gebhart/patrepeval huggingface dataset:
Structural Requirements for Inhibition of the Neuronal Nitric Oxide Synthase (NOS-I):  3D-QSAR Analysis of 4-Oxo- and 4-Amino-Pteridine-Based Inhibitors (2002)

The family of homodimeric nitric oxide synthases (NOS I-III) catalyzes the generation of the cellular messenger nitric oxide (NO) by oxidation of the substrate L-arginine. The rational design of specific NOS inhibitors is of therapeutic interest in regulating pathological NO levels associated with sepsis, inflammatory, and neurodegenerative diseases. The cofactor (6R)-5,6,7,8-tetrahydrobiopterin (H(4)Bip) maximally activates all NOSs and stabilizes enzyme quaternary structure by promoting and stabilizing dimerization. Here, we describe the synthesis and three-dimensional (3D) quantitative structure-activity relationship (QSAR) analysis of 65 novel 4-amino- and 4-oxo-pteridines (antipterins) as inhibitors targeting the H(4)Bip binding site of the neuronal NOS isoform (NOS-I). The experimental binding modes for two inhibitors complexed with the related endothelial NO synthase (NOS-III) reveal requirements of biological affinity and form the basis for ligand alignment. Different alignment rules were derived by building other compounds accordingly using manual superposition or a genetic algorithm for flexible superposition. Those alignments led to 3D-QSAR models (comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA)), which were validated using leave-one-out cross-validation, multiple analyses with two and five randomly chosen cross-validation groups, perturbation of biological activities by randomization or progressive scrambling, and external prediction. An iterative realignment procedure based on rigid field fit was used to improve the consistency of the resulting partial least squares models. This led to consistent and highly predictive 3D-QSAR models with good correlation coefficients for both CoMFA and CoMSIA, which correspond to experimentally determined NOS-II and -III H(4)Bip binding site topologies as well as to the NOS-I homology model binding site in terms of steric, electrostatic, and hydrophobic complementarity. These models provide clear guidelines and accurate activity predictions for novel NOS-I inhibitors.
Durable Antimicrobial Finishing of Nylon Fabrics with Acid Dyes and a Quaternary Ammonium Salt (2001)

A new finishing method of preparing durable antimicrobial nylon fabrics, developed recently, uses acid dyes as bridges to link antimicrobial agents such as quaternary ammonium salts to synthetic fabrics. The durability of antimicrobial functions is determined by the ionic interactions of the dyes with a quaternary ammonium salt, and by the add-on amount of the salt on the fabrics. Add-on amounts of the quaternary ammonium salt on fabrics are controlled by varying the concentrations of finishing baths. Curing time and curing temperature impact the durable antimicrobial functions of the finished fabric. When nylon fabric is treated with a solution containing 4% quaternary ammonium salt and then cured at 150°C for 10 minutes, it maintains durable antimicrobial properties even after ten Launder-Ometer washings. The antimicrobial properties of the finished fabrics are also durable in conventional laundering. Furthermore, the finished fabrics possess good color fastness after ten Launder-Ometer washes.
Pupillary Responses During Information Processing Vary with Scholastic Aptitude Test Scores (1979)

The magnitude of task-evoked pupillary dilations during mental activity has previously been shown to index the cognitive capacity utilized in the performance of the mental task. To determine the relation between "intelligence" and capacity demands during mental activity, task-evoked pupillary dilations were measured while two groups of university students differing in their scores on the Scholastic Aptitude Test solved mental arithmetic problems. Over three levels of problems difficulty, more intelligent subjects showed smaller task-evoked pupillary dilations than did their less intelligent counterparts. Thus, the more intelligent appear to possess more efficient cognitive structures of information processing. These data provide evidence that physiological differences between individuals of differing psychometric intelligence emerge during mental activity.
Performance Optimization of Polymer Solar Cells Using Electrostatically Sprayed Photoactive Layers (2010)

