manufacturing process. After data normalization, the individual sensometabolites were arranged into different clusters by means of agglomerative hierarchical analysis and visualized using a sensomics heatmap to verify the structure-specific reaction routes proposed for their formation during the beer brewing process.
Endogenous IFN-? and IL-18 production directly limit induction of type?2 immunityin vivo (2002)

Allergic diseases are associated with excessive type 2 immunity, yet the endogenous controls - if any - responsible for limiting induction of such responses remain unclear. Using IL-12-deficient mice, we recently showed that endogenous IL-12 is not essential for preventing development of allergic responses. Here, we examine the roles of endogenous IFN-gamma and IL-18 production in limiting the occurrence and severity of type 2 immunity. Lack of endogenous IFN-gamma synthesis results in significantly higher type 2 cytokine (IL-4, IL-5, IL-10 and IL-13) and chemokine (TARC) production following exogenous antigen exposure. Thus, IFN-gamma, but not IL-12, is a key negative regulator of the type 2 immune response. IL-18, in addition to its established role as an inducer of IFN-gamma, also negatively regulates CD4(+) T cell-derived IL-4 synthesis via an IFN-gamma-independent mechanism, thereby further limiting the development of type 2 immune responses. Together, these results identify endogenous IFN-gamma and IL-18 as potent, independent, negative regulators of the development of type 2 immunity to ubiquitous environmental antigens.
Epidermal growth factor stimulates the restitution of rat gastric mucosa in vitro (1995)

Epidermal growth factor (EGF) is mitogenic to gastric mucosal cells, protects against gastric mucosal injury induced by ulcerogenic agents, and stimulates cell migration in many systems. Restitution, the rapid re-establishment of mucosal integrity following damage, involves epithelial cell migration and can be monitored by measuring the transmucosal potential difference (PD) of tissue mounted in an Ussing chamber. The role of EGF in restitution is poorly characterized. To assess the effect of exogenous EGF on restitution, samples of rat gastric mucosa were mounted in an Ussing chamber with a solution of 10 nM EGF bathing either the mucosal or serosal surface. Matched control tissues from the same animals were untreated. Mucosal damage was induced by exposure of tissues to hyperosmolar sodium chloride. Restitution following injury was monitored by measuring the recovery of transmucosal PD, which reflects the degree of mucosal integrity. Undamaged mucosa maintained a PD of approximately -30 mV for several hours (mucosa negative with respect to serosa). Mucosal exposure to 1.2 M NaCl for 2 min reduced the PD to near 0 mV. Thereafter, the PD returned in approximately 60 min to plateau at a value representing maximal recovery. Tissues mucosally treated with 10 nM EGF recovered following damage to a maximum of 60.2 +/- 5.1% of pre-exposure PD, while matched controls recovered to only 46.2 +/- 5.8%, a significant difference. Tissues serosally treated with EGF recovered to 61.0 +/- 3.2% and matched controls recovered to 51.1 +/- 2.9%, also a significant difference. These results suggest that both serosally and mucosally applied EGF stimulates the restitution of rat gastric mucosa in vitro.
Biomechanics of Ocular Pneumoplethysmography (1993)

A mathematical analysis of ocular pneumoplethysmography is presented, based on the physiological, anatomical, and biomechanical properties of the eye. Ocular pneumoplethysmography is a clinical procedure involving elevation of intraocular pressure, by application of a suction cup to the sclera, to a level that exceeds ophthalmic artery systolic pressure. As decay in intraocular pressure is allowed, return of retinal artery pulsations indicates ophthalmic artery systolic pressure. We obtain a quantitative relationship between increase in intraocular pressure and applied vacuum, and compare the theoretical predictions with experiments on rabbits in which a variable descending vacuum was applied to bilateral scleral eyecups. The bilateral intraocular pressures were simultaneously recorded from cannulae in the respective vitreous bodies, and the pressures at which return of ocular pulsations were observed were correlated with the scleral vacuums. Regression lines were calculated for three serial determinations in each animal, with two groups of animals distinguished by the inner diameter of the eyecups used. The theoretical results indicate that the relationship between intraocular pressure increase and applied vacuum is independent of Young's modulus, and depends primarily on the ratio of the diameter of the vacuum cup to the diameter of the eye.
Development of Novel ADCs: Conjugation of Tubulysin Analogues to Trastuzumab Monitored by Dual Radiolabeling (2014)

