gebhart/patrepeval huggingface dataset:
A Calorimetric Study of the Thermal Stability of Barnase and Its Interaction with 3'GMP (1994)

We have used high-sensitivity differential scanning calorimetry to characterize the thermal stability of barnase from Bacillus amyloliquefaciens in the pH range 2.0-5.0. The energetics of the interaction between barnase and its inhibitor 3'GMP have been studied by isothermal titration calorimetry in the temperature range 15-30 degrees C. Scanning calorimetry experiments were also made with the protein in the presence of various concentrations of 3'GMP at pH 4.5. A novel, simple procedure is proposed to obtain binding parameters from scanning calorimetry data. This method is based on the calculation of the partition functions of the free and the ligand-bound protein. Isothermal calorimetry shows that at 25 degrees C 3'GMP binds to a single site in barnase with a delta Cp of -250 +/- 50 J/(K.mol). Both free barnase and ligand-bound barnase undergo a highly reversible, two-state thermal unfolding process under our experimental conditions. delta G and delta Cp unfolding values are similar to others found for globular proteins, whereas delta H and delta S unfolding values are unusually high at the denaturation temperature of barnase. We have also found unexpectedly that the thermodynamic unfolding parameters of barnase fit neither the trend of values described in the literature for the correlation between delta Cp and delta H nor the limiting specific enthalpy value in the correlation between delta H and Tm for globular proteins. These discrepancies might be related to particular features of the folded and/or unfolded states of the protein.
1-(N-Arylthiocarbamoyl)amidino-3,5-dimethyl Pyrazoles-Preparation and Use in Heterocycle Synthesis (1997)

Abstract On reaction with α-haloketones or hydrazine, 1-(N-arylthiocarbamoyl)amidino-3,5-dimethylpyrazoles (1) afford 2,4-diaminothiazoles and 3,5-diamino-1,2,4-triazoles in good yield. A convenient route to 1 is also reported.
Conflict scheduling of transactions on XML documents (2004)

In the last few years an interest in native XML databases has surfaced. With other authors we argue that such databases need their own provisions for concurrency control since traditional methods are inadequate to capture the complicated update-behavior that is possible for XML documents. Ideally, updates should not be limited to entire document trees, but should involve subtrees and even individual elements. Providing a suitable scheduling algorithm for semistructured data can significantly improve collab- orative systems that store their data | e.g. word processing documents or vector graphics | as XML documents. In this paper we improve upon earlier work which presented two equivalent concurrency control schemes based on Path Locks, and a commit scheduler for these schemes. In contrast to the earlier work, we now introduce a conflict scheduler for XML databases which uses the same path lock conflict rules and the same basic query and update languages. This new scheduler has significantly different properties than the commit scheduler. We also give a comprehensive proof of serializability of schedules accepted by the new scheduler.
ACE2 Activation Promotes Antithrombotic Activity (2010)

The aim of the present study was to test the hypothesis that the activation of the angiotensin-converting enzyme (ACE)2/angiotensin-(1-7)/Mas receptor axis by use of a novel ACE2 activator (XNT) would protect against thrombosis. Thrombi were induced in the vena cava of spontaneously hypertensive rats (SHR) and Wistar Kyoto (WKY) rats, and ACE2 and ACE activity in the thrombus was determined. Real-time thrombus formation was viewed through intravital microscopy of vessels in nude mice. Thrombus weight was 40% greater in the SHR (4.99 +/- 0.39 versus 7.04 +/- 0.66 mg). This weight increase was associated with a 20% decrease in ACE2 activity in the thrombus. In contrast, there were no differences between the WKY and SHR in ACE2 protein and ACE activity in the thrombi. ACE2 inhibition (DX600; 0.1 micromol/L/kg) increased thrombus weight by 30% and XNT treatment (10 mg/kg) resulted in a 30% attenuation of thrombus formation in the SHR. Moreover, XNT reduced platelet attachment to injured vessels, reduced thrombus size, and prolonged the time for complete vessel occlusion in mice. Thus, a decrease in thrombus ACE2 activity is associated with increased thrombus formation in SHR. Furthermore, ACE2 activation attenuates thrombus formation and reduces platelet attachment to vessels. These results suggest that ACE2 could be a novel target for the treatment of thrombogenic diseases.
Essential Oil: Innovative Tool to Improve the Preservation of Fresh Produce - A Review (2009)

