gebhart/patrepeval huggingface dataset:
2D-QSAR model development and analysis on variant groups of anti -tuberculosis drugs (2011)

A quantitative structure activity relationship study was performed on different groups of anti-tuberculosis drug compound for establishing quantitative relationship between biological activity and their physicochemical /structural properties. In recent years, a large number of herbal drugs are promoted in treatment of tuberculosis especially due to the emergence of MDR (multi drug resistance) and XDR (extensive drug resistance) tuberculosis. Multidrug-resistant TB (MDR-TB) is resistant to front-line drugs (isoniazid and rifampicin, the most powerful anti-TB drugs) and extensively drug-resistant TB (XDR-TB) is resistant to front-line and second-line drugs. The possibility of drug resistance TB increases when patient does not take prescribed drugs for defined time period. Natural products (secondary metabolites) isolated from the variety of sources including terrestrial and marine plants and animals, and microorganisms, have been recognized as having antituberculosis action and have recently been tested preclinically for their growth inhibitory activity towards Mycobacterium tuberculosis or related organisms. A quantitative structure activity relationship (QSAR) studies were performed to explore the antituberculosis compound from the derivatives of natural products . Theoretical results are in accord with the in vitro experimental data with reported growth inhibitory activity towards Mycobacterium tuberculosis or related organisms. Antitubercular activity was predicted through QSAR model, developed by forward feed multiple linear regression method with leave-one-out approach. Relationship correlating measure of QSAR model was 74% (R(2) = 0.74) and predictive accuracy was 72% (RCV(2) = 0.72). QSAR studies indicate that dipole energy and heat of formation correlate well with anti-tubercular activity. These results could offer useful references for understanding mechanisms and directing the molecular design of new lead compounds with improved anti-tubercular activity. The generated QSAR model revealed the importance of structural, thermodynamic and electro topological parameters. The quantitative structure activity relationship provides important structural insight in designing of potent antitubercular agent.
Effects of incline and speed on the three-dimensional hindlimb kinematics of a generalized iguanian lizard (<i>Dipsosaurus dorsalis</i>) (1999)

Lizards commonly move on steep inclines in nature, but no previous studies have investigated whether the kinematics of the limbs of lizards differ on inclined surfaces compared with level surfaces. Therefore, we examined how the kinematics of the hindlimb were affected by both incline (downhill 30 degrees, level and uphill 30 degrees) and different speeds of steady locomotion (50-250 cm s-1) in the morphologically generalized iguanian lizard Dipsosaurus dorsalis. On the uphill surface, the strides of lizards were shorter and quicker than those at a similar speed on the level and downhill surfaces. A multivariate analysis revealed that the kinematics of locomotion on all three inclines were distinct, but several kinematic features of locomotion on the downhill surface were especially unique. For example, downhill locomotion had the lowest angular excursions of femur rotation, and the knee and ankle were flexed more at footfall which contributed to a very low hip height. For D. dorsalis, changes in knee and ankle angles on the uphill surface were similar to those described previously for mammals moving up inclines, despite fundamental differences in limb posture between most mammals and lizards. Several features of the kinematics of D. dorsalis suggest that a sprawling limb enhances the ability to move on inclines.
Specific lipofuscin staining as a novel biomarker to detect replicative and stress-induced senescence. A method applicable in cryo-preserved and archival tissues (2012)

There is shortage of extensive clinicopathologic studies of cellular senescence because the most reliable senescence biomarker, the detection of Senescence-Associated-beta-galactosidase activity (SA-β-gal), is inapplicable in archival material and requires snap-frozen tissues. We validated the histochemical Sudan-Black-B (SBB) specific stain of lipofuscin, an aggregate of oxidized proteins, lipids and metals, known to accumulate in aged tissues, as an additional reliable approach to detect senescent cells independently of sample preparation. We analyzed cellular systems in which senescence was triggered by replicative exhaustion or stressful stimuli, conditional knock-in mice producing precancerous lesions exhibiting senescence, and human preneoplastic lesions known to contain senescent cells. In the above settings we demonstrated co-localization of lipofuscin and SA-β-gal in senescent cells in vitro and in vivo (cryo-preserved tissue), strongly supporting the candidacy of lipofuscin for a biomarker of cellular senescence. Furthermore, cryo-preserved tissues positive for SA-β-gal were formalin-fixed, paraffin-embedded, and stained with SBB. The corresponding SA-β-gal positive tissue areas stained specifically for lipofuscin by SBB, whereas tissues negative for SA-β-gal were lipofuscin negative, validating the sensitivity and specificity of the SBB staining to visualize senescent cells in archival material. The latter unique property of SBB could be exploited in research on widely available retrospective tissue material.
SNS* 2.1K COLD BOX TURN-DOWN STUDIES (2006)