Tubulysins are highly toxic tubulin-targeting agents with a narrow therapeutic window that are interesting for application in antibody-drug conjugates (ADC). For full control over drug-antibody ratio (DAR) and the effect thereof on pharmacokinetics and tumor targeting, a dual-labeling approach was developed, wherein the drug, tubulysin variants, and the antibody, the anti-HER2 monoclonal antibody (mAb) trastuzumab, are radiolabeled. (131)I-radioiodination of two synthetic tubulysin A analogues, the less potent TUB-OH (IC50 > 100 nmol/L) and the potent TUB-OMOM (IC50, ~1 nmol/L), and their direct covalent conjugation to (89)Zr-trastuzumab were established. Radioiodination of tubulysins was 92% to 98% efficient and conversion to N-hydroxysuccinimide (NHS) esters more than 99%; esters were isolated in an overall yield of 68% ± 5% with radiochemical purity of more than 99.5%. Conjugation of (131)I-tubulysin-NHS esters to (89)Zr-trastuzumab was 45% to 55% efficient, resulting in ADCs with 96% to 98% radiochemical purity after size-exclusion chromatography. ADCs were evaluated for their tumor-targeting potential and antitumor effects in nude mice with tumors that were sensitive or resistant to trastuzumab, using ado-trastuzumab emtansine as a reference. ADCs appeared stable in vivo. An average DAR of 2 and 4 conferred pharmacokinetics and tumor-targeting behavior similar to parental trastuzumab. Efficacy studies using single-dose TUB-OMOM-trastuzumab (DAR 4) showed dose-dependent antitumor effects, including complete tumor eradications in trastuzumab-sensitive tumors in vivo. TUB-OMOM-trastuzumab (60 mg/kg) displayed efficacy similar to ado-trastuzumab emtansine (15 mg/kg) yet more effective than trastuzumab. Our findings illustrate the potential of synthetic tubulysins in ADCs for cancer treatment.
TaskInsight: A Fine-Grained Performance Anomaly Detection and Problem Locating System (2016)

Performance anomaly is one of the key issues to threaten the Quality of Service of the applications in cloud. However, the complexities and consolidation of application, the fluctuation of workload or other factors make the anomaly detection a burdensome task. Traditional solutions exploit the metrics at system level to detect the anomaly. However, system level metrics are too coarse to remedy the fluctuation and locate the real root cause. In this paper, we present a system called TaskInsight, which could detect performance anomaly and locate the problem at a fine-grained task level in a black-box fashion. It leverages unsupervised clustering approach cooperated with the multitasking type to induce the normal resource usage behavior patterns from historical data. The evaluation result shows that TaskInsight can detect the common performance anomaly precisely. Furthermore, it could easily locate the malicious or anomalous task. In multi-process condition, the detection precision could reach 90% on average.
Comparison of the diagnostic accuracy of commercial NS1-based diagnostic tests for early dengue infection (2010)

The simultaneous detection of NS1/IgM/IgG would be potentially useful for dengue diagnosis in both endemic and non endemic areas. A negative result does not rule out dengue. Further studies are required to assess the performance and impact of early laboratory diagnosis of dengue in the routine clinical setting.
Involvement of Insulin-like Growth Factor-I and Insulin-like Growth Factor Binding Protein-3 in Corneal Fibroblasts during Corneal Wound Healing (2006)

These results suggest that during corneal wound healing, TGF-beta stimulates IGF axis components, whereas IGFBP-3 may modulate IGF-I-induced myofibroblast proliferation to suppress corneal mesenchymal overgrowth.
Term clustering of syntactic phrases (1989)

