gebhart/patrepeval huggingface dataset:
Effet des Substitutants Aromatiques en RMN du Carbone‐13: Extension du Modèle de Smith et Proulx aux Composés Hétérocycliques et Analyse Statistique des Résultats (1987)

Abstract Three new Q* parameters have been calculated for dimethylamino, amino and tert‐butyl substituents, thus completing a set of fifteen substituents for which F, R and Q* are well characterized. The substituent carbon‐13 chemical shifts of several aromatic heterocycles have been analyzed using the model Δδ=aF+bR+cQ*+d. The set of fifteen substituents (three variables, natural or coded) has been submitted to two statistical treatments. In the first one, with the Fedorov type exchange algorithms it has been possible to select the most significant substituents. In the second one, the possibility to reduce the number of variables has been considered and rejected.
Modern magnetic mirrors and their fusion prospects (2010)

This paper reviews the most important findings from recent experiments on modern magnetic mirrors, apart from tandem mirrors and rotating plasma devices. These modern magnetic mirrors are represented by a multiple mirror device GOL-3 and a gas dynamic trap, experiments on which are carried out in Novosibirsk. Both devices are characterized by axial symmetry and improved axial confinement of plasma compared with conventional mirror machines. Recent findings from experiments enable us to more practically consider applications of the gas dynamic trap as a high-flux 14 MeV neutron source for fusion materials testing, and possibly as a driver for fusion–fission hybrids. They also indicate that effective axial plasma confinement in a multiple mirror can be obtained with a smaller plasma density compared with theory and β < 1. This is beneficial from the point of view of the technical realization of a multiple mirror reactor.
Triazabicyclodecene:  A Simple Bifunctional Organocatalyst for Acyl Transfer and Ring-Opening Polymerization of Cyclic Esters (2006)

1,5,7-Triazabicyclo[4.4.0]dec-5-ene (TBD) is an effective organocatalyst for acyl transfer as well as the ring-opening polymerization of cyclic esters. Its high activity is attributed to its ability to simultaneously activate both esters and alcohols, as demonstrated in a model reaction. This unique mechanism makes TBD a remarkably simple example of a bifunctional catalyst. The simplicity of the reaction conditions, the ready commercial availability of the catalyst, and its high activity provide an accessible methodology to allow future studies of tailor-made polyesters.
Optical Characterization of High Speed Scanning Micromirrors with Vertical Combdrives (2002)

We measured the resonant frequency and optical scan angle of 200 µm by 200 µm scanning micromirrors actuated by vertical combdrives. The prototype devices were fabricated by our 3-level micro-electro-mechanical-systems (MEMS) process, which is based on two bond-and-etch fabrication steps. The optical scan angle of the device with the highest spring constant was 1.4 degrees at its 43.34 kHz resonance frequency when actuated by a voltage of 78 VAC.
Various structures of 1200V SiC MPS diode models and their simulated surge current behavior in comparison to measurement (2016)

In this work, the surge current behavior of 1200V SiC MPS diodes is analyzed using electro-thermal simulations. The results are compared to measurements for calibration. The isothermal surge current simulations are performed with a simplified model of the real diode structure with various sizes of pin-regions and various total model widths. The simulation result shows that smaller pin-regions trigger minority carrier injection at higher voltage drop and current density than the larger pinregions. The negative differential resistance (NDR) regime, seen in the measurement, is modeled successfully. Both, simulations and measurements show a similar behavior during a surge current event. Furthermore, the influence of the model geometry during the surge current event is investigated.
Individual plasmonic helix for probing light chirality (2019)

