gebhart/patrepeval huggingface dataset:
COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds (1998)

A general all-atom force field for atomistic simulation of common organic molecules, inorganic small molecules, and polymers was developed using state-of-the-art ab initio and empirical parametrization techniques. The valence parameters and atomic partial charges were derived by fitting to ab initio data, and the van der Waals (vdW) parameters were derived by conducting MD simulations of molecular liquids and fitting the simulated cohesive energies and equilibrium densities to experimental data. The combined parametrization procedure significantly improves the quality of a general force field. Validation studies based on large number of isolated molecules, molecular liquids and molecular crystals, representing 28 molecular classes, show that the present force field enables accurate and simultaneous prediction of structural, conformational, vibrational, and thermophysical properties for a broad range of molecules in isolation and in condensed phases. Detailed results of the parametrization and validation for alkane and benzene compounds are presented.
Image authentication by exact histogram specification (2002)

The paper proposes a spatial domain watermarking scheme for image authentication and, in case image content has been changed, for localization of the altered area. A pseudo-random set of pixels is selected by using a secret key and is marked with a visually meaningful watermark by exact histogram specification. The exact recovery of the watermark authenticates the image. Specially designed watermarks are used to locate the altered area. Image visual aspect as well as image histogram are preserved. The approach addresses gray level and color images as well.
Clinical Efficacy of Polymer-Based Paclitaxel-Eluting Stents in the Treatment of Complex, Long Coronary Artery Lesions From a Multicenter, Randomized Trial (2005)

The finding that the TAXUS Moderate Release stent system is safe and effective in the treatment of long, complex coronary artery lesions provides the evidence base for the more widespread use of drug-eluting stents in contemporary clinical practice.
Cloning Large Gene Clusters from <i>E. coli</i> Using <i>in Vitro</i> Single-Strand Overlapping Annealing (2012)

Despite recent advances in genomic sequencing and DNA chemical synthesis, construction of large gene clusters containing DNA fragments is still a difficult and expensive task. To tackle this problem, we developed a gene cluster extraction method based on in vitro single-strand overlapping annealing (SSOA). It starts with digesting the target gene cluster in an existing genome, followed by recovering digested chromosome fragments. Subsequently, the single-strand DNA overhangs formed from the digestion process would be specifically annealed and covalently joined together with a circular and a linear vector, respectively. The SSOA method was successfully applied to clone a 18 kb DNA fragment encoding NADH:ubiquinone oxidoreductase. Genomic DNA fragments of different sizes including 11.86, 18.33, 28.67, 34.56, and 55.99 kb were used to test the cloning efficiency. Combined with genetic information from KEGG and the KEIO strain collection, this method will be useful to clone any specific region of an E. coli genome at sizes less than ~28 kb. The method provides a cost-effective way for genome assembly, alternative to chemically synthesized gene clusters.
Carbonic Anhydrase in Mammalian Vascular Smooth Muscle (2004)

Carbonic anhydrase (CA) is ubiquitously expressed and plays a pivotal role in acid-base balance, ion transport, and gas exchange. Limited observations by others, derived from functional, pharmacological, and histochemical studies, suggest that CA is present in vascular smooth muscle and is involved in vasoregulation. The present study, using measurements of bioactivity, inhibition characteristics, and immunohistochemical analysis, was undertaken to more fully evaluate CA in vascular smooth muscle. In isolated bovine aortic smooth muscle, which is devoid of erythrocytes, CA is present in low concentrations with a CO(2) hydration activity (at 0C) of 3.5 +/- 2.7 U/g. The I(50) for acetazolamide inhibition is 0.07 +/- 0.01 microM. Results with dorzolamide and bromopyruvate, selective inhibitors of the CA II and I isozymes, respectively, show that roughly 75% of the CA activity is accounted for by CA I, with 20% due to CA II. These results accord qualitatively with immunocytochemical staining with specific CA I and II antibodies, showing that both isozymes are present and that their staining co-localizes with cells positive for smooth muscle alpha-actin. These data establish the activity, inhibition, and isozyme pattern of carbonic anhydrase expression in mammalian vascular smooth muscle.
On the Adsorption Process in Polymer Brushes:  A Monte Carlo Study (1996)

