gebhart/patrepeval huggingface dataset:
Synthesis and Biological Activity of a Series of Potent Fluoromethyl Ketone Inhibitors of Recombinant Human Calpain I (1997)

Calpain I, an intracellular cysteine protease, has been implicated in the neurodegeneration following an episode of stroke. In this paper, we report on a series of potent dipeptide fluoromethyl ketone inhibitors of recombinant human calpain I (rh calpain I). SAR studies revealed that while calpain I tolerates a variety of hydrophobic groups at the P1 site, Leu at P2 is preferred. However, the nature of the N-terminal capping group has a significant effect on the inhibitory activity of this series of compounds. Compound 4e [(1,2,3,4-tetrahydroisoquinolin-2-yl)carbonyl-Leu-D,L-Phe-CH2F+ ++], having a tetrahydroisoquinoline containing urea as the N-terminal capping group, is the most potent dipeptide fluoromethyl ketone inhibitor of calpain I (with a second-order rate constant for inactivation of 276,000 M-1 s-1) yet reported; tripeptide 4k (Cbz-Leu-Leu-D,L-Phe-CH2F) is equipotent. A number of compounds presented in this study displayed excellent selectivity for calpain I over cathepsins B and L, two related cysteine proteases. Compounds which exhibited good inhibitory activity in the assay against isolated rh calpain I also inhibited intracellular calpain I in a human cell line. Thus, in an intact cell assay, compounds 4e and 4k inhibited calpain I with IC50 values of 0.2 and 0.1 microM, respectively. Finally, we also disclose the first example of fluorination of a dipeptide enol silyl ether to generate the corresponding dipeptide fluoromethyl ketone.
Active resonators for control of multiple spinning modes in an axial flow fan inlet (1999)

A research program was undertaken to explore the potential and practicality of developing active control Helmholtz resonators to attenuate excessive turbofan engine noise. The active Helmholtz resonator provides increased acoustic bandwidth by adding a controlled velocity via a secondary sound source. Plane wave tests demonstrated that the concept could be used both the increase a resonator’s absorption bandwidth and induct insertion loss bandwidth. For effective absorption of sound in a two dimensional duct environment, the active resonator concept was combined with a unidirectional radiation technique, which was extended to provide simultaneous suppression of multiple azimuthal, multiple radial and multiple blade-pass harmonic sound fields. The program culminated in a demonstration in the ANCF at NASA Glenn Research Center
Ti-Pillared Clays: Synthesis and General Characterization (2006)

Abstract This review is concerned with the synthesis and physical-chemical characteristics of a specific type of modified clay material: Ti-PILCs. The two general synthetic procedures and the main problems associated with the scale-up synthesis of these pillared materials are discussed in detail. The general characteristics of Ti-PILCs in terms of basal spacing, pillar homogeneity, surface area, microporosity, mesoporosity, pore size and distribution, thermal resistance and acidity are discussed in depth. Likewise, the most important synthesis parameters that have a clear and marked influence on the final characteristics of the materials are summarized.
A facile route to prepare high surface area mesoporous SiC from SiO2 sphere templates (2004)

A simple and economic process for the preparation of mesoporous SiC ceramics with high BET surface area was developed by using commercially available sources. Low viscosity polycarbosilane as a SiC precursor was infiltrated into a sacrificial silica sphere template, which was precipitated by the centrifugation of an aqueous silica sol having a particle diameter in the range 20–100 nm. It was subsequently etched off by aqueous HF after pyrolysis in an argon atmosphere at 1000–1400 °C. The mesoporous SiC prepared from 20–30 nm aqueous silica sol exhibited a significantly high surface area of 612.7 m2 g−1 (pore volume 0.81 cm3 g−1), with a bimodal pore size distribution. The pore characteristics of various mesoporous SiC ceramics were investigated by controlling the diameter of colloidal silica sols and pyrolytic temperatures. In addition, it was demonstrated that mesoporous SiC patterns with a 20 µm width could be fabricated on a Si wafer using a micromolding in capillaries (MIMIC) method as one of the soft lithography techniques. Finally, the prepared mesoporous SiC products were thoroughly analyzed using SEM, TEM, nitrogen adsorption isotherms and XRD.
A Specific Amino Acid Binding Site Composed of RNA (1988)