We investigate the plasmonic nanohelix as an individual subwavelength element for locally probing light chirality. We show that an hybrid nanoantenna combining a carbon-gold core-shell helix and a plasmonic nanoaperture transmits circularly polarized light with the same handedness as the helix and blocks the other. Such an assymmetric response is spatially localized, spectrally broadband and background-free. Finally, we demonstrate the possibility to engineer an individual plasmonic helix at the apex of a sharp tip typically used in scanning near-field microscopies, thus opening the prospect of moveable local probes for high resolution sensing and mapping of light chirality and chiroptical forces
Reversed self-steepening in nonlinear pulse propagation along a silicon nano-crystal slot waveguide with engineered dispersion of nonlinearity (2013)

We show that the dispersion of nonlinearity can be engineered in silicon slot waveguides over a wide wavelength range. A hardly observable nonlinear effect - reversed self-steepening now becomes possible on a chip.
Evaluating the effect of replacing CNK with linux on the compute-nodes of blue gene/l (2008)

The Blue Gene machines in production today run a small single-user, single-process kernel (CNK) having a limited functionality. Motivated by the desire to provide applications with a much richer operating environment, we evaluate the effect of replacing CNK with a standard Linux kernel on the compute nodes of Blue Gene/L. We show that with a relatively small amount of effort we were able to improve benchmark performance under Linux up to a level that is comparable to CNK.
A novel group transfer polymerization of 1‐trimethylsiloxy‐benzocyclobutene via hetero Diels‐Alder reaction (1996)

Abstract A novel group transfer polymerization via hetero‐Diels‐Alder reaction is described. When 1‐trimethylsiloxybenzocyclobutene ( 1 ) was treated with a catalytic amount of p ‐anisaldehyde (4‐methoxybenzaldehyde) and TASF (tris(dimethylamino)sulfonium difluorotrimethylsilanide) at room temperature for 0.5 h, poly[1,2‐phenylene‐1‐(trimethylsiloxy)ethylene] was obtained quantitatively. The number‐average molecular weight of the polymer was M̄ n = 2000 and the molecular weight distribution was narrow (ratio of weight‐to number‐average molecular weights M̄ w /M̄ n = 1.18). Structural characteristics suggested a polymerization mechanism involving isomerization of 1 to o ‐quinodimethane and successive hetero‐Diels‐Alder reaction leading to poly[1,2‐phenylene‐1‐trimethylsiloxy ethylene]. The living‐like nature of the polymerization was supported by a monomer addition experiment in which the molecular weight increased according to the increase of the added monomer.
Label Distribution Using ARP (2000)

This document describes extensions to the Address Resolution Protocol
to distribute MPLS labels for IPv4 and IPv6 host addresses.
Distribution of labels via ARP enables simple plug-and-play operation
of MPLS.
Retrosynthetic Reaction Prediction Using Neural Sequence-to-Sequence Models (2017)

We describe a fully data driven model that learns to perform a retrosynthetic reaction prediction task, which is treated as a sequence-to-sequence mapping problem. The end-to-end trained model has an encoder-decoder architecture that consists of two recurrent neural networks, which has previously shown great success in solving other sequence-to-sequence prediction tasks such as machine translation. The model is trained on 50,000 experimental reaction examples from the United States patent literature, which span 10 broad reaction types that are commonly used by medicinal chemists. We find that our model performs comparably with a rule-based expert system baseline model, and also overcomes certain limitations associated with rule-based expert systems and with any machine learning approach that contains a rule-based expert system component. Our model provides an important first step toward solving the challenging problem of computational retrosynthetic analysis.
Insulin Resistance and Inhibitors of Insulin Receptor Tyrosine Kinase (1999)