The adsorption process of the single polymer chain in a polymer brush of varying surface coverages is studied by means of Monte Carlo simulations of the bond-fluctuation lattice model. Only the end monomers can adsorb at the grafting surface, whereas inner monomers interact repulsively with it. The brush builds up a steric hindrance which forces the penetrating polymer to stretch strongly and which is responsible for small adsorption probabilities at surface coverages close to the overlap density. The final step of the adsorption process is determined by a fluctuation of the end monomer around its average position, which is comparable to the initial step of the desorption process.
Green and Sustainable Chemical Synthesis Using Flow Microreactors (2010)

Several features that allow flow microreactors contribute to green and sustainable chemical synthesis are presented: (1) For extremely fast reactions, kinetics often cannot be used because of the lack of homogeneity of the reaction environment when they are conducted in batch macroreactors. Better controllability, by virtue of fast mixing based on short diffusion paths in microreactors, however, leads to a higher selectivity of the products, based on kinetics considerations. Therefore, less waste is produced. (2) Reactions involving highly unstable intermediates usually require very low temperatures when they are conducted in macrobatch reactors. By virtue of short residence times, flow microreactors enable performing such reactions at ambient temperatures, avoiding cryogenic conditions and minimizing the energy required for cooling. (3) By virtue of the precise residence time control, flow microreactors allow to avoid the use of auxiliary substances such as protecting groups, enabling highly atom- and step-economical straightforward syntheses. The development of several test plants based on microreaction technology has proved that flow microreactor synthesis can be applied to the green and sustainable production of chemical substances on industrial scales. (4) Microreactor technology enables on-demand and on-site synthesis, which leads to less energy for transportation and easy recycling of substances.
Recognition and Localization Methods for Vision-Based Fruit Picking Robots: A Review (2020)

The utilization of machine vision and its associated algorithms improves the efficiency, functionality, intelligence, and remote interactivity of harvesting robots in complex agricultural environments. Machine vision and its associated emerging technology promise huge potential in advanced agricultural applications. However, machine vision and its precise positioning still have many technical difficulties, making it difficult for most harvesting robots to achieve true commercial applications. This article reports the application and research progress of harvesting robots and vision technology in fruit picking. The potential applications of vision and quantitative methods of localization, target recognition, 3D reconstruction, and fault tolerance of complex agricultural environment are focused, and fault-tolerant technology designed for utilization with machine vision and robotic systems are also explored. The two main methods used in fruit recognition and localization are reviewed, including digital image processing technology and deep learning-based algorithms. The future challenges brought about by recognition and localization success rates are identified: target recognition in the presence of illumination changes and occlusion environments; target tracking in dynamic interference-laden environments, 3D target reconstruction, and fault tolerance of the vision system for agricultural robots. In the end, several open research problems specific to recognition and localization applications for fruit harvesting robots are mentioned, and the latest development and future development trends of machine vision are described.
[3D region growing algorithm driven by morphological dilation for airway tree segmentation in image guided therapy]. (2013)

The precise three-dimensional (3-D) segmentation of airway from CT image is essential for the image-guided therapy, which helps avoid a serious airway injury. We proposed a new segmentation algorithm for the calculation. Firstly, region growing method was employed to segment the main bronchioles (rough segmentation). And then region growing driven by morphology dilation was used to expand the airway region, where centerline of airway tree was extracted. Terminal bronchia (fine segmentation) were segmented along the centerline. Ultimately, rough and fine segmentation results are combined by a logical OR as final airway tree. Quantitative comparisons with 6 sets of manual segmentation results showed that the algorithm could be used to segment up to 9 bronchia, and the average branch sensitivity of 6th was 63.5%, meeting the requirement of airway tree in the image-guided therapy.
Photocrosslinkable comb‐like polymers for membranes: polyamides from modified 5‐aminoisophthalic acid and aromatic diamines (1996)