Abstract Polymer solar cells (PSCs) are fabricated using a novel film deposition method, the electrostatic spray (e‐spray) technique. Stable atomization and uniform deposition of the polymer blend by e‐spray are achieved by manipulating the solution concentration, the solvent composition, and the electric field. The performance of PSCs is primarily influenced by the inherent film morphology of the e‐sprayed polymer‐blend active layers, which is significantly different from that of the conventional films that are formed using the spin‐coating (SC) method. The intrinsically formed interfacial boundaries between the e‐sprayed blend pancakes resist charge transport, which unfavorably influences device efficiency. The internal series resistance ( R S ) of the PSCs that are formed using the e‐spray method (e‐spray‐PSC) is significantly reduced by a solvent vapor soaking (SVS) treatment in addition to the conventional thermodynamic nanomorphology controls. The detailed relationship between the morphologies (film morphology and internal nanomorphology) and the R S is revealed using impedance spectroscopy. The performance of the e‐spray‐PSCs is comparable to those of the PSCs that are fabricated using the SC method under identical conditions. Therefore, the e‐spray method can be used to fabricate ultralow‐cost PSCs, because of the performance results combined with the intrinsic advantages that the e‐spray method is simple and has a low materials loss.
Allogeneic Hematopoietic Stem-Cell Transplantation for Sickle Cell Disease (2009)

A protocol for nonmyeloablative allogeneic hematopoietic stem-cell transplantation that includes total-body irradiation and treatment with alemtuzumab and sirolimus can achieve stable, mixed donor-recipient chimerism and reverse the sickle cell phenotype. (ClinicalTrials.gov number, NCT00061568.)
Response Times of Carbon Fiber Microelectrodes to Dynamic Changes in Catecholamine Concentration (2001)

The electrode response time and the measured concentrations during dynamic catecholamine changes were compared using constant potential amperometry and fast-scan cyclic voltammetry. The amperometric response to a rectangular pulse of catecholamine is more rectangular than the cyclic voltammetric response; however, the response times are very similar when, during cyclic voltammetry, the temporal lag due to adsorption and desorption of catecholamine to the electrode is removed by deconvolution. Deconvolution of cyclic voltammetry data was applied to stimulated dopamine release in vivo, allowing for modeling of release and uptake kinetics and to measure catecholamine release from single cells, resulting in better resolution of peaks from single vesicles. In vitro postcalibrations were performed to calculate concentrations of catecholamine measured with cyclic voltammetry and amperometry. The addition of 600 microM ascorbic acid to the postcalibration buffer, allowing a catalytic reaction to regenerate dopamine, resulted in similar calculated concentrations for stimulated release of dopamine using amperometry and cyclic voltammetry. Using deconvoluted cyclic voltammetry to remove the response time lag and adding ascorbic acid to the calibration buffer, the shape and concentration of dynamic catecholamine changes are very similar when measured with constant potential amperometry and cyclic voltammetry.
Modeling of corneal surfaces with radial polynomials (2002)

We consider analytical modeling of the anterior corneal surface with a set of orthogonal basis functions that are a product of radial polynomials and angular functions. Several candidate basis functions were chosen from the repertoire of functions that are orthogonal in the unit circle and invariant in form with respect to rotation about the origin. In particular, it is shown that a set of functions that is referred herein as Bhatia-Wolf polynomials, represents a better and more robust alternative for modeling corneal elevation data than traditionally used Zernike polynomials. Examples of modeling corneal elevation are given for normal corneas and for abnormal corneas with significant distortion.
Minimizing Residual Vibration for Point-to-Point Motion (1985)

This paper describes an appropriately shaped forcing function for moving a dynamic system over an incremental distance with minimum residual vibration. The function is constructed by combining harmonics of a “ramped sinusoid” function so that minimum energy is introduced to the system at its resonant frequencies. A test fixture to evaluate this approach is described and experimental results are given. Residual vibration amplitudes for the ramped sinusoid function are compared with those for a square wave input and a bang-bang function. In practice, the ramped sinusoid achieves nearly an order-of-magnitude reduction in residual vibration amplitude as compared to the square wave forcing function.
TELEMORPH: BANDWIDTH-DETERMINED MOBILE MULTIMODAL PRESENTATION (2004)