The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory is nearing completion. The cold section of the Linac consists of 81 superconducting radio frequency cavities cooled to 2.1K by a 2400 watt cryogenic refrigeration system. The 2.1K cold box consists of four stages of centrifugal compressors with LN2-cooled variable speed electric motors and magnetic bearings. The cryogenic system successfully supported the Linac beam commissioning at both 4.2K and 2.1K and has been fully operational since June 2005. This paper describes the control principles utilized and the experimental results obtained for the SNS cold compressors turn-down capability to about 30% of the design flow, and possible limitation of the frequencydependent power factor of the cold compressor electric motors, which was measured for the first time during commissioning. These results helped to support the operation of the Linac over a very broad and stable cold compressor operating flow range (refrigeration capacity) and pressure. This in turn helped to optimise the cryogenic system operating parameters, minimizing the utilities and improving system reliability and availability.
Utilización de amilasas para la optimización del proceso de desintegración (2001)

Typically, nanomedicine was prepared using a nanocarrier to load cargo for specific purposes. In this work, a carrier-free nanosystem for imaging and photodynamic (PDT)/chemo combination therapy was developed using simple self-assembly of a dye and a chemotherapeutic agent. The resulting nanoparticles (<b>I</b><sub><b>2</b></sub><b>-IR783/MTX@NPs</b>) exhibited a spherical morphology with a size of 240.6 ± 2.5 nm. <b>I</b><sub><b>2</b></sub><b>-IR783/MTX@NPs</b> had substantial internalization in 4T1 murine breast cancer cells and showed a synergistic anticancer effect after NIR light irradiation. Additionally, the 3D tumor model exhibits the same phototoxicity of nanoparticles as a 2D cell culture. The PDT efficiency of the nanosystem in the physiological environment was confirmed by the detection of intracellular reactive oxygen species as well as the live/dead viability/cytotoxicity assay following NIR light exposure. In addition, optical coherence tomography (OCT) was used as an alternative tool to monitor the response after treatment. Therefore, <b>I</b><sub><b>2</b></sub><b>-IR783/MTX@NPs</b> show great potential use in theranostic application for breast cancer PDT-chemotherapy.
Faculty Opinions recommendation of Protein kinase Cδ differentially regulates cAMP-dependent translocation of NTCP and MRP2 to the plasma membrane. (2012)

Cyclic AMP stimulates translocation of Na(+)/taurocholate cotransporting polypeptide (NTCP) from the cytosol to the sinusoidal membrane and multidrug resistance-associated protein 2 (MRP2) to the canalicular membrane. A recent study suggested that protein kinase Cδ (PKCδ) may mediate cAMP-induced translocation of Ntcp and Mrp2. In addition, cAMP has been shown to stimulate NTCP translocation in part via Rab4. The aim of this study was to determine whether cAMP-induced translocation of NTCP and MRP2 require kinase activity of PKCδ and to test the hypothesis that cAMP-induced activation of Rab4 is mediated via PKCδ. Studies were conducted in HuH-NTCP cells (HuH-7 cells stably transfected with NTCP). Transfection of cells with wild-type PKCδ increased plasma membrane PKCδ and NTCP and increased Rab4 activity. Paradoxically, overexpression of kinase-dead dominant-negative PKCδ also increased plasma membrane PKCδ and NTCP as well as Rab4 activity. Similar results were obtained in PKCδ knockdown experiments, despite a decrease in total PKCδ. These results raised the possibility that plasma membrane localization rather than kinase activity of PKCδ is necessary for NTCP translocation and Rab4 activity. This hypothesis was supported by results showing that rottlerin, which has previously been shown to inhibit cAMP-induced membrane translocation of PKCδ and NTCP, inhibited cAMP-induced Rab4 activity. In addition, LY294002 (a phosphoinositide-3-kinase inhibitor), which has been shown to inhibit cAMP-induced NTCP translocation, also inhibited cAMP-induced PKCδ translocation. In contrast to the results with NTCP, cAMP-induced MRP2 translocation was inhibited in cells transfected with DN-PKCδ and small interfering RNA PKCδ. Taken together, these results suggest that the plasma membrane localization rather than kinase activity of PKCδ plays an important role in cAMP-induced NTCP translocation and Rab4 activity, whereas the kinase activity of PKCδ is necessary for cAMP-induced MRP2 translocation. PMID: 22744337 Funding information This work was supported by: NIDDK NIH HHS, United States Grant ID: R01 DK090010 NIDDK NIH HHS, United States Grant ID: DK65975 NIDDK NIH HHS, United States Grant ID: DK90010 NIDDK NIH HHS, United States Grant ID: DK33436 NIDDK NIH HHS, United States Grant ID: R01 DK065975
Real time contrast enhanced ultrasonography in detection of liver metastases from gastrointestinal cancer (2007)