Abstract A series of new comb‐like aromatic polyamides containing cinnamoyl groups in the side chains were synthesized by acylation of 5‐aminoisophthalic acid with 4‐alkoxycinnamoyl chlorides or N ‐cinnamoyl‐6‐aminocaproyl chloride in DMAc solution and then polycondensated directly with various aromatic diamines. The preparation of homogeneous photocrosslinkable membranes from NMR solution was performed. The products were characterized by IR and NMR spectroscopy and thermal analysis. An amorphous structure was proved in all cases. A strong influence of the side‐chain structure on the photoreactivity has been observed.
Characterization of ursolic acid as a lipoxygenase and cyclooxygenase inhibitor using macrophages, platelets and differentiated HL60 leukemic cells (1992)

A new property of ursolic acid, lipoxygenase and cyclooxygenase inhibition, has been described in an acetone-extract of heather flowers (Calluna vulgaris) which could help explain the anti-inflammatory characteristics of this plant. In mouse peritoneal macrophages, human platelets and differentiated HL60 leukemic cells, ursolic acid, at 1 microM, blocks arachidonate metabolism.
SUMO-Dependent Compartmentalization in Promyelocytic Leukemia Protein Nuclear Bodies Prevents the Access of LRH-1 to Chromatin (2005)

Posttranslational modification by SUMO elicits a repressive effect on many transcription factors. In principle, sumoylation may either influence transcription factor activity on promoters, or it may act indirectly by targeting the modified factors to specific cellular compartments. To provide direct experimental evidence for the above, not necessarily mutually exclusive models, we analyzed the role of SUMO modification on the localization and the activity of the orphan nuclear receptor LRH-1. We demonstrate, by using fluorescence resonance energy transfer (FRET) and fluorescence recovery after photobleaching (FRAP) assays, that sumoylated LRH-1 is exclusively localized in promyelocytic leukemia protein (PML) nuclear bodies and that this association is a dynamic process. Release of LRH-1 from nuclear bodies correlated with its desumoylation, pointing to the pivotal role of SUMO conjugation in keeping LRH-1 in these locations. SUMO-dependent shuttling of LRH-1 into PML bodies defines two spatially separated pools of the protein, of which only the soluble, unmodified one is associated with actively transcribed target genes. The results suggest that SUMO-PML nuclear bodies may primarily function as dynamic molecular reservoirs, controlling the availability of certain transcription factors to active chromatin domains.
The Influences of Modern Science and Technology on Art (2004)

Modern science and technology have broad,deep influences on the whole society of human beings.As a peculiar phenomenon of human beings,art ties closely up with modern science and technology.To the development of art,modern science and technology not only have great stimulative effect,but also have big negative effect.This is an unavoidable task of our time.
A preliminary investigation of extracellular enzyme production toy some species of Aspergillus (1985)

The ability of four species of Aspergillus, viz. A. flavus, A. versicolor, A. candidus and an A. glaucus group member, to produce extracellular enzymes was investigated using solid media and liquid culture. The most xerotolerant of the species tested, A. glaucus sp., exhibited no amylolytic, lipase or protease activity on any salt-containing, nutrient-deficient media, while A. versicolor, which is less xerotolerant, produced the starch-degrading enzymes, but only at low salt concentrations (5%) in the medium. A. candidus and A. flavus, being the least xerotolerant, however, both exhibited vigorous protease and lipase activity (5% NaCI) but moderate amylolytic activity, although A. candidus alone had the ability to produce amylase and protease at high salt concentrations (10% and 15% NaCI, respectively). The suggestion is made that these fungi affect seed deterioration by different strategies and this may depend on the spectrum of extracellular enzymes produced. It would appear that there is a shift in the type of enzyme produced, from those that degrade polysaccharides (xerotolerant fungi) to proteases and lipases (less xerotolerant fungi). S. Afr. J. Bot. 1985, 51: 425–431 Die vermoë van vier Aspergillus-spesies, A. flavus, A. versicolor, A. candidus en ‘n A. glaucus-groeplid, om ekstraselIulêre ensieme te produseer, is ondersoek deur van soliede en vloeibare groeimedia gebruik te maak. Die mees droogtebestande soort, A. glaucus, het geen amilolitiese, lipase- of protease-aktiwiteit op enige southoudende, voedingsarm media getoon nie, terwyl A. versicolor, wat minder droogtebestand is, ‘n styselafbrekende ensiem geproduseer het maar slegs by lae soutkonsentrasies (5%) in die medium. A. candidus en A. flavus, wat minder droogtebestand is, toon sterk protease-en Iipase-aktiwiteit (5 % NaCI) maar matige amilolitiese aktiwiteit, alhoewel A. candidus alleen die verrhoë besit om amilase en protease by hoe soutkonsentrasies (10% en 15% NaCI, respektiewelik) te produseer. Daar word voorgestel dat hierdie fungi saadverval op verskillende maniere beïnvloed, en dit hang af van die spektrum ekstrasellulêre ensieme wat geproduseer word. Dit wil voorkom of daar ‘n verskuiwing is in die tipe ensiem wat geproduseer word, van die wat polisaggariede afbreek (droogtebestande fungi) tot protease en lipase (minder droogtebestande fungi). S.-Afr. Tydskr. PIantk. 1985, 51: 425 — 431
Determination of femtomole concentrations of catecholamines by high-performance liquid chromatography with peroxyoxalate chemiluminescence detection (1992)

