gebhart/patrepeval huggingface dataset:
Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform (2002)

Diversity-oriented synthesis of structurally complex and diverse small molecules can be used as the first step in a process to explore cellular and organismal pathways. The success of this process is likely going to be dependent on advances in the synthesis of small molecules having natural product-like structures in an efficient and stereoselective manner. The development, scope, and mechanism of the oxidation of organocuprates was investigated and exploited in the atropdiastereoselective synthesis of biaryl-containing medium rings (9-, 10-, and 11-membered rings). The methodology was performed on high-capacity, large polystyrene beads by metalating aryl bromides with i-PrBu(2)MgLi, followed by transmetalating with CuCN x 2LiBr and then oxidizing with 1,3-dinitrobenzene, and was used in a diversity-oriented synthesis of biaryl-containing medium rings (library total theoretical maximum 1412 members). The high capacity beads were arrayed into 384-well plates and, using a process optimized during the development of a one bead/one stock solution technology platform, converted into arrays of stock solutions, with each stock solution containing largely one compound. These stock solutions were used in numerous phenotypic and protein-binding assays. The process described outlines a pathway that we feel will contribute to a comprehensive and systematic chemical approach to exploring biology (chemical genetics).
A Live Cell Enzyme-Linked Immunosorbent Assay for Detecting Human Hepatoma Membrane Antigens (1989)

Live cell enzyme-linked immunosorbent (ELISA) and fixed cell indirect immunofluorescence (IF) assays were compared to screen mouse hybridomas producing immunoreactive monoclonal antibodies against cell membrane antigens expressed on Ha22T, a human hepatoma cell line. While performing live cell ELISA, two parameters were tested to improve the viability of the target cells. The first parameter was the inclusion of growth medium in the assay buffers, and the second was performing the assay incubations at 37 degrees C in an incubator containing 5% CO2 in the air. Fixed cell IF detected and classified 46% of the hybridomas secreting monoclonal antibodies reactive with membrane, cytoplasm, cytoskeleton, and nuclear antigens of Ha22T cells. Fixed cell IF was able to reveal mixtures of two or more hybridomas growing in the same well secreting antibodies to different cell organelles. The live cell ELISA, on the other hand, identified 12 additional membrane reactive monoclonal antibodies from the hybridoma supernatants that were not reactive by IF. These results disclose that cell fixation procedures used for IF either completely or partially inactivated some of the cell membrane antigens. We, therefore, propose the use of a combination of immunoassays to select the maximum number of hybridomas secreting useful monoclonal antibodies from somatic cell fusions.
Technical Support Document: Development of the Advanced Energy Design Guide for Medium Box Retail -- 50% Energy Savings (2008)

This report provides recommendations that architects, designers, contractors, developers, owners, and lessees of medium box retail buildings can use to achieve whole-building energy savings of at least 50% over ASHRAE Standard 90.1-2004. The recommendations are given by climate zone and address building envelope, fenestration, lighting systems, HVAC systems, building automation and controls, outside air treatment, service water heating, plug loads, and photovoltaic systems. The report presents several paths to 50% savings, which correspond to different levels of integrated design. These are recommendations only, and are not part of a code or standard. The recommendations are not exhaustive, but we do try to emphasize the benefits of integrated building design, that is, a design approach that analyzes a building as a whole system, rather than as a disconnected collection of individually engineered subsystems.
Rank-energy selective query forwarding for distributed search systems (2013)

Scaling high-quality, cost-efficient query evaluation is critical to search system performance. Although partial indexes reduce query processing times, result quality may be jeopardized due to exclusion of relevant non-local documents. Selectively forwarding queries between geographically distributed search sites may help. The basic idea of query forwarding is that after a local site receives a query, it determines non-local sites to forward the query to and returns an aggregation of the local and non-local results. Nevertheless, electricity costs remain substantial sources of operating expenses. We present a hybrid rank-energy query forwarding model termed "RESQ." The novel contribution is to simultaneously consider both ranking quality and spatially-temporally varying energy prices when making forwarding decisions. Experiments with a large-scale query log, publicly-available electricity price data, and real search site locations demonstrate that query forwarding under RESQ achieves the result scalability of partial indexes with the cost savings of energy-aware approaches (e.g., an 87% ranking guarantee with a 46% savings in energy costs).
Clinical Correlates and Repetition of Self-Harming Behaviors Among Female Adolescent Victims of Sexual Abuse (2005)