Term clustering and syntactic phrase formation are methods for transforming natural language text. Both have had only mixed success as strategies for improving the quality of text representations for document retrieval. Since the strengths of these methods are complementary, we have explored combining them to produce superior representations. In this paper we discuss our implementation of a syntactic phrase generator, as well as our preliminary experiments with producing phrase clusters. These experiments show small improvements in retrieval effectiveness resulting from the use of phrase clusters, but it is clear that corpora much larger than standard information retrieval test collections will be required to thoroughly evaluate the use of this technique.
Substrate Specificity of a Nucleotide Pyrophosphatase Responsible for the Breakdown of 3′-Phosphoadenosine 5′-Phosphosulfate (PAPS) from Human Placenta1 (1983)

The membrane-bound enzyme responsible for the breakdown of 3'-phosphoadenosine 5'-phosphosulfate (PAPS) has been purified 1,900-fold from detergent-solubilized human placenta, using chromatographies on Con A-Sepharose, Blue Sepharose, AMP-Agarose, and Sepharose CL-6B, and sucrose density gradient centrifugation. The enzyme required Mg2+ and showed the optimum activity at pH 9.4. The preparation was free of alkaline phosphatase [EC 3.1.3.1], phosphodiesterase [EC 3.1.4.1], and 5'-nucleotidase [EC 3.1.3.5] activities, which enabled investigation of the substrate specificity and kinetic properties of the enzyme without interference by secondary reactions due to the above activities. The enzyme cleaved the pyrophosphate linkages of NAD and various sugar nucleotides and the phosphodiester linkage of p-nitrophenyl-thymidine 5'-monophosphate (PNTP), as well as the phosphosulfate linkages of PAPS and its biosynthetic precursor, adenosine 5'-phosphosulfate (APS), with apparent Km values of 0.12-0.33 mM. Relative activities towards PNTP and PAPS did not change during the purification procedures starting from the homogenate. This, together with the data of kinetic studies using two substrates simultaneously, led us to conclude that the activities towards all the substrates tested were due to one and the same nucleotide pyrophosphatase.
Study on Simulation Method of the Smoke-dust in Nuclear Decommissioning Virtual Simulation (2011)

In nuclear facilities decommissioning virtual simulation system, simulating the behavior of radioactive smoke-dust is important to the facticity of virtual scene, which is useful to reflect the distribution of radioactive nuclide and radiation dose. Based on three-dimensional numerical calculation, simulating transportation of smoke-dust can be realized. In this research, the corresponding mathematical model was studied firstly, and then the semi-Lagrangian method was used to solve the equations. In the process of solving equations, a splitting-approach was adopted to achieve the component equations, and then the semi-Lagrangian method was used to solve both transient and convection terms. The projection algorithm constraint-based was adopted to solve the pressure equation for incompressible fluid. This study realized a test program, which simulate the t hree-dimensional flow field and distribution of smoke-dust concentrations. The stable and fast solution can be achieved by using the method described in this paper . Furthermore, for improving the performance of simulation program, we implement a new program based on the programmable GPU and the new graphics API. This paper studied a kind of simulation method for simulating the smoke-dust in n uclear d ecommissioning process.
(<i>E</i>)-4-(Nicotinoylhydrazono)pentanoic acid (2007)

The mol­ecules of the title compound, C11H13N3O3, are linked by O—H⋯N and N—H⋯O inter­actions into a linear hydrogen-bonded chain.
Metal‐Combining Properties of Human Lactoferrin (1972)

By means of a Spectrophotometric titration method it was found that six of the tyrosyl residues of the metal‐binding proteins lactoferrin and transferrin were titratable by alkali in the metal‐free proteins but not in their iron protein complexes, suggesting the involvement of three tyrosyl groups in each of the two binding sites present in these proteins. Seemingly discordant estimates of the number of binding tyrosyls were obtained using the difference spectra of the lactoferrin · Tb 3+ vs lactoferrin, lactoferrin · Fe 3+ vs lactoferrin, transferrin · Tb 3+ vs transferrin or transferrin · Fe 3+ vs transferrin. However, such discrepancies as were found could be explained in the light of the ligand‐field theory and need not invalidate the conclusions based on alkali‐titration data.
Assembly Properties of an Alanine‐Rich, Lysine‐Containing Peptide and the Formation of Peptide/Polymer Hybrid Hydrogels (2010)

