gebhart/patrepeval huggingface dataset:
Major Effect of Pyrrolic N-Benzylation in Norbinaltorphimine, the Selective κ-Opioid Receptor Antagonist (2005)

Indolic N-benzylation of naltrindole reportedly extends the duration of delta-opioid receptor (DOR) antagonism. Similar modification of the kappa-opioid receptor (KOR) antagonist norBNI (1a) and its 17,17'-diNMe analogue (1d), a low potency mu-opioid receptor (MOR) partial agonist, was found to affect predominantly their MOR activity. When administered systemically in mouse antinociceptive assays, N-benzyl-norBNI (1b) had only MOR agonist activity of relatively short duration whereas on central administration it had only a KOR-antagonist action of extremely long duration.
ESTIMATION OF THE ACTIVITY EFFICIENCY OF THE INNOVATIVE RELATIONS SUBJECTS IN THE SOCIAL SPHERE OF ECONOMY (2007)

The article views several parameters used to analyze the efficiency of innovative activity of the social economic sphere establishments. The innovative project estimation at all stages of its implementation is crucial for the efficient funds utilization.
MycPermCheck: the Mycobacterium tuberculosispermeability prediction tool for small molecules (2013)

With over 8 million new cases in 2010, particularly documented in developing countries, tuberculosis (TB) is still a highly present pandemic and often terminal [1]. This is also due to the emergence of antibiotic-resistant strains (MDR-TB and XDR-TB) of the primary causative agent Mycobacterium tuberculosis (MTB). Efforts to develop new effective drugs against MTB are restrained by the unique and largely impermeable mycobacterial cell wall [2]. Accordingly, tools for estimating the ability of chemical compounds to pass this barrier would significantly support TB drug discovery.

Using the CDD TB database of antimycobacterial substances [3], 3,815 active and, thus, permeable compounds could be retrieved. A data mining approach was conducted to gather the similarities of these substances in terms of physico-chemical descriptors and to delimit them from a generic dataset of drug-like molecules. Principal component analyses were performed and a logistic regression model was generated on the basis of the differences of these datasets in the first principal component. This regression model was thoroughly evaluated using highly active MTB inhibitors absent in the training dataset, as well as inhibitors of the validated MTB drug target InhA. Based on these validation results, its performance is expected to be of high practical value for virtual screening purposes. The regression model was implemented into the online tool MycPermCheck to predict the permeability probability of small organic compounds against the MTB cell wall. Given the current lack of precise molecular criteria determining mycobacterial permeability, MycPermCheck represents an unprecedented knowledge-driven prediction tool intended to support antimycobacterial drug discovery. It can be used intuitively as an additional selection criterion for potential new inhibitors against MTB. The MycPermCheck online tool is freely accessible under the URL: http://www.mycpermcheck.aksotriffer.pharmazie.uni-wuerzburg.de.
The Solubility of Ammonium Oxalate in Water (1935)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe Solubility of Ammonium Oxalate in WaterArthur E. Hill and Edgar F. DistlerCite this: J. Am. Chem. Soc. 1935, 57, 11, 2203–2204Publication Date (Print):November 1, 1935Publication History Published online1 May 2002Published inissue 1 November 1935https://pubs.acs.org/doi/10.1021/ja01314a049https://doi.org/10.1021/ja01314a049research-articleACS PublicationsRequest reuse permissionsArticle Views679Altmetric-Citations8LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
ELECTRICAL ENERGY FROM BIOLOGICAL SYSTEMS. (1963)

Biochemical fuel cell - an answer to waste management in closed ecological systems - electric energy source
Photon super-bunching from a generic tunnel junction (2018)