A highly sensitive method for determination of the plasma catecholamines, norepinephrine (NE), epinephrine (E) and dopamine (DA) is described. The method consists of the extraction of the catecholamines, using 3,4-dihydroxybenzylamine as internal standard, from plasma with alumina (5 mg), followed by a reversed-phase column separation, on-column fluorogenic derivatization with ethylenediamine (ED) and post-column peroxyoxalate chemiluminescent reaction detection utilizing bis[4-nitro-2-(3,6,9-trioxadecyl-oxycarbonyl)phenyl] oxalate (TDPO) and hydrogen peroxide. In order to optimize the reaction conditions for high-performance liquid chromatography to obtain highly sensitive detection, the effects of changing reagent compositions on the chemiluminescence yield were investigated. The following are the optimized conditions. Eluent, a mixture of 50 mmol l-1 potassium acetate (pH 3.20)-50 mmol l-1 potassium phosphate (pH 3.20)-acetonitrile (90.15 + 4.85 + 3 v/v/v) containing 1 mmol l-1 sodium hexanesulfonate (40 degrees C) and flow rate, 0.5 ml min-1. Fluorogenic reagent solution, 105 mmol l-1 ED and 175 mmol l-1 imidazole in acetonitrile-ethanol (90 + 10 v/v) and flow rate, 0.25 ml min-1. Reaction coil (15 m x 0.5 mm i.d.) heated at 80 degrees C. Chemiluminogenic reagent solution, 0.25 mmol l-1 TDPO, 150 mmol l-1 hydrogen peroxide and 110 mmol l-1 trifluoroacetic acid in dioxane-ethyl acetate (50:50 v/v) and flow rate, 1.4 ml min-1. The detection limits for all the catecholamines were 1 fmol (signal-to-noise ratio at 2). The standard deviations of the method for the determination of NE, E and DA added to rat plasma (2.5 nM) were 3, 3 and 4%, respectively.(ABSTRACT TRUNCATED AT 250 WORDS)
Introduction (2002)

Extract As the century turns, state‐sponsored care and social protection in all of the advanced industrialized countries have entered a new era, marked not just by a temporal rotation but also by material developments that have deep and lasting implications. In the United Kingdom, Tony Blair's New Labour policies show no hesitation in privatizing the delivery of public services; the Social Democrats in Sweden have initiated the partial privatization of old‐age pensions; reforms in Germany have introduced significant incentives for citizens to open private pension accounts for their old age; and throughout Europe and the United States changes in unemployment, disability, and social assistance programs have demonstrably qualified historic rights to public aid by a persistent emphasis on the responsibility to work and to be independent. As the generous scope of and access to public benefits contract, change is in the air, as well as in the substance of social provisions—to which some will no doubt respond, "Yes, well, la plus c& undefined;a change.. . . " But in regard to state‐sponsored social protection, things have really not stayed the same.
Low-power memory mapping through reducing address bus activity (1999)