Noninsulin dependent diabetes mellitus (NIDDM or Type 2 diabetes mellitus) occurs in approximately 5% of the US population (1). The vast majority of these patients display resistance to the biological actions of insulin (2). Insulin resistance both precedes and contributes to the development of the diabetic state (3,4). In addition to Type 2 diabetes patients, insulin resistance occurs in most patients with impaired glucose tolerance and some individuals with normal glucose tolerance (1,4,5). In these people, normoglycemia is maintained by a compensatory hypersecretion of insulin. Progression to frank diabetes generally occurs when insulin secretion by the pancreatic β-cells is no longer sufficient to overcome the peripheral resistance to the hormone (1). There are both genetic and acquired factors which can produce insulin resistance, and thus predispose an individual to Type 2 diabetes (6). Obesity is the most common cause of acquired insulin resistance in Western Society. One-third to one-half of Americans are defined as overweight, and up to 80% of Type 2 diabetes patients are obese. Numerous studies have shown that insulin stimulated glucose disposal declines as a function of increasing obesity (Fig. 1) (7).
DyTIS: A Dynamic Dataset Targeted Index Structure Simultaneously Efficient for Search, Insert, and Scan (2023)

Many datasets in real life are complex and dynamic, that is, their key densities are varied over the whole key space and their key distributions change over time. It is challenging for an index structure to efficiently support all key operations for data management, in particular, search, insert, and scan, for such dynamic datasets. In this paper, we present DyTIS (Dynamic dataset Targeted Index Structure), an index that targets dynamic datasets. DyTIS, though based on the structure of Extendible hashing, leverages the CDF of the key distribution of a dataset, and learns and adjusts its structure as the dataset grows. The key novelty behind DyTIS is to group keys by the natural key order and maintain keys in sorted order in each bucket to support scan operations within a hash index. We also define what we refer to as a dynamic dataset and propose a means to quantify its dynamic characteristics. Our experimental results show that DyTIS provides higher performance than the state-of-the-art learned index for the dynamic datasets considered.
CADD-30. A TREATMENT SIMULATOR FOR BRAIN CHEMOTHERAPY (2018)

Dosing of systemically administered chemotherapies for brain tumors is generally designed without the benefit of quantitative estimates of spatial drug distribution in the brain, even though the integrity of the BBB varies spatially, and over time. We have designed a “Drug Entry Simulator” which displays a patient’s contrast enhanced MRI, a display of serum concentrations of drug over time, and an overlay of drug concentrations over time superimposed on the MRI. In addition, the area under the concentration time curve can be assessed for any region of interest. The mathematical modeling utilizes pharmacokinetic models with patient specific information on brain anatomy, BBB permeability incorporated via DCE studies and scaling hypotheses for different therapeutic agents. We have made and reported[1] preliminary assessments using results from clinical trials employing microdialysis or biopsies to determine the concentrations of agents within brain tumors. Simulations on data obtained from the individual patients shows 1) significant variability in spatial distribution, 2) poor penetration of the margins and 3) poor residence time of the agent in tissue. Studies of efflux of both small and large molecule agents infused directly into the brain have shown excellent agreement with direct measurements of their concentrations. Pretreatment estimates of drug entry, maximal concentration, time over effective concentration, and area under the concentration curve can help in planning systemic administration of therapeutic agents in patients with brain tumors. Future studies will address calibration issues with DCE, improvement of MR image acquisition, improved incorporation of characteristics of the drugs used, and continuing validation of the modeling approach. [1] Modeling the Entry of Systemically Administered Antineoplastic Agents into Brain Tumors, Brain Adjacent to Tumor, and Normal Brain. Stuart A. Grossman, Arati Desai, Marshall Pitz, Jaishri Blakeley, Jana Portnow, Martin Brady, Raghu Raghavan. Journal of Clinical Oncology, SNO Proceedings, 2008.
A Burkholderia pseudomallei Outer Membrane Vesicle Vaccine Provides Cross Protection against Inhalational Glanders in Mice and Non-Human Primates (2017)