Generating correlated photon pairs at the nanoscale is a prerequisite to creating highly integrated optoelectronic circuits that perform quantum computing tasks based on heralded single-photons. Here we demonstrate fulfilling this requirement with a generic tip-surface metal junction. When the junction is luminescing under DC bias, inelastic tunneling events of single electrons produce a photon stream in the visible spectrum whose super-bunching index is 17 when measured with a 53 picosecond instrumental resolution limit. These photon bunches contain true photon pairs of plasmonic origin, distinct from accidental photon coincidences. The effect is electrically rather than optically driven - completely absent are pulsed lasers, down-conversions, and four-wave mixing schemes. This discovery has immediate and profound implications for quantum optics and cryptography, notwithstanding its fundamental importance to basic science and its ushering in of heralded photon experiments on the nanometer scale.
Reversal of diastereoselectivity in the BF3-promoted addition of halobis(cyclopentadienyl)crotyltitanium compounds to aldehydes (1984)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReversal of diastereoselectivity in the BF3-promoted addition of halobis(cyclopentadienyl)crotyltitanium compounds to aldehydesM. T. Reetz and M. SauerwaldCite this: J. Org. Chem. 1984, 49, 12, 2292–2293Publication Date (Print):June 1, 1984Publication History Published online1 May 2002Published inissue 1 June 1984https://pubs.acs.org/doi/10.1021/jo00186a045https://doi.org/10.1021/jo00186a045research-articleACS PublicationsRequest reuse permissionsArticle Views137Altmetric-Citations40LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Mode d'action des toxiques et sensibilité des espèces (2008)

/ Déterminer la sensibilité des espèces face aux diverses contaminations est un exercice difficile qui met en ½uvre un grand nombre de notions telles que l'exposition, l'accumulation, le cycle de vie des individus et des populations. Cet exercice se trouve à la croisée de disciplines scientifiques comme la biologie, l'écologie et la toxicologie. Les auteurs font ici un état des connaissances disponibles dans ce domaine en soulignant la nécessaire confrontation des approches utilisées, mécanistes et empiriques, pour étudier et interpréter les réponses observées des organismes face à ces contaminations toxiques.
Investigating the accuracy of the FLUKA code for transport of therapeutic ion beams in matter (2006)

In-beam positron emission tomography (PET) is currently used for monitoring the dose delivery at the heavy ion therapy facility at GSI Darmstadt. The method is based on the fact that carbon ions produce positron emitting isotopes in fragmentation reactions with the atomic nuclei of the tissue. The relation between dose and beta(+)-activity is not straightforward. Hence it is not possible to infer the delivered dose directly from the PET distribution. To overcome this problem and enable therapy monitoring, beta(+)-distributions are simulated on the basis of the treatment plan and compared with the measured ones. Following the positive clinical impact, it is planned to apply the method at future ion therapy facilities, where beams from protons up to oxygen nuclei will be available. A simulation code capable of handling all these ions and predicting the irradiation-induced beta(+)-activity distributions is desirable. An established and general purpose radiation transport code is preferred. FLUKA is a candidate for such a code. For application to in-beam PET therapy monitoring, the code has to model with high accuracy both the electromagnetic and nuclear interactions responsible for dose deposition and beta(+)-activity production, respectively. In this work, the electromagnetic interaction in FLUKA was adjusted to reproduce the same particle range as from the experimentally validated treatment planning software TRiP, used at GSI. Furthermore, projectile fragmentation spectra in water targets have been studied in comparison to available experimental data. Finally, cross sections for the production of the most abundant fragments have been calculated and compared to values found in the literature.
Fitting optimization based on weighted Gaussian imaging method for auto body taillight assembly (2014)

