gebhart/patrepeval huggingface dataset:
Theoretical Studies of Diels-Alder Reaction (Part II). A New United Ionic-Radical Mechanism of Diels-Alder Reaction (1973)

The purpose of this paper is to investigate the mechanism of Diels-Alder reaction by assuming pseudo molecular complex (PMC) which has characters both of ionic and radical bonds. We treated this complex quantum-chemically as an intermediate between the configuration without charge transfer (radical bond character) and the configuration corresponding to the charge transfer from Diene (R) to Dienophile (S) (ionic bond character). The wave function for the complex could be expressed as: where is the extent of charge transfer which is a constant to measure the ionic character of PMC. It has been noticed thatis related to the difference between Fr + Fr' and Fs + Fs' in free valence (F) when R is united to S through atom r in R to atom s in S and atom r' in R to atom s' in S, That is, . We have calculated values for more than forty Diels-Alder reactions. The calculated values of is reversely proportional to the values of Brown's paralocalization energy (Lp) as well as Dewar's differences of delocalization energy with good linearity. This approach also presents a way of predicting the possibility and the easiness of diene synthesis between any two conjugate compounds. According to the considerations, it could be concluded that Diels-Alder reaction takes place through the united ionic-radical mechanism rather than the separated ionic or radical mechanism.
Visualising Crime Clusters in a Space-time Cube: An Exploratory Data-analysis Approach Using Space-time Kernel Density Estimation and Scan Statistics (2010)

For an effective interpretation of spatio-temporal patterns of crime clusters/hotspots, we explore the possibility of three-dimensional mapping of crime events in a space-time cube with the aid of space-time variants of kernel density estimation and scan statistics. Using the crime occurrence dataset of snatch-and-run offences in Kyoto City from 2003 to 2004, we confirm that the proposed methodology enables simultaneous visualisation of the geographical extent and duration of crime clusters, by which stable and transient space-time crime clusters can be intuitively differentiated. Also, the combined use of the two statistical techniques revealed temporal inter-cluster associations showing that transient clusters alternatively appeared in a pair of hotspot regions, suggesting a new type of “displacement” phenomenon of crime. Highlighting the complementary aspects of the two space-time statistical approaches, we conclude that combining these approaches in a space-time cube display is particularly valuable for a spatio-temporal exploratory data analysis of clusters to extract new knowledge of crime epidemiology from a data set of space-time crime events.
Spontaneous Air-Driven Separation in Vertically Vibrated Fine Granular Mixtures (2002)

We report the observation of the spontaneous separation of vertically vibrated mixtures of fine bronze and glass spheres of similar diameters. At low frequencies and at sufficient vibrational amplitudes, a sharp boundary forms between a lower region of glass and an upper region of the heavier bronze. The boundary undergoes various oscillations, including periodic tilting motion, but remains extremely sharp. At higher frequencies, the bronze separates as a mid-height layer between upper and lower glass regions, and the oscillations are largely absent. The mechanism responsible for the separation can be traced to the effect of air on the granular motion.
Partial hepatectomy induces delayed hepatocyte proliferation and normal liver regeneration in ovariectomized mice (2015)

Estrogens play central roles in sexual development, reproduction, and hepatocyte proliferation. The ovaries are one of the main organs for estradiol (E2) production. Ovariectomies (OVXs) were performed on the female mice, and hepatocyte proliferation was analyzed. The ovariectomized mice exhibited delayed hepatocyte proliferation after partial hepatectomy (PH) and also exhibited delayed and reduced E2 induction. Both E2 administration and PH induced the gene expression of estrogen receptor α (ERα). The transcripts of ERα were detected specifically in periportal hepatocytes after E2 administration and PH. Moreover, the E2 concentrations and hepatocyte proliferation rates were highest in the proestrus period of the estrous cycle. Taken together, these findings indicate that E2 accelerated ERα expression in periportal hepatocytes and hepatocyte proliferation in the female mice.
Reactions of Metal Salts Human Hair Containing Synthetic Polymer with (1971)