The degree of fresh produce safety obtained with the currently applied preservation methods seems to be not sufficient. The interest in the possible use of natural compounds to prevent microbial growth has notably increased in response to the consumer pressure to reduce or eliminate chemically synthesized additives in foods. This review examines the potency of essential oils as natural antimicrobial agents from plants, outlining the ranges of microbial susceptibility and factors affecting antimicrobial action. Moreover, an overview on the application of essential oils and/or components during storage on fruit quality related attributes as well as the impacts of essential oil on fruit coating edible films are demonstrated. Undesirable organoleptic effects can be limited by careful selection of essential oils according to the type/sensitivity of fresh commodity.
Safety considerations in using IEC 1131-3 programming languages (1998)

Five PLC languages are defined in IEC 1131-3, some of which can be used within the same program. In defining a safe subset there are choices to be made as to which basic elements of the languages should form the safe kernel, and which individual languages are most appropriate. There are some safe language issues which the IEC 1131-3 languages have already addressed, for example, the use of pointers and the dynamic allocation of memory. However, to address criteria of definition standardisation, checkability, analysability and being deterministic in the formation of a safe language kernel, the following issues require addressing: the definition of parameter passing mechanisms; the control and use of direct addressing, including mechanisms for limiting the visibility of variables; the typing system to enforce strong typing; and the definition of Boolean literals and the use of overlong identifiers. In conclusion, the languages defined in IEC 1131-3 are small enough to allow definition of a safe subset. There are however some fundamental issues which need to be addressed, such as the parameter passing mechanism and the control and use of direct addressing, in formation of a safe subset.
Constitutive interleukin 2 production by the JURKAT human leukemic T cell line (1982)

Interleukin 2 (IL2) is a lymphokine produced from phytohemagglutinin (PHA)-stimulated peripheral blood mononuclear cells and characterized biologically by its ability to maintain the in vitro proliferation of activated T cells. In a search for a convenient alternative source of biologically active human IL2, cells from the five established T cell lines, MOLT4, HSB2, CCRF-CEM, RPMI1301 and JURKAT were cultured at high concentrations for 18-36 h (induction cultures), and their cell-free supernatants thereafter screened on IL2-dependent cultured human and mouse T cells. MOLT4, HSB2, RPMI1301, and CCRF-CEM all failed to produce detectable levels of IL2. Of the three JURKAT cell lines obtained from different sources, one, designated JMN, produced high levels of IL2 activity. A second, JM, failed to produce any IL2, while the third, JHAN, produced intermediate levels. Stimulation of the IL2-producing JMN or JHAN variants with PHA, the phorbol diester 12-0-tetradecanoyl-phorbol-13-acetate (TPA), or both PHA and TPA together, resulted in an apparent increase of IL2 activity in the culture supernatant when assayed by a short-term tritiated thymidine incorporation test. However, both PHA and TPA added directly to the test cells caused substantial thymidine incorporation. Moreover, the nonproducer line JURKAT-JM could not be converted to an IL2 producer by stimulation with PHA, TPA, or both. When JMN supernatants were used to support actual long-term growth and cloning of T cells in limiting dilution, the constitutively produced IL2 was superior to that produced after PHA and/or TPA stimulation. Addition of TPA, but not of PHA, to lectin and TPA-free JMN IL2 resulted in a decreased ability of such supernatants to support clonal T cell growth, suggesting that TPA had a growth-inhibiting effect. These results show that the continuously growing JURKAT-JMN cell line could provide a suitable source of mitogen-free human IL2.
Review of 5-HT4R Ligands: State of Art and Clinical Applications (2010)

This article reviews the medicinal implications of 5-HT(4)R in the peripheral and central nervous systems, based on data from two hundred bibliographic references. An exhaustive compilation of molecules reported to be antagonists or agonists for 5-HT(4)R is presented, including chemical structures, binding properties and pharmacological profiles. In the last part of the review, some key concepts concerning structure-activity relationships are highlighted.
Tunnel injection In0.25Ga0.75N/GaN quantum dot light-emitting diodes (2010)