We are interested in developing peptide/polymer hybrid hydrogels that are chemically diverse and structurally complex. Towards this end, an alanine-based peptide doped with charged lysines with a sequence of (AKA(3)KA)(2) (AK2) was selected from the crosslinking regions of the natural elastin. Pluronic(®) F127, known to self-assemble into defined micellar structures, was employed as the synthetic building blocks. Fundamental investigations on the environmental effects on the secondary structure and assembly properties of AK2 peptide were carried out with or without the F-127 micelles. At a relatively low peptide concentration (~0.5 mg/mL), the F127 micelles are capable of not only increasing the peptide helicity but also stabilizing it against thermal denaturation. At a higher peptide concentration in basic media, the AK2 peptide developed a substantial amount of β-sheet structure that is conducive to the formation of nanofibrils. The fibril formation was confirmed collectively by atomic force microscopy (AFM), small angle neutron scattering (SANS) and transmission electron microscopy (TEM). The assembly kinetics is strongly dependent on solution temperature and pH; an increased temperature and a more basic environment led to faster fibril assembly. The self-assembled nanoscale structures were covalently interlocked via the Michael-type addition reaction between vinyl sulfone-decorated F127 micelles and the lysine amines exposed at the surface of the nanofibers. The crosslinked hybrid hydrogels were viscoelastic, exhibiting an elastic modulus of approximately 17 kPa and a loss tangent of 0.2.
CYP3A4 allelic variants with amino acid substitutions in exons 7 and 12: Evidence for an allelic variant with altered catalytic activity (2000)

These are the first examples of potential function polymorphisms resulting from missense mutations in the CgammaP3A4 gene. The CgammaP3A4*2 allele was found to encode a P450 with substrate-dependent altered kinetics compared with the wild-type P450.
Stress, Sheet Resistance, and Microstructure Evolution of Electroplated Cu Films During Self-Annealing (2009)

Electroplated copper films are known to change their microstructure due to the self-annealing effect. The self-annealing effect of electroplated copper films was investigated by measuring the time dependence of the film stress and sheet resistance for different layer thicknesses between 1.5 and 20 ¿m. While the sheet resistance was found to decrease as time elapsed, a size-dependent change in film stress was observed. Films with the thickness of 5 ¿m and below decrease in stress, while thicker films initially reveal an increase in film stress followed by a stress relaxation at a later stage. This behavior is explained by the superposition of grain growth and grain-size-dependent yielding.
Endo180, an endocytic recycling glycoprotein related to the macrophage mannose receptor is expressed on fibroblasts, endothelial cells and macrophages and functions as a lectin receptor (2000)

Endo180 was previously characterized as a novel, cell type specific, recycling transmembrane glycoprotein. This manuscript describes the isolation of a full length human Endo180 cDNA clone which was shown to encode a fourth member of a family of proteins comprising the macrophage mannose receptor, the phospholipase A(2) receptor and the DEC-205/MR6 receptor. This receptor family is unusual in that they contain 8-10 C-type lectin carbohydrate recognition domains in a single polypeptide backbone, however, only the macrophage mannose receptor had been shown to function as a lectin. Sequence analysis of Endo180 reveals that the second carbohydrate recognition domain has retained key conserved amino acids found in other functional C-type lectins. Furthermore, it is demonstrated that this protein displays Ca(2+)-dependent binding to N-acetylglucosamine but not mannose affinity columns. In order to characterize the physiological function of Endo180, a series of biochemical and morphological studies were undertaken. Endo180 is found to be predominantly expressed in vivo and in vitro on fibroblasts, endothelial cells and macrophages, and the distribution and post-translational processing in these cells is consistent with Endo180 functioning to internalize glycosylated ligands from the extracellular milieu for release in an endosomal compartment.