Synopsis--Human HAIR FIBERS containing synthetic POLYMER with functional groups capable of acting as donor groups in coordination complexes were reacted with METAL SALTS (acceptor groups) and examined for changes in the wet load extersion properties. Mercury(II), a particularly effective acceptor group in this system, was found to produce cxtremely large increases in the wet load EXTENSION PROPERTIES of hair fibers con- taining either a tertiary amine polymer, an alcohol polymer, or a nitrile polymer.
Immunopharmacological effects of Kampo medicines (2008)

漢方薬は様々なタイプに分類されるが，補中益気湯（ほちゅうえっきとう）や人参養栄湯（にんじんようえいとう）のような補益剤（ほえきざい）は，西洋薬には同種のものが存在しない，その一つの分類である．補益剤は貧血，食欲不振，疲労倦怠，慢性疾患による体力低下などを伴う患者に使用されている．補益剤は免疫薬理作用を有していて，種々の病態改善作用の主要なメカニズムと考えられている．制がん剤投与や放射線照射したマウスにおいて，補中益気湯や人参養栄湯は，造血幹細胞の増殖を促進して，白血球減少症を回復させる．人参養栄湯は血小板や赤血球系前駆細胞の回復も促進する．一方，補中益気湯は腸管上皮間リンパ球からのインターフェロンγ産生によりマクロファージを活性化して細菌感染からマウスを守る．また，ヘルパーT細胞タイプ2を誘導する免疫をしたマウスの抗原特異的イムノグロブリンEやインターロイキン4産生を抑制する．この効果がアトピー性皮膚炎治療の有効性の根拠になっている．人参養栄湯は自己免疫異常の調節効果で自己免疫マウスを著しく生存延長する．その他，補中益気湯ではストレス負荷や幼若マウスでの感染抵抗性低下の改善作用，人参養栄湯の肝線維化や間質性肺炎の改善作用なども示されている．以上の様に補益剤は免疫のアンバランスにより感染，アレルギー，自己免疫などになり易い状態を修正する効果がある．
Analytical isoelectric focusing of R factor-determined beta-lactamases: correlation with plasmid compatibility (1976)

R factor-determined beta-lactamases have been investigated by analytical isoelectric focusing. The enzymes such as those specified by the R6K and RP4 plasmids (TEM-type enzymes) are notably homogenous in biochemical tests (Hedges et al., 1974), but two subclasses can be distinguished by isoelectric focusing. Three subclasses can be distinguished among the oxacillin-hydrolyzing enzymes, in good agreement with the classification based upon biochemical characteristics (Dale and Smith, 1974). The TEM-type beta-lactamases are promiscuously distributed among plasmids of a wide variety of compatibility groups, whereas the various oxacillin-hydrolyzing enzymes show some degree of correlation with compatibility.
Efficient Organic Photovoltaic Cells Based on Nanocrystalline Mixtures of Boron Subphthalocyanine Chloride and C<sub>60</sub> (2011)

Abstract The electrical and structural behavior of uniformly mixed films of boron subphthalocyanine chloride (SubPc) and C 60 and their performance in organic photovoltaic cells is explored. Device performance shows a strong dependence on active‐layer donor–acceptor composition, and peak efficiency is realized at 80 wt.% C 60 . The origin of this C 60 ‐rich optimum composition is elucidated in terms of morphological changes in the active layer upon diluting SubPc with C 60 . While neat SubPc is found to be amorphous, mixed films containing 80 wt.% C 60 show clear nanocrystalline domains of SubPc. Supporting electrical characterization indicates that this change in morphology coincides with an increase in the hole mobility of the SubPc:C 60 mixture, with peak mobility observed at a composition of 80 wt.% C 60 . Organic photovoltaic cells constructed using this optimum SubPc:C 60 ratio realize a power conversion efficiency of (3.7 ± 0.1)% under 100 mW cm −2 simulated AM1.5G solar illumination.
Roles of sympathetic nervous system in the suppression of cytotoxicity of splenic natural killer cells in the rat. (1993)