This study investigated self-harming behaviors in 149 female adolescent victims of sexual abuse, first, by determining the rates of nine types of self-mutilating behavior at intake and nine months later and, second, by investigating comorbidity of clinical correlates associated with these behaviors. The adolescents were divided into three groups according to level of self-mutilating behavior and then compared on symptom self-reports; 62.1% of the adolescents engaged in at least one self-mutilating behavior. A graded relation was observed between level of self-mutilating behavior and rate, and total number of clinical disorders. At nine month follow-up, one in four teenagers still reported a moderate or high level of self-harm. The need for systematic assessment and intervention of self-mutilating behaviors is discussed.
Protein‐Coated Porous‐Silicon Photonic Crystals for Amplified Optical Detection of Protease Activity (2006)

An optical biosensor for protease activity, capable of detecting picomole quantities of protease, is constructed from a 1D photonic crystal of porous Si. The porous Si layer is coated with a thin film of zein, a natural hydrophobic protein. Proteolytic cleavage produces small fragments that infiltrate the pores of the photonic crystal, producing a distinct color change (see figure). The amount of protease pepsin used on each of the spots is indicated. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2089/2006/c2420_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
Current-Charge-Pump Residue Amplification for Ultra-Low-Power Pipelined ADCs (2011)

A low-power multiplying digital-to-analog conversion (MDAC) circuit realization using a current-charge-pump (CCP) residue amplifier is presented. It takes advantage of the improved timing resolution in advanced CMOS technologies by transforming the voltage signal into an equivalent time-domain representation. The proposed CCP MDAC only uses switches, current sources, capacitors, and a comparator. It occupies a small area and achieves high power efficiency by eliminating operational transconductance amplifiers for the interstage amplification and by avoiding power-hungry buffers for the reference voltages. The CCP amplifier principle is demonstrated in a 1-V 100-MS/s 8-bit CCP pipelined analog-to-digital conversion proof-of-concept prototype in a 90-nm CMOS.
Safety and Efficacy of Hemoglobin-Vesicles and Albumin-Hemes (2005)

have worked together on artificial O 2 carrier research for 20 years in close cooperation. Two candidate materials have been selected from the viewpoints of safety, efficacy, and cost performance. One is Hemoglobin-vesicles (HbV) and the other is albuminheme (rHSA-heme). This chapter summarizes our video presentation that introduced the recent results of our research into HbV and rHSA-heme.
Polarization-independent and contrast-ratio-enhancing module for all-optical wavelength shifting using SOAs (1996)

Summary form only given. In this paper, we demonstrate a polarization independent and contrast-ratio-enhancing wavelength shifting module, which consists of two polarization-dependent semiconductor optical amplifiers (SOAs). With proper polarization alignment, we perform 1 Gbit/s wavelength upshifting over 19 nm and reduce the power penalty for the shifter module from 5 dB to 1.5 dB and polarization dependence from 3.5 dB to 0.5 dB in comparison to a wavelength shifter compost of a single SOA.
FLAASH and MODTRAN4: state-of-the-art atmospheric correction for hyperspectral data (1999)