A specific, reversible binding site for a free amino acid is detectable on the intron of the Tetrahymena self-splicing ribosomal precursor RNA. The site selects arginine among the natural amino acids, and prefers the L- to the D-amino acid. The dissociation constant is in the millimolar range, and amino acid binding is at or in the catalytic rG splicing substrate site. Occupation of the G site by L-arginine therefore inhibits splicing by inhibiting the binding of rG, without inhibition of later reactions in the splicing reaction sequence. Arginine binding specificity seems to be directed at the side chain and the guanidino radical, and the alpha-amino and carboxyl groups are dispensable for binding. The arginine site can be placed within the G site by structural homology, with consequent implications for RNA-amino acid interaction, for the origin of the genetic code, for control of RNA activities, and for further catalytic capabilities for RNA.
Cannabinoids as Novel Anti-Inflammatory Drugs (2009)

Cannabinoids are a group of compounds that mediate their effects through cannabinoid receptors. The discovery of Δ9-tetrahydrocannabinol (THC) as the major psychoactive principle in marijuana, as well as the identification of cannabinoid receptors and their endogenous ligands, has led to a significant growth in research aimed at understanding the physiological functions of cannabinoids. Cannabinoid receptors include CB1, which is predominantly expressed in the brain, and CB2, which is primarily found on the cells of the immune system. The fact that both CB1 and CB2 receptors have been found on immune cells suggests that cannabinoids play an important role in the regulation of the immune system. Recent studies demonstrated that administration of THC into mice triggered marked apoptosis in T cells and dendritic cells, resulting in immunosuppression. In addition, several studies showed that cannabinoids downregulate cytokine and chemokine production and, in some models, upregulate T-regulatory cells (Tregs) as a mechanism to suppress inflammatory responses. The endocannabinoid system is also involved in immunoregulation. For example, administration of endocannabinoids or use of inhibitors of enzymes that break down the endocannabinoids, led to immunosuppression and recovery from immune-mediated injury to organs such as the liver. Manipulation of endocannabinoids and/or use of exogenous cannabinoids in vivo can constitute a potent treatment modality against inflammatory disorders. This review will focus on the potential use of cannabinoids as a new class of anti-inflammatory agents against a number of inflammatory and autoimmune diseases that are primarily triggered by activated T cells or other cellular immune components.
Identification of a Novel Lysophospholipid Acyltransferase in Saccharomyces cerevisiae (2007)

The incorporation of unsaturated acyl chains into phospholipids during de novo synthesis is primarily mediated by the 1-acyl-sn-glycerol-3-phosphate acyltransferase reaction. In Saccharomyces cerevisiae, Slc1 has been shown to mediate this reaction, but distinct activity remains after its removal from the genome. To identify the enzyme that mediates the remaining activity, we performed synthetic genetic array analysis using a slc1Delta strain. One of the genes identified by the screen, LPT1, was found to encode for an acyltransferase that uses a variety of lysophospholipid species, including 1-acyl-sn-glycerol-3-phosphate. Deletion of LPT1 had a minimal effect on 1-acyl-sn-glycerol-3-phosphate acyltransferase activity, but overexpression increased activity 7-fold. Deletion of LPT1 abrogated the esterification of other lysophospholipids, and overexpression increased lysophosphatidylcholine acyltransferase activity 7-fold. The majority of this activity co-purified with microsomes. To test the putative role for this enzyme in selectively incorporating unsaturated acyl chains into phospholipids in vitro, substrate concentration series experiments were performed with the four acyl-CoA species commonly found in yeast. Although the saturated palmitoyl-CoA and stearoyl-CoA showed a lower apparent Km, the monounsaturated palmitoleoyl-CoA and oleoyl-CoA showed a higher apparent Vmax. Arachidonyl-CoA, although not abundant in yeast, also had a high apparent Vmax. Pulse-labeling of lpt1Delta strains showed a 30% reduction in [3H]oleate incorporation into phosphatidylcholine only. Therefore, Lpt1p, a member of the membrane-bound o-acyltransferase gene family, seems to work in conjunction with Slc1 to mediate the incorporation of unsaturated acyl chains into the sn-2 position of phospholipids.
Promoter methylation regulates cyclooxygenase expression in breast cancer (2004)