Purpose – Fitting evenness is one key characteristic for three-dimensional objects' optimal fit. The weighted Gaussian imaging method is developed for fitting evenness of auto body taillight fitting optimization. Design/methodology/approach – Fitting boundary contours are extracted from scanning data points. Optimal fitting target is represented with gap and flushness between taillight and auto body. By optimizing the fitting position of the projected boundary contours on the Gaussian sphere, the weighted Gaussian imaging method accomplishes optimal requirements of gap and flushness. A scanning system is established, and the fitting contour of the taillight assembly model is extracted to analyse the quality of the fitting process. Findings – The proposed method accomplishes the fitting optimization for taillight fitting with higher efficiency. Originality/value – The weighted Gaussian imaging method is used to optimize the taillight fitting. The proposed method optimized the fitting objects' 3-D space, while the traditional fitting methods are based on 2-D algorithm. Its time complexity is O(n3), while those of the traditional methods are O(n5). The results of this research will enhance the understanding of the 3-D optimal fitting and help in systematically improving the productivity and the fitting quality in automotive industry.
Control and estimation of distributed parameter systems : nonlinear phenomena : international conference in Vorau (Austria), July 18-24, 1993 (1994)

A semigroup formulation of a nonlinear size-structured distributed rate population model, H.T. Banks, F. Kappel and C. Wang damage detection and characterization in smart material structures, H.T. Banks and Y. Wang optimality conditions for non-qualified parabolic control problems, M. Bergounioux, T. Maennikkoe and D. Tiba convergence of trajectories for a controlled viscous Burgers' equation, C.I. Byrnes, D.S. Gilliam and V.I. Shubov optimality conditions for boundary control problems of parabolic type, P. Cannarsa and M.E. Tessitore Pontryagin's principle for optimal control problems governed by semilinear elliptic equations, E. Casas invariance of the Hamiltonian in control problems for semi-linear parabolic distributed parameter systems, H.O. Fattorini rate distribution modeling for structured heterogeneous populations, B.G. Fitzpatrick a model for a two-layered plate with interfacial slip, S.W. Hansen numerical solution of a constrained control problem for a phase field model, M. Heinkenschloss and E.W. Sachs uniform stabilizability of nonlinearly coupled Kirchhoff plate equations, M.A. Horn and I. Lasiecka boundary temperature control for thermally coupled Navier-Stokes equations, K. Ito adaptive estimation of nonlinear distributed parameter systems, J. Kazimir and I.G. Rosen decay estimates for the wave equation with internal clamping, V. Komornik on the controllability of the rotation of a flexible arm, W. Krabs modelling and controllability of interconnected elastic membranes, J.E. Lagnese on feedback controls for dynamic networks of strings and beams and their numerical simulation, G. Leugering various relaxations in optimal control of distributed parameter systems, T. Roubicek convergence of an SQP-method for a class of nonlinear parabolic boundary control problems, F. Troltzsch conditional stability in determination of densities of heat sources in a bounded domain, M. Yamamoto boundary stabilisation of the Korteweg-de Vries equation, B.-Y. Zhang controllability of the linear system of thermoelasticity - Dirichlet-Neumann boundary conditions, E. Zuazua.
Evaluation of Pro-Angiogenic Activity of Factor XIII (FXIII) in Ischemic Tissue, Heart Transplantation and FXIII-Deficient Mice. (2004)