FLAASH (Fast Line-of-sight Atmospheric Analysis of Spectral Hypercubes) is a MODTRAN-based "atmospheric correction" software package which is being developed by the Air Force Research Laboratory, Hanscom AFB, and Spectral Sciences, Inc., to support current and planned SWIR/visible/UV hyperspectral and multispectral sensors, typically in image format. The AF intent is to provide surface reflectance and emissivity image cubes of sufficient accuracy for input into subsequent analyses of surface properties, effectively removing the atmospheric component. The main objectives are (1) accurate, physics-based descriptions of surface and atmospheric properties (such as surface albedo, relative elevation, water vapor column, aerosol and cloud optical properties, and temperatures), (2) minimal computational time requirements, and (3) interactive, user-friendly interface for generating MODTRAN4-based look-up tables. Validation and development exercises are being carried out on data from the airborne AVIRTS and HYDICE sensors, which cover the 0.4-2.5 /spl mu/m region; applications are also planned for infrared sensors. The algorithms for deriving the surface and atmospheric properties utilize the full MODTRAN4 accuracy (thermal and solar) and account for adjacency effects associated with atmospheric scattering. A new line-tail treatment and a correlated-k (CK) radiative transfer algorithm provide improved accuracy, especially under conditions of partial cloud cover and/or heavy aerosol loading.
Retinal Vascular Caliber as a Biomarker for Diabetes Microvascular Complications (2013)

10.2337/dc12-1554
Enzyme Control Over Ferric Iron Magnetostructural Properties (2021)

Fe<sup>3+</sup> complexes in aqueous solution can exist as discrete mononuclear species or multinuclear magnetically coupled species. Stimuli-driven change to Fe<sup>3+</sup> speciation represents a powerful mechanistic basis for magnetic resonance sensor technology, but ligand design strategies to exert precision control of aqueous Fe<sup>3+</sup> magnetostructural properties are entirely underexplored. In pursuit of this objective, we rationally designed a ligand to strongly favor a dinuclear μ-oxo-bridged and antiferromagnetically coupled complex, but which undergoes carboxylesterase mediated transformation to a mononuclear high-spin Fe<sup>3+</sup> chelate resulting in substantial T<sub>1</sub> -relaxivity increase. The data communicated demonstrate proof of concept for a novel and effective strategy to exert biochemical control over aqueous Fe<sup>3+</sup> magnetic, structural, and relaxometric properties.
Hotspot detection based on surrounding optical feature (2018)

In recent years, various methods for hotspot detection during optical proximity correction (OPC) verification have been studied. They try to predict hotspots by analyzing optical features of aerial image such as peak intensity. However, detection accuracy in these conventional methods is still not sufficient. We cannot distinguish hotspots from nonhotspots by only focusing on aerial image of hotspot because one often becomes hotspot and the other does not despite of the same aerial images. On the other hand, optical features of pattern next to the hotspot are different even in such a case. Therefore, optical features which are extracted from surrounding patterns of hotspot are one of the promising metrics for hotspot detection. In this paper, we propose a new method to detect hotspots more accurately. A new metric, Surrounding Optical Feature (SOF), is introduced. SOF indicates optical features which are extracted from surrounding pattern of the evaluated pattern. The optical feature includes critical dimension (CD), normalized image log-slope (NILS), integral intensity, peak intensity of optical image. The proposed method consists of two steps. In step 1, appropriate SOF is extracted by using training data. In step 2, OPC verification is carried out with the SOF. The effectiveness of the proposed method is confirmed in the experimental comparisons.
Comparison of the Accuracy and Clinical Parameters of Patient-Specific and Conventionally Bended Plates for Mandibular Reconstruction (2021)

For reconstructing mandibular defects, CR and PSI are eligible. In each case, the advantages and disadvantages of these approaches must be assessed. The functional and esthetic outcome of mandibular reconstruction significantly improves with the experience of the surgeon in conducting microvascular grafts and familiarity with computer-assisted surgery. Interoperator variability can be reduced, and training of younger surgeons involved in planning can be reaching better outcomes in the future.
Characteristics of Detected and Missed Prostate Cancer Foci on 3-T Multiparametric MRI Using an Endorectal Coil Correlated With Whole-Mount Thin-Section Histopathology (2015)

Compared with the prostate cancer lesions that were detected on multiparametric MRI, the prostate cancer lesions that were missed were significantly smaller, were more likely to be low-grade lesions (i.e., Gleason score of 6), were more commonly satellite lesions, and were more likely to be located in the prostatic apex.
P2‐438: Nutritional intervention with Fortasyn™ Connect: Beneficial effects in experimental models of Alzheimer's pathology and functional decline (2012)