This article presents the initial stages of research at the University of Ulster into a mobile intelligent multimedia presentation system called TeleMorph.TeleMorph aims to dynamically generate multimedia presentations using output modalities that are determined by the bandwidth available on a mobile device's wireless connection.To demonstrate the effectiveness of this research, TeleTuras, a tourist information guide for the city of Derry, will implement the solution provided by TeleMorph, thus demonstrating its effectiveness.This article does not focus on the multimodal content composition but rather concentrates on the motivation for and issues surrounding such intelligent tourist systems.
Transitional B Cells Lose Their Ability to Receptor Edit but Retain Their Potential for Positive and Negative Selection (2007)

Ligation of B cell receptors on immature bone marrow B cells, either by an endogenous Ag or by an anti-B cell receptor Ab induces secondary V(D)J gene rearrangements, termed receptor editing. Whether the same signal induces receptor editing in transitional B cells is not clear. In this study, we examined the responses of immature and transitional B cells from V(H)12Vkappa1A Ig transgenic mice to stimulation with an anti-Igbeta Ab. Our results demonstrated that immature B cells stimulated with a low concentration of anti-Igbeta Ab, mimicking Ag stimulation, underwent receptor editing both in vivo and in vitro, as evidenced by the detection of dsDNA breaks at Jkappa recombination signal sequences, whereas transitional B cells did not. The lack of dsDNA breaks in transitional B cells contrasts with their increased expression of RAG1 and RAG2, suggesting a novel mechanism that may prevent rearrangements. Furthermore, treatment of transitional B cells with high concentrations of anti-Igbeta Abs induced apoptosis, whereas low concentrations induced differentiation. Our results support the idea that transitional B cells lose the capacity to edit, but are sensitive to positive and negative selection.
Multivariate design synthesis and biological evaluation of peptides binding to Aq class II MHC molecules : a QSAR model for peptide binding in a mouse model for rheumatoid arthritis. (2006)

Multivariate design synthesis and biological evaluation of peptides binding to Aq class II MHC molecules : a QSAR model for peptide binding in a mouse model for rheumatoid arthritis
Moslecular and biological characterization of human 4‐1BB and its ligands (1994)

4-1BB was originally described as a cDNA expressed by activated murine T cells and subsequently demonstrated to encode a member of the tumor necrosis factor receptor family of integral membrane proteins. Recently, we identified and cloned a murine ligand for 4-1BB (mu4-1BB-L) and demonstrated it to be a member of an emerging family of ligands with structural homology to tumor necrosis factor. To characterize further the role of 4-1BB in the immune response we undertook to clone the human homologue of 4-1BB-L. However, attempts to isolate a cDNA encoding the human 4-1BB-L by cross-hybridization with the murine cDNA were unsuccessful. Therefore we first utilized cross-species hybridization to isolate a cDNA encoding human 4-1BB (hu4-1BB). A fusion protein consisting of the extracellular portion of hu4-1BB coupled to the Fc region of human immunoglobulin G1 (hu4-1BB.Fc) was then used to identify and clone a gene for human 4-1BB-L from an activated CD4+ T cell clone using a direct expression cloning strategy. Human 4-1BB-L shows 36% amino acid identity with its murine counterpart and maps to chromosome 19p13.3. Scatchard analysis demonstrated high-affinity binding of hu4-1BB.Fc to either native or recombinant human 4-1BB-L. Both monoclonal antibody to hu4-1BB and cells transfected with hu4-1BB-L induced a strong proliferative response in mitogen co-stimulated primary T cells. In contrast, ligation of 4-1BB on T cell clones enhanced activation-induced cell death when triggered by engagement of the TCR/CD3 complex.
Methylthioadenosine phosphorylase deficiency in human non-small cell lung cancers. (1993)