CEUS is more sensitive than conventional US in the detection of liver metastases and could be usefully employed in the staging of patients with gastrointestinal cancer. Findings at CEUS and CT appear to be complementary in achieving maximum sensitivity.
On the Yellow Product and Browning of the Reaction of Dehydroascorbic Acid with Amino Acids (1983)

The ethanolic reaction mixture of dehydroascorbic acid (DHA) and an amino acid contained a significant quantity of a yellow product. During the reaction, this yellow product was found to appear only after the formation of scorbamic acid (SCA) and the red pigment. The reaction of SCA with DHA or with the red pigment (the oxidized form of bis(2-deoxy-2-l-ascorbyl)amine) also produced the same yellow product. Its formation by the DHA-amino acid reaction was supposed to be the direct result of the above SCA-red pigment reaction. The isolated yellow product was examined mainly by spectroscopy, and a possible structure (1) containing one molecular portion each of hydrated DHA, cyclic DHA and AsA residues, and two nitrogen atoms was proposed. The yellow product is probably a condensation and oxidation product of the reaction between SCA and the red pigment. The formation of the yellow product is probably a key intermediate in this kind of browning reaction. This supposition was as also supported by the highest degree of browning shown by the yellow product among other intermediates.
Chronic Proliferative Arthritis of Mice Induced by <i>Mycoplasma arthritidis</i> I. Induction of Disease and Histopathological Characteristics (1971)

Mice injected intravenously with Mycoplasma arthritidis developed a chronic arthritis which persisted through at least 269 days. Rats similarly treated developed an acute short-term infection. The mouse disease was characterized by periods of remission and exacerbation and was proliferative in nature, gradually spreading to adjacent joints. M. arthritidis strain 158 P10 was found to be less arthritogenic for mice than for rats, but further passage of this strain in mice substantially increased its virulence. Unlike rats, mice appeared to be susceptible to a "toxin" of M. arthritidis and they developed a necrotic spreading abscess after subcutaneous administration of the organisms. Histopathological studies revealed that mice varied greatly in the degree of joint inflammation, destruction, and repair. The disease was characterized by (i) an initial acute phase with infiltration of the articular and periarticular tissues with polymorphonuclear leukocytes and a mild hyperplasia of the synovial membrane; (ii) a mixed acute-chronic phase in which new areas of acute inflammation developed alongside areas of chronic lesions; (iii) a chronic phase followed which was characterized by massive synovial proliferation with mononuclear cell infiltration, irregularity in the articulating cartilage, pannus formation, and "punched out" defects in cortical bone near cartilagenous osseous junctures. The clinical course and histopathological characteristics of the chronic phase of mouse arthritis induced by M. arthritidis closely resembled those of rheumatoid arthritis of man.
THE PROPERTIES AND RECOGNITION OF DELETERIOUS CHERTS (1968)

THE PROPERTIES OF SELECTED OHIO CHERTS WERE STUDIED BY MEANS OF PETROGRAPHIC AND ELECTRON MICROSCOPES, CHEMICAL ANALYSIS, DIFFERENTIAL THERMAL ANALYSES, X-RAY ANALYSES FOR TRACE ELEMENTS, THERMAL CHOCK, AND PORE SIZE ANALYSIS, AND THESE WERE CORRELATED WITH MORE CONVENTIONAL AGGREGATE AND CONCRETE TESTS SUCH AS COMPRESSIVE STRENGTH, FREEZE-THAW DURABILITY, ALKALI AGGREGATE EXPANSION, SODIUM SULFATE SOUNDNESS, SPECIFIC GRAVITY AND ABSORPTION TESTS. EACH OTHER PROPERTY BY MEANS OF A SPECIAL LINEAR CORRELATION ANALYSIS TECHNIQUE. AMONG THE MORE IMPORTANT CONCLUSIONS WERE: (1) THE SODIUM SULFATE SOUNDNESS AND THE EFFECTIVE POROSITY TESTS ARE THE MOST ECONOMICAL AND EFFECTIVE WAYS OF DETERMINING THE FROST SUSCEPTIBILITY OF AN AGGREGATE, (2) SPECIFIC GRAVITY ALONE IS NOT AN INDICATOR OF THE AGGREGATES DURABILITY, (3) INCREASING THE CHERT CONTENT (1%, 10%, 20%) DOES NOT ALWAYS DECREASE THE FREEZE-THAW DURABILITY OF CONCRETE, AND (4) THREE MAJOR ALKALI-AGGREGATE REACTIONS CAUSE THE EXPANSION IN THE MORTAR BARS; NAMELY, SILICA- CARBONATE AND CLAY-ALKALI REACTIVITY. /BPR/
Preliminary report on local resection with lymphadenectomy for early gastric cancer (1999)