These results indicate that COX-2 promoter methylation may be one mechanism by which tumor cells regulate COX-2 expression. Upregulation of COX-2 expression in closely related metastatic lesions versus nonmetastatic lesions may represent a shift towards the unmethylated phenotype.
View-dependent simplification of arbitrary polygonal environments (1997)

Article Free Access Share on View-dependent simplification of arbitrary polygonal environments Authors: David Luebke Department of Computer Science, University of North Carolina at Chapel Hill Department of Computer Science, University of North Carolina at Chapel HillView Profile , Carl Erikson Department of Computer Science, University of North Carolina at Chapel Hill Department of Computer Science, University of North Carolina at Chapel HillView Profile Authors Info & Claims SIGGRAPH '97: Proceedings of the 24th annual conference on Computer graphics and interactive techniquesAugust 1997 Pages 199–208https://doi.org/10.1145/258734.258847Published:03 August 1997Publication History 332citation1,187DownloadsMetricsTotal Citations332Total Downloads1,187Last 12 Months85Last 6 weeks11 Get Citation AlertsNew Citation Alert added!This alert has been successfully added and will be sent to:You will be notified whenever a record that you have chosen has been cited.To manage your alert preferences, click on the button below.Manage my AlertsNew Citation Alert!Please log in to your account Save to BinderSave to BinderCreate a New BinderNameCancelCreateExport CitationPublisher SiteeReaderPDF
Ein- und zweidimensionale Formen (1996)

In diesem Kapitel finden Sie die Strukturdaten für 76 Moleküle und Ionen im Maßstab 300.000.000: 1 (demselben Maßstab wie für die Moleküle in Kapitel 1). In allen Fällen ist die Anordnung der Atome um das Zentralatom herum entweder ein- oder zweidimensional. Aber nicht jedes Molekül ist flach. Beispielsweise befinden sich die Wasserstoffatome im Allen in zwei zueinander senkrechten Ebenen, und die CH3Gruppen des Dimethylethers sind tetraedrisch. Dieser dreidimensionale Charakter wurde nicht dargestellt.
Functional expression of the taste specific G-protein, α-gustducin (1995)

The taste-specific G-protein alpha-subunit, alpha-gustducin, was expressed using a baculovirus based system. alpha-Gustducin was demonstrated to be myristoylated and was also palmitoylated in insect larval cells. Recombinant alpha-gustducin was purified to homogeneity. Neither receptors nor effectors that interact with gustducin in taste are known. However, alpha-gustducin has a close structural similarity to the visual G-protein, alpha-transducin. Therefore alpha-gustducin was reconstituted with components of the visual system to determine the degree of its functional similarity with alpha-transducin. Despite the fact that the sequences of alpha-gustducin and alpha-transducin share only 80% identity with each other, the interactions and functions of these two proteins were quantitatively identical. These included the interaction with receptor, bovine rhodopsin, with effector, bovine retinal cyclic GMP-phosphodiesterase, and with bovine brain and retinal G-protein beta gamma-heterodimers; receptor-catalysed GDP-GTP exchange and the intrinsic GTPase activity of alpha-gustducin and alpha-transducin were also identical. Gi alpha which is 70% identical with alpha-transducin interacts with different receptor and effector proteins and has very different guanine-nucleotide binding properties. Therefore, the functional equivalence of alpha-gustducin and alpha-transducin suggest that taste buds are likely to contain receptor and effector proteins that share many properties with their retinal equivalents.
Crystal structure of plasma kallikrein reveals the unusual flexibility of the S1 pocket triggered by Glu217 (2018)

EC: 3.4.21.34.
Principles and applications of organotransition metal chemistry (1980)