Methylthioadenosine (MeSAdo) phosphorylase, a purine metabolic enzyme, is present in all normal mammalian tissues. A deficiency of this enzyme has been reported in some human leukemias and lymphomas and in a few solid tumors. In the present study, a specific immunoassay was used to assess the enzyme levels in human non-small cell lung cancer cell lines and primary tumors. We also tested the effects of MeSAdo phosphorylase-selective chemotherapy on the in vitro growth of enzyme-positive and enzyme-negative lung cancer cell lines. Of 29 non-small cell lung cancers, 9 (6 cell lines and 3 primary tumors, 31%) lacked detectable immunoreactive enzyme protein. Both 5,10-dideazatetrahydrofolate, an inhibitor of de novo purine synthesis, and methionine depletion, combined with MeSAdo, prevented the growth of the enzyme-negative non-small cell lung cancer cells under conditions in which enzyme-positive cells utilized MeSAdo to endogenously synthesize purine nucleotides and methionine. Our data suggest that MeSAdo phosphorylase deficiency is frequently found in non-small cell lung cancers and can be exploited in designing enzyme-selective chemotherapy.
Characteristics of human synovial fibroblast activation by IL-1 beta and TNF alpha. (1989)

Human synovial fibroblast cell lines (HSN), established from tissues obtained from the knee joints of arthritis patients undergoing arthoplasty, were used to investigate the effects of human interleukin-1 (IL-1) beta and tumour necrosis factor (TNF)alpha on proliferation and prostaglandin E2 (PGE2) secretion. IL-1 beta and TNF alpha were equipotent stimulators of HSN proliferation. Classical non-steroidal anti-inflammatory drugs and glucocorticoids significantly augmented this effect. In addition, IL-1 beta and TNF alpha were potent inducers of PGE2 production while exogenous PGE2 was growth inhibiting. These data suggest that the secretion of PGE2 by monokine-stimulated HSN exerts a negative feedback signal. Further examination of IL-1 beta- and TNF alpha-induced PGE2 secretion revealed IL-1 beta to be a more potent stimulator; however, this observation may be due, in part, to differences in the kinetics of induction. Rabbit anti-IL-1 beta and anti-TNF alpha specifically neutralized both proliferation and PGE2 production induced by these monokines, but anti-IL-1 beta (or anti-IL-1 alpha) did not block TNF alpha activity. It is unclear whether TNF alpha stimulates HSN to produce IL-1, but the antibody data suggest that extracellular IL-1 is not responsible for TNF alpha in vitro activity.
Nuclear Factor Erythroid 2-Related Factor 2 Drives Podocyte-Specific Expression of Peroxisome Proliferator-Activated Receptor γ Essential for Resistance to Crescentic GN (2015)

International audience
Progress in Cationic Lipid-Mediated Gene Transfection: A Series of Bio- Inspired Lipids as an Example (2008)

Over the last several years, various gene delivery systems have been developed for gene therapy applications. Although viral vector-based gene therapy has led to the greatest achievements in animal and human studies, synthetic non-viral vectors have also been developed as they offer several advantages over viral systems, including lower immunogenicity and greater nucleic acid packaging capacity. Nevertheless, the transfection efficiency of the current non-viral gene carriers still needs to be improved, especially as regards direct in vivo transfection. In particular, cationic lipid/nucleic acid complexes (termed lipoplexes) have been the subject of intensive investigation with a view to optimize their performance and to better understand their mechanisms of action, and consequently to design new approaches to overcome the critical barriers of cationic liposome-mediated gene delivery. A possible strategy may rely on considering the membrane constituents and properties of the vast variety of living organisms as a source of inspiration for the design of biocompatible, non-toxic and effective novel artificial liposomal systems. Thus, the present forward-looking review provides an overview of the progress already made during the last years in the field of cationic lipid-mediated gene transfection and also focuses on a series of novel bio-inspired lipids for both in vitro and in vivo gene transfection.
Regulation of fibronectin biosynthesis by dexamethasone, transforming growth factor beta, and cAMP in human cell lines. (1988)