For selected patients with early gastric cancer, local resection with lymphadenectomy can provide a good quality of life without compromising cure rate.
ChemInform Abstract: Synthesis of 2‐ and 3‐Stannolenes via Addition of Trimethyltin Alkoxides to 3‐Diethylboryl‐4‐ethyl‐1,1‐dimethylstannole. (1995)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
<sup>111</sup>In-Labeled Liposomes for Tumor Imaging: Clinical Results of the International Liposome Imaging Study (1990)

(1990). 111In-Labeled Liposomes for Tumor Imaging: Clinical Results of the International Liposome Imaging Study. Journal of Liposome Research: Vol. 1, No. 4, pp. 431-436.
Erythromelalgia: A hereditary pain syndrome enters the molecular era (2005)

In contrast with acquired pain syndromes, molecular substrates for hereditary pain disorders have been poorly understood. Familial erythromelalgia (Weir Mitchell's disease), also known as primary erythermalgia, is an autosomal dominant disorder characterized by burning pain in the extremities in response to warm stimuli or moderate exercise. The cause of this disorder has been enigmatic, and treatment has been empirical and not very effective. Recent studies, however, have shown that familial erythromelalgia is a channelopathy caused by mutations in the gene encoding the Na(v)1.7 sodium channel which lead to altered channel function. Selective expression of Na(v)1.7 within dorsal root ganglion neurons including nociceptors (in which this channel is targeted to sensory terminals, close to impulse trigger zones) and within sympathetic ganglion neurons explains why patients experience pain but do not suffer from seizures or other manifestations of altered excitability within central nervous system neurons. Erythromelalgia is the first human disorder in which it has been possible to associate an ion channel mutation with chronic neuropathic pain. Identification of mutations within a peripheral neuron-specific sodium channel suggests the possibility of rational therapies that target the affected channel. Moreover, because some other pain syndromes, including acquired disorders, involve altered sodium channel function, erythromelalgia may emerge as a model disease that holds more general lessons about the molecular neurobiology of chronic pain.
ChemInform Abstract: Microwave‐Assisted Nickel(II) Acetylacetonate‐Catalyzed Arylation of Aldehydes with Arylboronic Acids. (2011)

Abstract Optimized reaction conditions A) or B) are developed to give diarylmethanols or benzyl alcohols.
Finding exact spatial soliton profiles in nematic liquid crystals (2010)

Finding exact analytical soliton profile solutions is only possible for certain types of non-linear media. In most cases one must resort to numerical techniques to find the soliton profile. In this work we present numerical calculations of spatial soliton profiles in nematic liquid crystals. The nonlinearity is governed by the optical-field-induced liquid crystal director reorientation, which is described by a system of coupled nonlinear partial differential equations. The soliton profile is found using an iterative scheme whereby the induced waveguide and mode profiles are calculated alternatively until convergence is achieved. In this way it is also possible to find higher order solitons. The results in this work can be used to accurately design all-optical interconnections with soliton beams.
ChemInform Abstract: UEBERGANGSMETALLCARBONYL‐DERIVATE VON GERMANEN 3. MITT. GERMYL‐CARBONYLEISEN‐KOMPLEXE (1973)

Abstract Die Reaktion zwischen der F e‐carbonyl‐Verbindung (I) und Germylchlorid (II) führt neben Dihydridotetracarbonyl‐F e zu den monomeren cis‐oktaedrischen Germyl‐Derivaten (I) und (II), die IR‐, raman‐, NMR‐ und massenspektroskopisch charakterisiert werden.
Protein Kinase C Activation Modulates Arachidonic Acid Metabolism in Cultured Alveolar Epithelial Cells (1992)