<i>Burkholderia mallei</i> is a Gram-negative, non-motile, facultative intracellular bacillus and the causative agent of glanders, a highly contagious zoonotic disease. <i>B. mallei</i> is naturally resistant to multiple antibiotics and there is concern for its potential use as a bioweapon, making the development of a vaccine against <i>B. mallei</i> of critical importance. We have previously demonstrated that immunization with multivalent outer membrane vesicles (OMV) derived from <i>B. pseudomallei</i> provide significant protection against pneumonic melioidosis. Given that many virulence determinants are highly conserved between the two species, we sought to determine if the <i>B. pseudomallei</i> OMV vaccine could cross-protect against <i>B. mallei</i>. We immunized C57Bl/6 mice and rhesus macaques with <i>B. pseudomallei</i> OMVs and subsequently challenged animals with aerosolized <i>B. mallei</i>. Immunization with <i>B. pseudomallei</i> OMVs significantly protected mice against <i>B. mallei</i> and the protection observed was comparable to that achieved with a live attenuated vaccine. OMV immunization induced the production of <i>B.mallei-</i>specific serum IgG and a mixed Th1/Th17 CD4 and CD8 T cell response in mice. Additionally, immunization of rhesus macaques with <i>B. pseudomallei</i> OMVs provided protection against glanders and induced <i>B.mallei</i>-specific serum IgG in non-human primates. These results demonstrate the ability of the multivalent OMV vaccine platform to elicit cross-protection against closely-related intracellular pathogens and to induce robust humoral and cellular immune responses against shared protective antigens.
αυVitronectin Receptors in Vascular‐Mediated Disorders (2003)

Abstract For Abstract see ChemInform Abstract in Full Text.
ChemInform Abstract: Asymmetric Pictet—Spengler Reactions: Synthesis of 1,2,3,4‐Tetrahydroisoquinoline Carboxylic Acid (Tic) Chimeras (2001)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Diabetes mellitus alters the mechanical properties of the native tendon in an experimental rat model (2011)

The purpose of this study was to determine the effect of the diabetic phenotype on the mechanical properties of the native patellar tendon and its enthesis. Diabetes was induced via intraperitoneal injection of streptozotocin in Lewis rats. Control (n = 18) and diabetic animals (n = 20) were killed at 12 and 19 days for analysis. Statistical comparisons were performed using Student's t-tests and a two-tailed Fisher test with significance set at p < 0.05. Pre- and post-injection intraperitoneal glucose tolerance tests demonstrated significant impairment of glycemic control in the diabetic compared to control animals (p = 0.001). Mean serum hemoglobin A1c levels at 19 days was 10.6 ± 2.7% and 6.0 ± 1.0% for the diabetic and control groups, respectively (p = 0.0001). Fifteen of sixteen diabetic animals demonstrated intrasubstance failure of the patellar tendon, while only 7 of 14 control specimens failed within the tendon substance. The Young's modulus of the diabetic tendon was significantly lower than control specimens by 19 days post-induction (161 ± 10 N m(-2) compared to 200 ± 46 N m(-2) , respectively) (p = 0.02). The metabolic condition of poorly controlled diabetes negatively affects the mechanical properties of the native patellar tendon. These altered structural properties may predispose diabetic patients to a greater risk of tendinopathy and/or traumatic rupture.
Limited Impact of Human Cytomegalovirus Infection in African Infants on Vaccine-Specific Responses Following Diphtheria-Tetanus-Pertussis and Measles Vaccination (2020)

Human cytomegalovirus (HCMV) infection has a profound effect on the human immune system, causing massive clonal expansion of CD8, and to a lesser extend CD4 T cells. The few human trials that have explored the effect of HCMV infection on responses to vaccination are conflicting, with some studies suggesting no effect whilst others suggest decreased or increased immune responses. Recent studies indicate substantial differences in overall immune system reactivity to vaccines based on age and sex, particularly cellular immunity. 225 nine-month old Gambian infants were immunized with diphtheria-tetanus-whole cell pertussis and/or measles vaccines. HCMV infection status was determined by the presence of CMV DNA by PCR of urine samples prior to vaccination. The effect of HCMV infection on either protective antibody immunity or vaccine-specific and overall cellular immune responses 4 weeks post-vaccination was determined, further stratified by sex. Tetanus toxoid-specific antibody responses were significantly lower in HCMV+ infants compared to their HCMV- counterparts, while pertussis, diphtheria and measles antibody responses were generally comparable between the groups. Responses to general T cell stimulation with anti-CD3/anti-CD28 as well as antigen-specific cytokine responses to purified protein derivative (PPD) were broadly suppressed in infants infected with HCMV but, perhaps surprisingly, there was only a minimal impact on antigen-specific cellular responses to vaccine antigens. There was evidence for subtle sex differences in the effects of HCMV infection, in keeping with the emerging evidence suggesting sex differences in homeostatic immunity and in responses to vaccines. This study reassuringly suggests that the high rates of HCMV infection in low income settings have little clinically significant impact on antibody and cellular responses to early life vaccines, while confirming the importance of sex stratification in such studies.
Non intrusive codec identification algorithm (2012)