A perspective Bonding Survey of organotransition metal complexes according to ligand Ligand substitution processes Oxidative-addition and reductive elimination Intramolecular insertion reactions Nucleophilic attack on ligands coordinated to transition metals Electrophilic attacks on coordinated ligands Metallacycles Homogeneous catalytic hydrogenation, hydrosilation, and hydrocyanation Catalytic polymerization of olefins and acetylenes Catalytic reactions involving carbon monoxide Synthetic applications of transition metal hydrides Synthetic applications of transition metal complexes containing metal carbon bonds Synthetic applications of transition metal carbonyl compounds Synthetic application of transition metal carbenes and metallacycles Synthetic applications of transition metal alkene, diene, and duenyl complexes Synthetic applications of transition metal alkyne complexes Synthetic applications of -allyl transition metal complexes Synthetic applications of transition metal arene complexes.
Design and performance tests of a LED-based two-dimensional wireless crack propagation sensor (2015)

In this study, a wireless light-emitting diode (LED)-based crack sensor is proposed for monitoring two-dimensional crack propagation on concrete structures. This sensor is developed by incorporating a LED optical navigation sensor board (ADNS-2620) into a smart wireless platform (Arduino Pro Mini + XBee). To measure crack propagation, the Arduino Pro Mini sends a signal to the ADNS-2620 to collect a sequence of images reflected from a grid pattern attached on a concrete surface. The normalized cross-correlation method is used to compute the two-dimensional crack propagation using the image sequence. Three different computational approaches were proposed and studied: the moving reference, the absolute reference, and the hybrid reference. The computed crack movements can then be transmitted wirelessly through the XBee modulus to a base station. The design of this sensor is reported herein followed by a series of calibration and performance tests. Results of the performance test on a shake table show that the accuracy of sensor is in the order of 13 µm. A bending test on a concrete beam is further used to illustrate the applicability of the sensor. Results show that the proposed sensor has a potential for monitoring crack propagation of concrete structures. Comparing to a previously developed laser-based crack sensor, the proposed LED-based crack sensor offers a better accuracy but with one third less of power consumption. Copyright © 2015 John Wiley & Sons, Ltd.
A strategy of DNA sequencing employing computer programs (1979)

With modern fast sequencing techniques and suitable computer programs it is now possible to sequence whole genomes without the need of restriction maps. This paper describes computer programs that can be used to order both sequence gel readings and clones. A method of coding for uncertainties in gel readings is described. These programs are available on request.
Optimizing data analysis with a semi-structured time series database (2010)

Most modern systems generate abundant and diverse log data. With dwindling storage costs, there are fewer reasons to summarize or discard data. However, the lack of tools to efficiently store and cross-correlate heterogeneous datasets makes it tedious to mine the data for analytic insights. In this paper, we present Splunk, a semistructured time series database that can be used to index, search and analyze massive heterogeneous datasets. We share observations, lessons and case studies from real world datasets, and demonstrate Splunk’s power and flexibility for enabling insightful data mining searches. 1
Design and validation of an angle-resolved low-coherence interferometry fiber probe for in vivo clinical measurements of depth-resolved nuclear morphology (2011)

We present a novel Fourier-domain angle-resolved low-coherence interferometry (a /LCI) fiber probe designed for in vivo clinical application in gastrointestinal endoscopy. The a/LCI technique measures the depth-resolved angular scattering distribution to determine the size distribution and optical density of cell nuclei for assessing the health of epithelial tissues. Clinical application is enabled by an endoscopic fiber-optic probe that employs a 2.3-m-long coherent fiber bundle and is compatible with the standard 2.8-mm-diam biopsy channel of a gastroscope. The probe allows for real-time data acquisition by collecting the scattering from multiple angles in parallel, enabled by the Fourier domain approach. The performance of the probe is characterized through measurement of critical parameters. The depth-resolved sizing capability of the system is demonstrated using single- and double-layer microsphere phantoms with subwavelength sizing precision and accuracy achieved. Initial results from a clinical feasibility test are also presented to show in vivo application in the human esophagus.
Molecular evidence for putative tumour suppressor genes on chromosome 13q specific to BRCA1 related ovarian and fallopian tube cancer (2002)