The neurotoxic cascade of beta-amyloid (Abeta) may be initiated at neuronal cell membranes and soluble Abeta oligomers are thought to disturb membrane properties by binding to membrane components. As such, the precise composition of neuronal membranes may influence the membrane disrupting properties of Abeta and therefore its toxicity. Moreover, membrane composition has been shown to exert a direct impact on APP processing and the generation of Abeta. The hypothesis that nutritional interventions that positively affect membrane formation and composition will reduce Abeta production, Abeta toxicity and Abeta-induced pathology was tested in a series of experiments using rodent models of Alzheimer's disease (AD). Fortasyn Connect (FC) is a nutritional composition that contains both precursors and cofactors for neuronal membrane synthesis, viz. DHA, EPA, UMP, choline, folate, vit.B12, vit.B6, phospholipids, vit.C, vit.E, and selenium. We assessed the potential protective effects of dietary enrichment with FC in the intracerebroventricular Abeta infusion model, and the APP/PS1 transgenic mouse model of AD. In the Abeta infusion model, dietary enrichment with FC protected cholinergic neurons from Abeta-induced toxicity as evidenced by preserved immunoreactivity for the membrane bound enzymes ChAT and VAChT. FC also prevented the Abeta-induced reduction in exploratory activity. In young APP/PS1 transgenic mice, FC enriched diet decreased brain Abeta levels, amyloid plaque burden in the hippocampus, and neurodegeneration in the neocortex. In aged mice, FC normalized hippocampal levels of the neuronal marker N-acetylaspartate, which were reduced in the APP/PS1 mice. Additionally, FC was effective in alleviating poor spatial learning in aged APP/PS1 mice. In line with our hypothesis, FC intervention positively influenced the outcome of membrane-bound processes in different rodent models of AD. The effects of this nutritional intervention on AD-like pathology and behavioral changes in AD models warrant further evaluation in AD patients.
Isolation, Amino‐Acid Sequence, Synthesis and Biological Properties of Urotensin I from Hippoglossoides elassodon (1990)

Abstract A 41-residue urotensin I neuropeptide (H-UI) was isolated from urophyses of the marine teleost Hippoglossoides elassodon (the flathead sole). The peptide was recognized by its partial cross-reactivity in a radioimmunoassay developed for Catostomus (sucker) Ul (S-UI), and was purified by reversed-phase high-performance liquid chromatography. The amino-acid sequence was shown to be H-Ser-Glu-Glu-Pro-Pro-Met-Ser-lle-Asp-Leu-Thr-Phe-His-Met-Leu-Arg-Asn-Met-lle-His-Arg-Ala-Lys-Met-Glu-Gly-Glu-Arg-Glu-Gln-Ala-Leu-lle-Asn-Arg-Asn-Leu-Leu-Asp-Glu-Val-NH(2). H-UI is 66% homologous with S-UI and 63% homologous with Cyprinus (carp) Ul (C-UI). Like S- and C-UI, H-UI is about 50% homologous with the frog skin peptide sauvagine and with Catostomus and mammalian corticotropin-releasing factors. H-UI had similar vasodilatory effects in mammals, and similar adrenocorticotropin-releasing effects (in rat and goldfish) to S-UI, C-UI, sauvagine and the corticotropin-releasing factors, but had relatively low potency (e.g. 10% to 30% of the vasodilatory potency of S- and C-UI) in all the bioassay systems studied.
High-$\kappa$ Metal Gate MOSFETs: Impact of Extrinsic Process Condition on the Gate-Stack Quality—A Mobility Study (2007)