Hole tunnel injection is incorporated in the design of In0.25Ga0.75N/GaN quantum dot light-emitting diodes with peak emission at λ∼500 nm. Calculations show that cold holes are uniformly injected into all five quantum dot layers in the active region. Measurements were made on devices having different thicknesses, teff, of the In0.43Al0.57N hole tunnel barrier. The best performance is exhibited by a device with teff=1.5 nm. The maximum external quantum efficiency is 0.66% at 220 A/cm2, and an efficiency droop of 20% at 360 A/cm2 is tentatively attributed to reduced Auger recombination and leakage of hot carriers.
Isotope Effects in C−H Bond Activation Reactions by Transition Metals (2002)

The activation of alkane C-H bonds by oxidative addition and its reverse reaction, reductive elimination, are believed to occur via transient sigma-alkane complexes. This Account summarizes how isotope effects can be used to probe the nature of these intermediates and points out some pitfalls in interpreting kinetic data. Comparisons are made with arene C-H activation and other activation systems.
On the use of MOS varactors in RF VCOs (2000)

This paper presents two 1.8 GHz CMOS voltage-controlled oscillators (VCOs), tuned by an inversion-mode MOS varactor and an accumulation-mode MOS varactor, respectively. Both VCOs show a lower power consumption and a lower phase noise than a reference VCO tuned by a more commonly used diode varactor. The best overall performance is displayed by the accumulation-mode MOS varactor VCO. The VCOs were implemented in a standard 0.6 /spl mu/m CMOS process.
Interleukin 4 Receptor on Human Lung Cancer (2002)

Previous studies have demonstrated that human lung tumor cell lines express interleukin 4 (IL-4) receptors, and IL-4 can mediate modest to moderate antiproliferative activity in vitro and in vivo in animal models of human lung tumors. On the basis of these studies, IL-4 was tested in clinical trials; however, it showed little antitumor activity in lung cancer patients. In the present study, we examined the expression of IL-4 receptors (IL-4Rs) in lung tumor samples and normal lung tissues and tested whether an IL-4R targeted agent will have better antitumor activity in vitro and in vivo compared with IL-4.

IL-4R expression was tested by immunohistochemistry in 54 lung tumor samples and normal lung tissues in a tissue array, by reverse-transcription PCR and Northern blot analyses in lung tumor cell lines. Cytotoxic activity of IL-4 cytotoxin [IL-4(38-37)-PE38KDEL], composed of a circular permuted IL-4 and a mutated form of Pseudomonas exotoxin (PE38KDEL) was tested by protein synthesis inhibition and clonogenic assays in seven lung tumor cell lines. Antitumor activity of IL-4 cytotoxin was tested in vitro and in immunodeficient animal models of human lung tumors.

We observed that IL-4Rs are expressed at higher levels in situ in lung tumor samples compared with normal lung tissues and IL-4 cytotoxin is highly and specifically cytotoxic to lung tumor cell lines in vitro . Intratumoral and i.p. administration of IL-4 cytotoxin to immunodeficient mice with s.c. established human lung H358 non-small cell lung cancer tumors mediated considerable antitumor activity in a dose-dependent manner with the higher dose producing durable complete responses. On the other hand, H460 non-small cell lung cancer tumors expressing low levels of IL-4R did not respond to IL-4 cytotoxin therapy.

Because IL-4 cytotoxin mediates its antitumor activity through IL-4R, and a variety of lung tumors expressed high levels of IL-4R, we propose testing the safety of this agent in patients with lung cancer.
Concept design of hybrid superconducting magnet for CFETR Tokamak reactor (2013)

CFETR which stands for “China Fusion Engineering Test Reactor” is a new tokamak device. The mission and goal of CFETR are as follows: (1) ITER-like; complementary with ITER; (2) Fusion power 50-200 MW; (3) Duty cycle time (or burning time)~(30-50%); (4) Tritium must be self-sufficiency by blanket. The main parameters of low temperature superconducting magnet system are as follows: (1) The central magnetic field in plasma area is designed as 5.0 T. (2) The major and minor radius of plasma is 5.7 m and 1.6m. The main parameters of CFETR's were optimized several times within past year according to the further physical target and engineering. Due to the restrictions of the critical magnetic field strength, low temperature superconducting conductor may difficulty applied in low aspect ratio tokamak device in a limited space. In order to achieve a much higher central magnetic field in plasma area and much higher maximum capacity of the volt seconds provided by center solenoid winding, it is possible to apply hybrid superconducting magnet to the TF coil and CS coil in a low aspect ratio design condition. In this paper, the hybrid magnet winding by using of Nb <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> Sn and Bi <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2212</sub> are designed and detailed analyzed which can be selected as a reference for CFETR's magnet system design. The high temperature magnet part is Bi2212 conductor, its dimension is 30 mm×35 mm/turn and current density is 117.46 A/mm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> . The low temperature magnet part is Nb <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> Sn conductor which can good work under 11T, its current density is about 80A/mm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> . In addition, the hybrid superconducting magnet system will be expected to save space for sufficient tritium blanket due to reduced conductor size.
Characterization of bacterial diversity to a depth of 1500 m in the Outokumpu deep borehole, Fennoscandian Shield (2011)