Several loci on chromosome 13q show high frequencies of LOH in BRCA1 related ovarian and fallopian tube cancer, and may therefore harbour putative tumour suppressor genes involved in the carcinogenesis of this particular type of hereditary cancer.
The current status of gene therapy using hematopoietic stem cells (1995)

Gene transfer into hematopoietic stem cells may provide a novel treatment for a number of congenital hematologic and immunologic diseases. Retroviral vectors are currently the most effective gene transfer system, but they have significant limitations. New approaches using other vector systems, stem cells from umbilical cord blood, or cytokine-mobilized peripheral blood stem cells may increase gene transfer efficiency. The current capabilities and obstacles to successful implementation of gene therapy with hematopoietic stem cells are discussed.
GENETICS OF SOMATIC MAMMALIAN CELLS (1958)

A convenient, reliable method for chromosome delineation of animal cells grown as monolayers on glass has been applied to human, opossum, and Chinese hamster cells. Tissue cultured cells from 5 different, normal organs of 7 different human subjects uniformly displayed the expected chromosome number of 46 and showed no variations in morphology or number other than the expected sex differences and a small incidence of polyploidy. The chromosomes of normal cells from the American opossum were as uniform as those of human cells. Cells of the inbred Chinese hamster demonstrated appreciable karyotype variability, the cause of which is under investigation. The chromosome number and morphology of cells from normal human tissues have remained constant after more than 5 months of continuous, rapid growth in tissue culture involving scores of vessel transfers and a number of generations equivalent to many billions of progeny. By the use of routine recloning, even cells of malignant, aneuploid constitution have been maintained in active growth for 3 years and hundreds of generations, with stable chromosomal and metabolic characteristics. The cells of the American opossum and Chinese hamster which possess only 22 chromosomes have been established in vitro and are especially suitable for genetic studies. The readily recognizeable Y and X chromosomes of the male opossum are particularly favorable as cytological markers. Photomicrographs of the chromosomes of the various cells employed are presented.
Bayesian Inference for Causal Effects: The Role of Randomization (1978)

Causal effects are comparisons among values that would have been observed under all possible assignments of treatments to experimental units. In an experiment, one assignment of treatments is chosen and only the values under that assignment can be observed. Bayesian inference for causal effects follows from finding the predictive distribution of the values under the other assignments of treatments. This perspective makes clear the role of mechanisms that sample experimental units, assign treatments and record data. Unless these mechanisms are ignorable (known probabilistic functions of recorded values), the Bayesian must model them in the data analysis and, consequently, confront inferences for causal effects that are sensitive to the specification of the prior distribution of the data. Moreover, not all ignorable mechanisms can yield data from which inferences for causal effects are insensitive to prior specifications. Classical randomized designs stand out as especially appealing assignment mechanisms designed to make inference for causal effects straightforward by limiting the sensitivity of a valid Bayesian analysis.
Short-term and long-term possibilities for interventive gerontology. (1991)

Worldwide demographic trends, including the aging of the human population and the steadily declining fertility rate in developed nations, are creating enormous economic pressures due to the ever-increasing demand for health care services for the elderly and the ever-decreasing ability of the young to pay for these services. An attractive cost-containment strategy is accelerated research on basic molecular mechanisms of aging and rapid clinical application of the results. This approach should result in maintenance of health and productivity over a longer fraction of the lifespan and thereby to a reduction in the ratio of health care expenditures to lifelong earnings. This strategy should lead to many important improvements in the human condition. Sooner or later, our armamentarium will be supplemented by powerful and useful tools from the field of molecular engineering. With proper care, both these developments may help us to live longer, healthier, happier lives.
Bayesian Vector Autoregressions with Stochastic Volatility (1996)

This paper proposes a Bayesian approach to a vector autoregression with stochastic volatility, where the multiplicative evolution of the precision matrix is driven by a multivariate beta variate.Exact updating formulas are given to the nonlinear filtering of the precision matrix.Estimation of the autoregressive parameters requires numerical methods: an importance-sampling based approach is explained here.