Cultured alveolar type II cells can liberate esterified arachidonic acid (AA) and metabolize it predominantly via the cyclooxygenase pathway, and their capacity to do so increases as they alter their phenotype over time in culture. Little is known, however, about the regulation of AA metabolism in alveolar pneumocytes. We have examined the effects of protein kinase C (PKC) activation on arachidonate metabolism in primary cultures of rat alveolar epithelial cells studied at 2 and 7 days following isolation. The potent PKC activator phorbol myristate acetate (PMA) stimulated dose-dependent increases in free AA levels in both day 2 and day 7 cultures, with optimal stimulation at 50 nM. Greater stimulation was demonstrated for day 7 cells, and this was associated with greater prostanoid synthesis in response to PMA by day 7 than by day 2 cells. The capacity of PMA to "prime" epithelial cells for augmented AA liberation and metabolism in response to calcium ionophore A23187 (5 microM) was examined also. Significant priming by PMA was observed in both day 2 and day 7 cells; once again, augmentation of both free AA levels as well as prostaglandin E2 levels was greater for day 7 cells than for day 2 cells. That the capacity of PMA to modulate AA metabolism was mediated by activation of PKC was confirmed by demonstrating that (1) phorbol didecanoate, which lacks the ability to activate PKC, failed to activate AA metabolism; (2) pretreatment for 18 h with 1 microM PMA, which depletes cellular PKC, abolished subsequent AA metabolism activated by 50 nM PMA; and (3) the PKC inhibitor staurosporine abrogated increases in the quantities of both free AA and prostaglandin E2 in response to PMA. We conclude that activation of PKC increases the availability of AA for prostanoid synthesis in alveolar pneumocytes, and that this effect is more evident as type II cell differentiation is modeled during prolonged cultivation.
INVESTIGATION OF ELECTRODELESS PULSED PLASMA PROPULSION. Final Report, July 1961-November 1962 (1963)

Analytical and experimental investigation of electrodeless plasma accelerators as space propulsion devices was directed toward the determination of the nature of the field-plasma interaction and the over-all performance characteristics of electrodeless accelerators. An increasing phase velocity transmission line for the study of induction and synchronous modes of acceleration was designed and constructed. Measurements were made of the conductivity, density, and velocity of the plasma produced by a button source to be used with the transmission line. Diagnostic equipment was constructed for measuring plasma conductivity, density, temperature, and velocity. The button- type sources studied proved suitable for injecting into a transmission line and capable of producing a copper plasma with densities up to 10/sup 15//cc and velocities in the area of 2 x 10/sup 4/ m/sec. Conductivities were in the range of 1000 to 1500 mho/m. Studies of the interaction of this plasma with the transmission line showed preferential trapping of plasma on the leading portion of the traveling cusp, in sharp contrast to the ineffectiveness of the trailing half of the cusp in retaining and accelerating plasma. These findings support a flux trapping concept that was devised to improve the field-plasma interaction as well as containment and disengagement of themore » plasma from the traveling field at the end of the transmission line. Also, direct evidence was found for the presence of circulating Hall currents in the accelerator. Additionally, there is strong evidence for the occurrence of a large-scale instability that developed in the reflecting wave. Data displaying the time sequential development of B/sub z/ , B/sub r/, B/sub THETA /, and plasma density in the traveling field accelerator are plotted. Application of superconductivity to traveling field devices is also discussed. The system used in the preceding studies had a low overall efficiency and thrust that, however, could be improved. (auth)« less
Lattice relaxation at non-conservative antiphase boundaries in Ni3Mo (1974)

Non-conservative antiphase boundaries in the intermetallic alloy Ni3Mo have been studied by electron microscopy. It is shown that if a small excess of molybdenum is present along the boundary, a relaxation of the lattice occurs along the interface. This gives rise to a small supplementary displacement vector ϵ, the total displacement vector being R ϵ. The direction and the sense of ϵ have been determined from diffraction experiments; the supplementary displacement is equivalent to a small expansion of the boundary regions. An analysis of the structural model confirms the results. Nichtkonservative Antiphasengrenzen wurden in der intermetallischen Legierung Ni3Mo durch Elektronenmikroskopie untersucht. Es wird gezeigt, daß eine Relaxation des Gitters in Richtung der Grenzfläche auftritt, wenn ein geringer Überschuß von Molybdän vorhanden ist. Dies führt zu einem kleinen zusätzlichen Verschiebungsvektor ϵ, wobei der Gesamtverschiebungsvektor R ϵ ist. Die Richtung und das Vorzeichen von ϵ wurden aus Beugungsexperimenten bestimmt; die zusätzliche Verschiebung ist gleichbedeutend mit einer geringen Ausdehnung der Grenzbereiche.