The regulation of fibronectin (FN) biosynthesis by dexamethasone (a synthetic glucocorticoid), forskolin (an activator of adenylate cyclase), and transforming growth factor beta (TGF-beta) was examined in six human cell lines. Dexamethasone treatment produced the largest increase in FN biosynthesis in the fibrosarcoma cell line, HT-1080 (approximately 45-fold). This seems to result from a dexamethasone-mediated increase in FN mRNA stability which increases the message half-life from approximately 11 to 26 h. The relative instability of FN mRNA in the fibrosarcoma (t1/2 11 h) compared to normal fibroblasts (70 h) appears to result from the particular transformed phenotype of the HT-1080 cells. Forskolin and TGF-beta increase the rate of FN gene transcription in most of the cell lines. These effects (four- to six-fold) occur rapidly and do not require protein synthesis in the responsive cell lines which include normal fibroblasts. However, in the fibrosarcoma (HT-1080), a surprisingly large induction (20-30-fold) is observed and this induction is different from that in the normal fibroblasts and the other cell lines in that both protein synthesis and a lag period are required. Synergism is seen with dexamethasone and either forskolin or TGF-beta in HT-1080 cells increasing the rate of FN biosynthesis approximately 200-fold to a level similar to normal fibroblasts. This seems to result from a combination of FN mRNA stabilization (dexamethasone) and increased transcription (forskolin and TGF-beta).
BRCA1 and BRCA2 Founder Mutations and the Risk of Colorectal Cancer (2004)

Although weak associations cannot be excluded, Ashkenazi BRCA founder mutations do not confer a strongly elevated risk of colorectal cancer. Similarly, a family history of breast cancer does not appear to be a strong risk factor for colorectal cancer in this population.
Lunar Resources Using Moderate Spectral Resolution Visible and Near-infrared Spectroscopy: Al/si and Soil Maturity (1992)

Modern visible and near-infrared detectors are critically important for the accurate identification and relative abundance measurement of lunar minerals; however, even a very small number of well-placed visible and near-infrared bandpass channels provide a significant amount of general information about crucial lunar resources. The Galileo Solid State Imaging system (SSI) multispectral data are an important example of this. Al/Si and soil maturity will be discussed as examples of significant general lunar resource information that can be gleaned from moderate spectral resolution visible and near-infrared data with relative ease. Because quantitative-albedo data are necessary for these kinds of analyses, data such as those obtained by Galileo SSI are critical. SSI obtained synoptic digital multispectral image data for both the nearside and farside of the Moon during the first Galileo Earth-Moon encounter in December 1990. The data consist of images through seven filters with bandpasses ranging from 0.40 microns in the ultraviolet to 0.99 microns in the near-infrared. Although these data are of moderate spectral resolution, they still provide information for the following lunar resources: (1) titanium content of mature mare soils based upon the 0.40/0.56-micron (UV/VIS) ratio; (2) mafic mineral abundance based upon the 0.76/0.99-micron ratio; and (3) the maturity or exposure age of the soils based upon the 0.56-0.76-micron continuum and the 0.76/0.99-micron ratio. Within constraints, these moderate spectral resolution visible and near-infrared reflectance data can also provide elemental information such as Al/Si for mature highland soils.
Enhanced electron emission from phosphorus-doped diamond-clad silicon field emitter arrays (1996)

Undoped and phosphorus (P)-doped diamond-clad Si field emitter arrays have been successfully fabricated using microwave plasma chemical vapor deposition (MPCVD) technology. The electron emission from the blunt diamond-clad microtips are much higher than those for the pure Si tips with sharp curvature due to a lower work function. Furthermore, the characteristics of emission current against applied voltage for the P-doped diamond-clad tips show superior emission at lower field to the undoped ones. After the examination of Auger electron spectroscopy (AES) and electrical characteristics of as-grown diamond, such a significant enhancement of the electron emission from the P-doped diamond-clad tips is attributed to a higher electron conductivity and defect densities.
CompaRob: The Shopping Cart Assistance Robot (2016)

Technology has recently been developed which offers an excellent opportunity to design systems with the ability to help people in their own houses. In particular, assisting elderly people in their environments is something that can significantly improve their quality of life. However, helping elderly people outside their usual environment is also necessary, to help them to carry out daily tasks like shopping. In this paper we present a person-following shopping cart assistance robot, capable of helping elderly people to carry products in a supermarket. First of all, the paper presents a survey of related systems that perform this task, using different approaches, such as attachable modules and computer vision. After that, the paper describes in detail the proposed system and its main features. The cart uses ultrasonic sensors and radio signals to provide a simple and effective person localization and following method. Moreover, the cart can be connected to a portable device like a smartphone or tablet, thus providing ease of use to the end user. The prototype has been tested in a grocery store, while simulations have been done to analyse its scalability in larger spaces where multiple robots could coexist.