Abstract FXIII, the last factor of the coagulation cascade, is a plasma transglutaminase that stabilizes fibrin clots by cross-linking fibrin chains. In addition to its role in coagulation, FXIII is essential for embryo implantation and wound healing - processes that involve angiogenesis. In our previous work (Dardik et al., Arterioscler. Thromb. Vasc. Biol., 2003:23: 1472) we showed that thrombin-activated FXIII (FXIIIa) exhibits pro-angiogenic activity that is associated with downregulation of thrombospondin (TSP-1). We next shoowed that the proangiogenic effect of FXIIIa is mediated by the phosphorylation and activation of VEGFR-2 receptor. Activated VEGFR-2 then initiates a signaling cascade leading to upregulation of cyclin D-1, Egr-1 and c-Jun, and downregulation of TSP-1 induced by c-Jun via WT-1 (submitted). In the current study we evaluated the pro-angiogenic effect of FXIIIa on cardiac ischemia (using rat myocardial ischemia model) or transplantation (usig murine neonatal cardiac allograft into pinnae ear transplant model). In addition, angiogenesis in FXIII-deficient mice was studied using in vivo Matrigel model. Following myocardial ischemia, a significant increase in new vessel formation was observed in the FXIIIa-injected as compared to saline-injected rats: 142±15/mm2 vs 64±15/mm2; respectively, p = &lt;0.001. The increase in new vessel formation in the bFGF-treated animals (positive control) was similar to that observed in FXIIIa-treated mice (144±22/mm2; p = 0.6). Similarly, in the neonatal cardiac allograft transplant model the number of new vessels was higher in FXIIIa-treated animals than in controls 31.7±3.3 vs. 21.1±5.7; p&lt;0.003. Moreover the function of the transplanted tissue as reflected by % heart beating area was significantly increased in FXIIIa-treated hearts than in the controls 64.7±14.9 vs. 40.3±21.2, respectively; p = 0.04.. In addition, the number of mice with &gt;80% beating area was significantly higher in the FXIIIa-treated group that in the control: 46% vs 17%, respectively; p = 0.038. Histological analysis of the matrigel sections from FXIII-deficient mice showed significantly decreased number of new vessels compared to that of the control mice and the number of the vessels increased after treatment with FXIII (5.9±1.9 vr. 8.8±2.4 vr. 7.4±2.9, respectively, P=0.004). Similarly, the values of hemoglobin measured in the matrigel tissue were significantly higher in the control group as compared to that of the FXIII-deficient - group, increasding after treatment with FXIII (4.6 ± 2.5 mg/mg matrigel vs 1.3 ± 1.0 mg/mg matrigel vs. 4.4±0.6 mg/mg matrigel, respectively; p = 0.01. The results of this study confirm the pro-angiogenic activity of FXIIIa in ischemic tissues and clarify its role in tissue remodeling, thus, opening new therapeutic options for this compound with regard to clinical conditions where perfusion via development of new vessels is crucial.
Extending applications of the transient energy function method: Final report (1987)

Direct transient stability analysis using the Transient Energy Function (TEF) method has made significant strides in the last few years. Reliable and accurate transient stability assessment for large power networks is now possible, at a steadily improved speed. In spite of the substantial progress achieved in Direct Transient Stability Analysis, the technique is still limited to a simple power system model, i.e., the so-called classical model (constant generator voltage, constant impedance loads, etc.). This model, while adequate for first swing transient analysis in many situations, is inadequate in other important ones. Furthermore, some important power system components are not included in the power system model currently used in direct transient stability analysis. Using the equations developed in this study, utility engineers can model generator excitation and high-voltage direct-current systems in direct stability calculations. This capability will broaden and quicken the application of a new, powerful analytic tool for power system planning and operations. 32 refs., 28 figs., 31 tabs.
Molecular Epidemiology of Canine Parvovirus, Europe (2007)

Canine parvovirus (CPV), which causes hemorrhagic enteritis in dogs, has 3 antigenic variants: types 2a, 2b, and 2c. Molecular method assessment of the distribution of the CPV variants in Europe showed that the new variant CPV-2c is widespread in Europe and that the viruses are distributed in different countries.
Amino Acid Composition of Baker's Yeast Cytockrome c (1964)

Journal Article Amino Acid Composition of Baker's Yeast Cytockrome c Get access KOZO NARITA, KOZO NARITA From the Institute for Protein Research, Osaka UniversityOsaka Search for other works by this author on: Oxford Academic PubMed Google Scholar HERONORI MURAKAMI, HERONORI MURAKAMI From the Institute for Protein Research, Osaka UniversityOsaka Search for other works by this author on: Oxford Academic PubMed Google Scholar KOITI TITANI KOITI TITANI From the Institute for Protein Research, Osaka UniversityOsaka Search for other works by this author on: Oxford Academic PubMed Google Scholar The Journal of Biochemistry, Volume 56, Issue 3, September 1964, Pages 216–221, https://doi.org/10.1093/oxfordjournals.jbchem.a127983 Published: 01 September 1964 Article history Received: 25 March 1964 Published: 01 September 1964
Closed-loop tracking control of poloidal magnetic flux profile in tokamaks (2008)