1. We previously demonstrated that a central injection of interferon-alpha in rats induced a suppression of cytotoxicity of splenic natural killer cells which depended upon intact splenic sympathetic innervation, suggesting the important role of the splenic nerve in immunosuppression. To further study the mechanisms of this phenomenon, we investigated: (1) the effects of a central injection of recombinant human interferon-alpha on the electrical activity of the splenic nerve, and (2) the responses of splenic natural killer cytotoxicity on the electrical stimulation of the splenic nerve in urethane with alpha-chloralose anaesthetized rats. 2. An injection of recombinant human interferon-alpha (1.5 x 10(3) and 6.0 x 10(3) units (u) per rat) into the third cerebral ventricle produced a sustained and long lasting (at least for more than 60 min) increase in the electrical activity of splenic sympathetic nerve filaments in a dose-dependent manner. Following an intra-third-ventricular injection of recombinant human interferon-alpha at a dose of 6.0 x 10(3) u, the efferent discharges were elevated 2-6 times that of the pre-injection level with a mean onset latency of 12 min (8-16 min). No changes in the arterial blood pressure and body temperature were observed after injections of recombinant human interferon-alpha. 3. The excitation of the nerve activity induced by intra-ventricular recombinant human interferon-alpha was reversibly suppressed by an intravenous injection of an opioid antagonist, naloxone (1 mg/kg in 0.1 ml saline), whereas the injection of naloxone alone did not affect either the baseline level of the nerve activity or the systemic blood pressure. 4. The cytotoxicity of natural killer cells in the spleen measured by a standard chromium release assay was reduced 20 min after the laparotomy alone in anaesthetized rats. The reduced natural killer activity then recovered significantly when the splenic nerve was cut immediately after the laparotomy. When the peripheral cut end of the splenic nerve was subsequently stimulated (0.5 mA, 0.5 ms, 20 Hz for 20 min), a further suppression of natural killer cytotoxicity was observed. 5. The reduction of natural killer cytotoxicity produced by the stimulation of the splenic nerve was completely blocked by an intravenous injection of nadolol (a peripherally acting beta-adrenergic receptor antagonist), but not by that of prazosin (an alpha-antagonist). 6. These results indicate that a central injection of recombinant human interferon-alpha activates the splenic sympathetic nerve through brain opioid receptors and thereby suppresses the natural killer cytotoxicity by beta-adrenergic mechanisms.(ABSTRACT TRUNCATED AT 400 WORDS)
The Study and Methodology of Defects Isolation For Contacts of Non-Isolated Active Region on New Logic Designs (2005)

Abstract With the advancement in technology and lower operating voltage, new standards have evolved in circuit layout and design. Some of these new standards have increased the difficulties of the physical failure analysis process, especially on the front-end. The phenomenon described in this paper is the unusual voltage contrast (VC) and conductive atomic force microscope (C-AFM) curve on a non-isolated active region. The model and mechanism are demonstrated for front-end failure analysis. Based on this, the solution for analysis is investigated.
A Convergent Synthesis of the Cardenolide Skeleton:  Intramolecular Aldol Condensation via Reduction of α-Bromoketones (2002)

Synthesis of the highly biologically valuable cardenolide backbone was achieved via anionic polycyclization. Bromoketone 18, obtained from double-Michael cycloaddition between cyclohexenone 14 and gamma,delta-unsaturated beta-ketoester 16, was efficiently aldolized under reductive conditions. The highly functionalized tetracyclic compound 52 is an important synthetic intermediate that is potentially amenable to natural cardenolide total synthesis.
<b>Signal transduction via the histidyl‐aspartyl phosphorelay</b> (1997)

The histidyl-aspartyl phosphorelay, formerly described as the two-component system, is the predominant mode of signal transduction in bacteria. Adaptation to environmental changes occurs through a sensor histidine protein kinase and a response regulator. The histidine protein kinase is usually a transmembrane receptor and the response regulator is a cytoplasmic protein. Together the histidyl-aspartyl phosphorelay proteins mediate reversible phosphorylation events that control downstream effectors. Following autophosphorylation at a conserved histidine residue, the histidine kinase serves as a phospho-donor for the response regulator. Once phosphorylated, the response regulator mediates changes in gene expression or cellular locomotion. The EnvZ-OmpR phosphorelay system in Escherichia coli, which monitors external osmolarity and responds by differentially modulating the expression of the OmpF and OmpC major outer membrane porins, will be described as a model system. While histidine kinases were thought to be present only in prokaryotes, they have recently been identified in eukaryotic systems. Here, we review the unique and conserved features of this growing family of signal transducers.
Clobazam: A Safe, Efficacious, and Newly Rediscovered Therapeutic for Epilepsy (2015)