Arrays in behavioral specifications that are too large to fit into on-chip registers are usually mapped to off-chip memories during behavioral synthesis. We address the problem of system power reduction through transition count minimization on the memory address bus when these arrays are accessed from memory. We exploit regularity and spatial locality in the memory accesses and determine the mapping of behavioral array references to physical memory locations to minimize address bus transitions. We describe array mapping strategies for two important memory configurations: all behavioral arrays mapped to a single off-chip memory and arrays mapped into multiple memory modules drawn from a library. For the single memory configuration, we describe a heuristic for selecting a memory mapping scheme to achieve low power for each behavioral array. For mapping into a library of multiple memory modules, we formulate the problem as three logical-to-physical memory mapping subtasks and present experiments demonstrating the transition count reductions based on our approach. Our experiments on several image processing benchmarks show power savings of up to 63% through reduced transition activity on the memory address bus in the single memory case. We also observe a further transition count reduction by a factor of 1.5-6.7 over a straightforward mapping scheme in the multiple memories configuration.
The Handbook of Metabolomics (2012)

Vital to academic researchers, the medical field, and especially to biotech and pharmaceutical scientists, metabolomics is a rapidly expanding field that will provide a key link between functional bio
Conservation of Breast Cancer Molecular Subtypes and Transcriptional Patterns of Tumor Progression Across Distinct Ethnic Populations (2004)

Our results suggest that molecularly similar subtypes of breast cancer are indeed broadly conserved between Asian and Caucasian patients, and that these subtypes are already present at the preinvasive stage of carcinogenesis. To our knowledge, this study is among the first to directly compare the expression profiles of breast tumors across two different ethnic populations.
Augmentation of Fingerprints for Indoor WiFi Localization Based on Gaussian Process Regression (2018)

WiFi-Fingerprint is extensively utilized for indoor localization with the advent of the high-density wireless networks deployment and research on ubiquitous intelligence. Nevertheless, establishing an elaborate radio map for localization is a highly time-consuming task. Aiming to alleviate this problem and enhance WiFi-based indoor localization accuracy, this paper has done the following contributions. First, we present Gaussian process regression models to predict the spatial distribution of signal strength in the uncalibrated domain with limited known labeled fingerprints in reference points. As a result, deployment effort for radio mapping can be greatly reduced. Second, in order to acquire fingerprints data with higher accuracy, the compound kernels for received signal strength (RSS) prediction models are presented. Finally, the definite position is determined with the weighted Similarity K-Nearest Neighbor localization algorithm when new observation RSS is collected. The experiments show that compared with the original reference fingerprints localization system, the proposed localization system explicitly reduces the localization error. The results further demonstrate that our method can augment the fingerprints and improve the accuracy of fingerprint-based indoor localization without extra manual calibration or adding dedicated infrastructure.
Investigation of microgrids (2006)

A three phase microgrid test rig with representative power loads, rotating generation and an energy storage system has been designed and built. This paper describes the test rig and the use of the test rig in developing the energy storage interface control.
Inorganic coordination polymers. XII. Chromium(III) tris(phosphinates) (1973)

Abstract Cohesive films of a series of chromium(III) tris(phosphinates)[Cr(OPRR′O)(OPR″‐R‴O)(OPR * R ** O)] y in which the side groups on the phosphorus are alkyl, phenyl, and/or hydrogen groups have been prepared by reaction casting or by hot pressing. The preparative reaction appears to involve conversion of an aquahydroxo or hydroxo chromium(III) bis(phosphinate) to an intermediate hydroxo bis(phosphinate) containing coordinated phosphinic acid followed by an intrachain reaction leading to the tris(phosphinate). Tensile strengths of the chromium(III) tris(phosphinates) range from 100 to 5600 psi, elongations from less than 1 to 100%. Thermogravimetric data indicate that major decomposition occurs at temperatures from 200 to 435°C in air and from 410 to 510°C in nitrogen. Infrared spectra and physical properties are interpreted to support a structure for the chromium(III) tris(phosphinates) which is based on linear, triple‐bridged chains. The presence of octyl or other long alkyl side groups on the phosphorus improves the physical properties, presumably by internal plasticization, but leads to decreased thermal stability.