The potential operation of a tokamak fusion reactor in a highly-efficient, steady-state mode is directly related to the achievement of certain types of radial profiles for the current flowing toroidally in the reactor. The time evolution of the toroidal current profile is related to the poloidal magnetic flux profile evolution, which is modeled in cylindrical coordinates using a nonlinear partial differential equation (PDE) usually referred to as the magnetic diffusion equation. In this paper, we propose a framework to solve a closed-loop, finite-time, optimal tracking control problem for the poloidal magnetic flux profile via diffusivity, interior, and boundary actuation. The proposed approach is based on reduced order modeling via proper orthogonal decomposition (POD) and successive optimal control computation for a bilinear system. Simulation results illustrate the performance of the proposed controller.
A Comparative Study of Antenna Array Algorithm Implementations using FPGA and DSP for cdma2000 (2006)

This paper demonstrates implementation of some CDMA system compatible antenna array algorithms namely LMS and space code correlator (SCC) on an FPGA. A comparative study of FPGA and DSP implementation issues such as architecture complexity and weight vector computation time is also given. The implementations of the algorithms are performed on Xilinx Virtex II Pro FPGA and Texas Instruments (TI) TMS320C67x floating-point DSP platforms. For the signal modeling, cdma2000 reverse link signal model is considered for uniform linear array topology and varying multipath propagation conditions. Results show that the both algorithms, which were implemented on Xilinx XC2VP4 and TMS320C6713 DSP, provides weight vector computation time smaller than 10 ms period.
ChemInform Abstract: Utilization of Me3SiSnBu3 in Organic Synthesis. Part 1. Generation of a Stannyl Anion from Me3SiSnBu3 and R4NX. (1993)

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.
Usefullness of CPR and PCT in the etiological diagnosis of community-acquired pneumonia (2011)

Background: Biomarkers - C-reactive protein (CRP) and procalcitonin (PCT)- in community-acquired pneumonia (CAP) could be useful to distinguish bacterial or viral etiology. Objective: To analyse initial levels of CRP and PCT in hospitalised CAP according to etiological diagnosis. Material and method: Prospective observational study in 685 patients. The etiology of CAP was classified as bacterial, viral and atypical ( Mycoplasma, Coxiella and Chlamydophila ). We have calculated the cut-off points of PCT and CRP to differentiate bacterial or viral etiology and its diagnostic value through sensitivity (S), specificity (E), positive predictive value (PPV) and negative predictive value (NPV). Results: An etiological diagnosis was reached in 295 (43%) patients: 203 (29.6%) bacterial - 118 S pneumoniae (51.1%) and 24 Legionella (11.8%)-, 12 (1.8%) virus and 24 (3.5%) atypical. The comparison between Legionella vs S pneumoniae with a cut off CRP≥22 and S:70%. E:59%. PPV:27%. NPV:90%; Atypical vs Bacteria with a threshold of PCT<0.5 and S:81%. E:68%. PPV:22%. NPV:97%; Virus vs Bacteria with a cut off PCT<0.5 and S:89%. E:68%. PPV:12%. NPV:99%. Biomarkers and etiological diagnosis CAP Atypical vs Bacteria Virus vs Bacteria Virus vs Atypical Legionella vs S. pneumoniae CRP 11.3 vs 19, p=0.92 12 vs 19, p=0.67 12 vs 11.3, p=0.73 24.9 vs 19.9, p=0.009 PCT 0.19 vs 1.12, p=0.0001 0.24 vs 1.12, p=0.003 0.24 vs 0.19, p=0.73 0.7 vs 1.7, p=0.40 The results expressed in medians. Conclusion: A threshold of PCT>0.5 rules out viral etiology with a very high negative predictive value. Legionella is associated with initial higher CRP. CRP and PCT do not allow to differentiate between viral or atypical etiology.