Clobazam is an oral 1,5-benzodiazepine used worldwide for the treatment of many types of epilepsies, although it is currently only approved for Lennox-Gastaut syndrome in the USA. This anticonvulsant and anxiolytic therapeutic has repeatedly demonstrated great efficacy and a high safety profile in refractory epilepsy as well as in a few monotherapy trials in both children and adults. Clobazam allosterically activates the GABAA receptor, and it binds less to subunits that mediate sedative effects than other benzodiazepines. It acts quickly, maintaining a therapeutic effect for a long duration due to its active metabolite, N-desmethylclobazam. Dosage is between 5 mg and 40 mg a day, depending on patient weight, efficacy, and tolerability. Efficacy tolerance has not been a problem in the best studies. Clobazam has provided many benefits to epileptic patients. It should be used by clinicians early as an adjuvant therapy in the treatment of refractory epilepsy and even considered as monotherapy in a broad spectrum of epilepsy syndromes.
Synthesis of Thiophene‐Based Optical Ligands That Selectively Detect Tau Pathology in Alzheimer's Disease (2017)

The accumulation of protein aggregates is associated with many devastating neurodegenerative diseases and the development of molecular ligands able to detect these pathological hallmarks is essential. Here, the synthesis of thiophene based optical ligands, denoted bi-thiophene-vinyl-benzothiazoles (bTVBTs) that can be utilized for selective assignment of tau aggregates in brain tissue with Alzheimer's disease (AD) pathology is reported. The ability of the ligands to selectively distinguish tau deposits from the other AD associated pathological hallmark, senile plaques consisting of aggregated amyloid-β (Aβ) peptide, was reduced when the chemical composition of the ligands was altered, verifying that specific molecular interactions between the ligands and the aggregates are necessary for the selective detection of tau deposits. Our findings provide the structural and functional basis for the development of new fluorescent ligands that can distinguish between aggregated proteinaceous species consisting of different proteins. In addition, the bTVBT scaffold might be utilized to create powerful practical research tools for studying the underlying molecular events of tau aggregation and for creating novel agents for clinical imaging of tau pathology in AD.
The application of computer graphics to environmental planning (1980)

The emerging field of environmental planning has relied heavily on computer technology - especially computer graphics - as a necessary tool in the study of problems such as air and water pollution , toxic wastes, and land use. This reliance increased greatly during the last decade, and is likely to further mature in the eighties. BASIS, a geographic information system developed for environmental planning in the San Francisco Bay Area, is used as an example of an existing system incorporating new technologies.
<title>Volumetric analysis of abdominal aortic aneurysm</title> (1996)

The purpose of this study was to develop a valid, reliable and accurate system of measurement of abdominal aortic aneurysms, using volumetric analysis of x-ray computed tomographic data. This study evaluates illustrative cases, and compares measurements of AAA phantoms, using standard 2D versus volumetric methods. To validate the volumetric analysis, four phantom aneurysms were constructed in a range of diameters (4.5 - 7.0 cm) which presents the greatest management challenge to the clinician. These phantoms were imaged using a Toshiba Xpress SX helical CT. Separate scans were obtained at conventional (10 mm X 10 mm) and thin slice (5 mm X 5 mm) collimations. The thin slices were reconstructed at 2 mm intervals. Data from each of the 96 scans were interpreted using a standard 2D approach, then analyzed using task-oriented volumetric software. We evaluate patient assessments, and compare greatest outer diameters of phantoms, by standard versus volumetric methods. Qualitative differences between solutions based on standard versus volumetric analysis of illustrative patient cases are substantial. Expert radiologists' standard measurements of phantom aneurysms are highly reliable (r<SUP>2</SUP> equals 0.901 - 0.958; p < 0.001), but biased toward significant overestimation of aneurysm diameters in the range of clinical interest. For the same phantoms, volumetric analysis was both more reliable (r<SUP>2</SUP> equals 0.986 - 0.996; p < 0.001), and more accurate, with no significant bias in the range of interest. Volumetric analysis promotes selection of more valid management strategies, by providing vital information not otherwise available, and allowing more reliable and accurate assessment of abdominal aortic aneurysms. It is particularly valuable in the presence of aortic tortuosity, vessel eccentricity, and uncertain involvement of critical vessels.
Adsorbed Oxygen as an Amorphous Antiferromagnetic System (1977)