This paper demonstrates the first microbiological sampling of the Outokumpu deep borehole (2516 m deep) aiming at characterizing the bacterial community composition and diversity of sulphate-reducing bacteria (SRB) in Finnish crystalline bedrock aquifers. Sampling was performed using a 1500-m-long pressure-tight tube that provided 15 subsamples, each corresponding to a 100-m section down the borehole. Microbial density measurements, as well as community fingerprinting with 16S rRNA gene-based denaturing gradient gel electrophoresis, demonstrated that microbial communities in the borehole water varied as a function of sampling depth. In the upper part of the borehole, bacteria affiliated to the family Comamonadaceae dominated the bacterial community. Further down the borehole, bacteria affiliated to the class Firmicutes became more prominent and, according to 16S rRNA gene clone libraries, dominated the bacterial community at 1400-1500 m. In addition, the largest number of bacterial classes was observed at 1400-1500 m. The dsrB genes detected in the upper part of the borehole were more similar to the dsrB genes of cultured SRBs, such as the genus Desulfotomaculum, whereas in the deeper parts of the borehole, the dsrB genes were more closely related to the uncultured bacteria that have been detected earlier in deep earth crust aquifers.
Properties of Cu/ZnO/Al2O3 Catalysts Modified by Titanium Additives in Synthesis of Methanol from Syngas Using Orthogonal Experimental Design (2013)

Ternary Cu/ZnO/Al2O3 catalysts, prepared by reverse co-precipitation, were modified with small amounts of titanium additives using orthogonal experimental design.Precipitating temperature, precipitating mode, additive and precipitating environment were chosen as the main parameters for investigation.Catalytic performance of the catalysts in synthesis of methanol was evaluated in a fixed-bed reactor at 5 MPa and 240 ºC.After initial evaluation, the catalysts were used at 350 ºC for 5 h and then cooled to 240 ºC for re-evaluation.The structure and morphology of the catalysts were studied by differential thermal gravimetric analysis, X-ray diffraction, nitrogen adsorption isotherms, temperature-programmed reduction and transmission electron microscopy.It was found that high precipitating temperature promoted high mixing degrees, which increased initial catalytic yield in methanol synthesis.Combined with the synergistic effects between precursors and additives, a small amount of residual carbonate grains remaining after calcination due to the heat-resistance of rutile nanofibers and octa-potassium titanate whiskers proved beneficial to the catalytic activity.
Catalytic Biorefining of Plant Biomass to Non‐Pyrolytic Lignin Bio‐Oil and Carbohydrates through Hydrogen Transfer Reactions (2014)

Through catalytic hydrogen transfer reactions, a new biorefining method results in the isolation of depolymerized lignin--a non-pyrolytic lignin bio-oil--in addition to pulps that are amenable to enzymatic hydrolysis. Compared with organosolv lignin, the lignin bio-oil is highly susceptible to further hydrodeoxygenation under low-severity conditions and therefore establishes a unique platform for lignin valorization by heterogeneous catalysis. Overall, the potential of a catalytic biorefining method designed from the perspective of lignin utilization is reported.
A New Conjugate Gradient Method with Guaranteed Descent and an Efficient Line Search (2005)