The effects of source/drain activation thermal budget and premetallization degas conditions on interfacial regrowth, carrier mobility, and defect densities are examined for SiO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> /HfO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> /TaN stacks. We observe a correlation between the mobility degradation and the interfacial re-growth possible with the thermal budget employed. The mobility degradation arises from an increase of defects, both within the interface layer (IL) and the high-kappa bulk, as detected by both pulsed current-voltage and charge-pumping measurements. Two junction activation processes have been applied: a conventional process (peak temperature of 1000 degC spike for t=1 s) and a Solid Phase Epitaxial Re-growth (SPER) (peak temperature of 650 degC for t=60 s). For 1000 degC spike-annealed films, where the highest SiO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> /IL defect density is observed, the consequent mobility degradation is explained by a transition region between HfO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> and the IL which increases for high-temperature processing
Facile Microwave-assisted Synthesis of Various C5-modified Pyrimidine Pyranonucleosides as Potential Cytotoxic Antitumor Agents (2017)

Background: Modified pyrimidines is a very important pharmacophore core of naturally occurring and synthetic bioactive compounds, interacting with the synthesis and function of nucleic acids, interfering with biosynthetic pathways and competing for the same binding sites of naturally occurring pyrimidines. Method: C5-arylalkynyl glucopyranonucleosides 3, 5 and -3´-C-trifluoromethyl-β-D-allopyranonucleosides of uracil 13, were synthesized using the one-step Sonogashira reaction under microwave irradiation and subsequent deprotection. Hydrogenation of acetylated 2a,e,i,j,k,n with NiCl2 and NaBH4, gave C5-phenylethenyl 6n and C5-arylethyl 8a,e,i,j,k uracil pyranonucleosides, which upon deacetylation, afforded the unprotected pyranonucleosides 7n and 9a,e,i,j,k, respectively. Results: The newly synthesized compounds were evaluated for their potential cytostatic activities in cell culture. Conclusion: The results of the cytostatic examinations indicated that compounds 2a,e,i,j and 12c,d are suitable candidates for further biological studies on lead drug and structural optimization. Keywords: C5-pyrimidine pyranonucleosides, cytotoxic activity, microwave irradiation, sonogashira reaction, synthesized compounds, synthetic.
Stereochemistry of Sagittamide A:  Prediction and Confirmation (2006)

[structure: see text] The C5-C10 relative stereochemistry of sagittamide A was predicted, with the use of the 3JH,H profiles assembled from the spin-coupling constants reported in the literature. The predicted relative stereochemistry was then confirmed by a total synthesis of two relevant remote diastereomers. The absolute configuration of sagittamide A was established through a detailed 1H NMR analysis of the two remote diastereomers, followed by doping experiments of them with the authentic natural product.
Thermomagnetic effects and Fermi surface topology - Results in metallic tin at low temperatures. (1968)

Fermi surface topology effects on Nernst- Ettingshausen coefficient from measurements in magnetic fields to 3.3 tesla and 1.2-4.2 K temperatures in metallic tin
Kinetics versus thermodynamics in the proline catalyzed aldol reaction (2016)

In this paper the equilibrium properties of the proline catalyzed aldol reaction was studied. The use of well-established methodologies, like reaction progress kinetic analysis and linear free energy relationship analysis, led to the quantification of the reaction reversibility and to its correlation with the substrate electronic activation. Due to these experimental observations, common computational approaches based on a one way transition state analysis become unsuitable. Therefore, a computational model based on the integration of a system of kinetic differential equations associated to the multiple equilibrium reactions was proposed. Such a model was found to successfully rationalize the chemical and stereochemical outcomes of this paradigmatic reaction for the first time.
Network error correction with unequal link capacities (2009)

We study network error correction with unequal link capacities. Previous results on network error correction assume unit link capacities. We consider network error correction codes that can correct arbitrary errors occurring on up to z links. We find the capacity of a network consisting of parallel links, and a generalized Singleton outer bound for any arbitrary network. We show by example that linear coding is insufficient for achieving capacity in general. In our example, the capacity is 50% greater than the linear coding capacity and we achieve using a nonlinear error detection strategy. We also present a method for finding an upper bound on the linear coding capacity for arbitrary network. We show that even for a single source and single sink network, it may be necessary for intermediate nodes to do coding, nonlinear error detection or error correction. This is unlike the equal link capacity case, where coding only at the source and forwarding at intermediate nodes suffices for a single source and sink network. We conjecture that the generalized Singleton outer bound is not achievable in general.