Oxygen adsorbed on porous Vycor glass, a heterogeneous substrate, displays properties of an amorphous antiferromagnet. However, no antiferromagnetic ordering transition is seen for submonolayer coverages in the temperature range studied (1.9-95 K) although these coverages have paramagnetic Curie temperatures as large as -50 K.
Effect of staurosporine on histamine release from rat serosal mast cells. (1989)

Rat serosal mast cells were challenged with compound 48/80 or calcium ionophore A23187 and the effect of staurosporine, a new inhibitor of protein kinase C, on histamine release from the cells was investigated. Histamine release induced by compound 48/80 or calcium ionophore A23187 was inhibited by staurosporine in a concentration-dependent manner and 0.1 and 1 microM staurosporine inhibited the histamine release significantly. The inhibitory effect of K-252a, another novel protein kinase C-inhibitor, was significantly higher than that of staurosporine on calcium ionophore A23187-induced histamine release. These results suggest that protein kinases will be involved in the process during mediator release from rat serosal mast cells.
Introduction to Software Product Line Adoption (2006)

The tremendous benefits of taking a software product line approach are well documented. Organizations have achieved significant reductions in cost and time to market and, at the same time, increased the quality of families of their software systems. However, to date, there are considerable barriers to organizational adoption of product line practices. Phased adoption is attractive as a risk reduction and fiscally viable proposition. This tutorial describes a phased, pattern-based approach to software product line adoption. A phased adoption strategy is attractive as a risk reduction and fiscally viable proposition. The tutorial begins with a discussion of software product line adoption issues and then presents the Adoption Factory pattern. The Adoption Factory pattern provides a roadmap for phased, product line adoption. The tutorial covers the Adoption Factory in detail, including focus areas, phases, subpatterns, related practice areas, outputs, and roles. Examples of product line adoption plans following the pattern are used to illustrate its utility. The tutorial also describes strategies for creating synergy within an organization between product line adoption and ongoing CMMI or other improvement initiatives.
A comparison of two analytical systems for 3-D reconstruction from biplane videoradiograms (2003)

The authors compare the accuracy and reproducibility of two systems for measuring three-dimensional motions of the human heart from biplane videoradiograms of surgically inserted radiopaque markers. System 1 uses orthogonal imaging systems with coincident perpendicular central rays and a modified parallel-ray approximation. System 2 uses a mathematical determination of the geometry of the imaging systems each time a sequence is recorded. Accuracy of the calculated lengths, expressed as mean percentage error of a series of known lengths, is <0.7% for system 1 and 0.2% for system 2; reproducibility is 3.1% for system 1 and 1.0% for system 2. In both systems, reproducibility is limited by resolution of the imaging-recording-digitizing chain. The authors conclude that both systems could be improved by increasing the effective digitizer resolution, either by making the image larger or by using digitizing hardware with greater resolution, or both. Because system 2 provides improved accuracy and reproducibility and geometrical alignment requirements are minimal, it has been selected for biplane image data acquisition and three-dimensional reconstructions.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Plasmid DNA entry into postmitotic nuclei of primary rat myotubes. (1995)

These studies were initiated to elucidate the mechanism of DNA nuclear transport in mammalian cells. Biotin- or gold-labeled plasmid and plasmid DNA expression vectors for Escherichia coli beta-galactosidase or firefly luciferase were microinjected into the cytoplasm of primary rat myotubes in culture. Plasmid DNA was expressed in up to 70% of the injected myotubes, which indicates that it entered intact, postmitotic nuclei. The nuclear transport of plasmid DNA occurred through the nuclear pore by a process common to other large karyophilic macromolecules. The majority of the injected plasmid DNA was sequestered by cytoplasmic elements. This understanding of plasmid DNA nuclear transport provides a basis for increasing the efficiency of gene transfer.