A new nonlinear conjugate gradient method and an associated implementation, based on an inexact line search, are proposed and analyzed. With exact line search, our method reduces to a nonlinear version of the Hestenes--Stiefel conjugate gradient scheme. For any (inexact) line search, our scheme satisfies the descent condition ${\bf g}_k^{\sf T} {\bf d}_k \le -\frac{7}{8} \|{\bf g}_k\|^2$. Moreover, a global convergence result is established when the line search fulfills the Wolfe conditions. A new line search scheme is developed that is efficient and highly accurate. Efficiency is achieved by exploiting properties of linear interpolants in a neighborhood of a local minimizer. High accuracy is achieved by using a convergence criterion, which we call the ``approximate Wolfe' conditions, obtained by replacing the sufficient decrease criterion in the Wolfe conditions with an approximation that can be evaluated with greater precision in a neighborhood of a local minimum than the usual sufficient decrease criterion. Numerical comparisons are given with both L-BFGS and conjugate gradient methods using the unconstrained optimization problems in the CUTE library.
Modulation of carbonic anhydrase activity and its applications in therapy (2004)

AbstractBy catalysing a very simple physiological reaction, the hydration of carbon dioxide (CO2) to bicarbonate (HCO3-) and a proton (H+), carbonic anhydrases (CAs), of which five genetically distinct families (α – ϵ) are presently known, are fundamental enzymes in all organisms over the phylogenetic tree. In vertebrates, including humans, the 14 different α-CA isozymes presently known are involved in a host of physiological and pathological processes and modulation of their activity by means of specific inhibitors or activators leads to important pharmacological responses. CA inhibitors (CAIs) – systemic or topically acting – are clinically used ophthalmologic drugs for the management of glaucoma, cystoid macular oedema and retinopathies of diverse nature, being used alone or in combination therapies with many other agents. Topiramate (TPM) and zonisamide are widely used antiepileptics possessing a complex mechanism of action, in which CA inhibition plays a major role. Other neurological or neuromuscular disorders also make use of agents such as acetazolamide, methazolamide, ethoxzolamide or dichlorophenamide, in addition to the classical CAIs. CA activators on the other hand may lead to novel therapies in the treatment of cognitive disorders. Important advances were recently accomplished in the design of CA V-targeted inhibitors, with potential use as antiobesity agents that inhibit a critical step in lipogenesis in which the mitochondrial isozyme V is involved. Isozymes CA IX and CA XII play important roles in pH regulation, cell adhesion, proliferation and differentiation in hypoxic tumours and constitute conceptually novel targets for anticancer therapies. Indeed, many sulfonamide and sulfamate potent CA IX inhibitors were reported, which may open new vistas for such antitumour therapies. Several CA isozymes are complexed with proteins involved in anion transport, such as anion exchangers (AE1) or Na+/HCO3- cotransporter proteins (NBC1 and NBC3), forming metabolons, in which the enzymatic activity of each protein is enhanced by its companion. The understanding of the biochemical mechanisms involved in such interactions may also lead to important novel pharmacological applications.KeywordsAlzheimer's diseaseanticancer drugantiglaucoma agentantiobesity agentcarbonic anhydraseenzyme activatorenzyme inhibitorhypoxiaisozymemetabolonsulfamatesulfamidesulfonamidetumour progression marker
THz time-domain magneto-optical ellipsometry in reflection geometry (2004)

We develop the THz ellipsometric technique to determine the dielectric tensor using THz time-domain magneto-optical measurements. The technique is applicable for magneto-optical measurements at an arbitrary incidence angle in materials with large magnetic anisotropy.
7,7′′‐Dimethoxyagastisflavone‐induced Apoptotic or Autophagic Cell Death in Different Cancer Cells (2011)

7,7''-Dimethoxyagastisflavone (DMGF), a biflavonoid isolated from the needles of Taxus × media cv. Hicksii, was evaluated for its antiproliferative and antineoplastic effects in three human cancer cell lines. Interestingly, DMGF caused cell death via different pathways in different cancer cells. DMGF induced apoptosis, activated caspase-3 activity and changed the mitochondrial membrane potential in HT-29 human colon cancer cells. However, the apoptotic pathway is not the major pathway involved in DMGF-induced cell death in A549 human lung cancer cells and HepG2 human hepatoma cells. Treatment with 3-MA, an inhibitor of autophagy, significantly decreased DMGF-induced cell death in HepG2 and A549 cells, but did not affect DMGF-induced cell death in HT-29 cells. Following DMGF treatment, the HepG2 cells increased expression of LC3B-II, a marker used to monitor autophagy in cells. Thus, DMGF induced apoptotic cell death in HT-29 cells, triggered both apoptotic and autophagic death in A549 cells and induced autophagic cell death in HepG2 cells.