We present a non-intrusive data driven method for codec detection and identification in the presence of background noise. The method uses a number of speech features which are then used to train a CART classifier. We demonstrate the performance of the method using several different noise types over a wide range of SNRs. Our results show that we can identify a codec and its bit rate to an accuracy of 92% and we are able to detect the presence of a codec with an accuracy of 97% at -5 dB SNR.
Altered identity: fleeting colors and obscured surfaces in Van Gogh’s Landscapes in Paris, Arles, and Saint-Rémy (2021)

Abstract The Thannhauser Collection of the Solomon R. Guggenheim Museum, New York, represents an important survey of European avant-garde art production during the late 19th and early 20th centuries. Among the works included in this collection are three paintings by Vincent van Gogh, namely Roadway with Underpass (1887), Landscape with Snow (1888), and Mountains at Saint-Rémy (1889). These examples each exhibit some degree of surface alteration, including fading of specific pigments and, in one case, a non-original, discolored varnish, resulting in obscured color and spatial relationships, as well as being the subject of questions regarding authenticity in the case of the two earlier pictures. Initial examination involved documentation of the brushwork, paint quality, and distribution of colors under magnification. Infrared (IR) and ultraviolet (UV) photography, as well as X-radiography, provided additional information on the surface coatings, the structure of the works, and their supports. Subsequently, an in-depth scientific investigation of the ground and paint layers, with a special focus on fading colors and altered surfaces, was carried out non-invasively with point and macro-X-ray fluorescence (XRF) spectroscopy, visible reflection spectroscopy, and multi-channel visible spectrum four-light imaging, followed by the analysis of cross sections and dispersed pigment samples by means of optical microscopy, transmission Fourier-transform infrared (FTIR) and Raman spectroscopies, and scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM/EDS), as well as high-performance liquid chromatography with photodiode array detection (HPLC-PDA) and pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS). Results indicated that both the brushwork and artist's palette of all three paintings are consistent with data previously reported for other Van Gogh works and with pigments described in the artist’s letters to his friends and his brother Theo. Most notably, evidence of biodeterioration and paint alteration phenomena was found on Roadway with Underpass , while specific pigments such as eosin red—historically sold as geranium lake—were detected in areas of Landscape with Snow and Mountains at Saint-Rémy that display severe fading. In addition to assisting the development of a suitable plan for the conservation of the 1887 painting, this study traces the progression of Van Gogh’s practice over three years critical to his artistic development, discusses the historical context in which each masterpiece was created, identifies the range of materials and techniques used, and addresses authenticity questions by providing a comparison with results of scientific analysis from other similar works.
Insights into electron and hole extraction layers for upright and inverted vacuum-deposited small molecule organic solar cells (2013)

Vacuum-deposited small molecule organic solar cells (OSCs) with various electron extraction layers (EELs) and hole extraction layers (HELs) are studied. Upright OSCs are examined for their efficiencies, and for their photo- and thermal-stabilities. It is shown that the EEL conducts only because of the subsequent top electrode metal deposition, and that exciton blocking characteristics of the EEL alone are not sufficient to grant good solar cell characteristics. To this end, wide bandgap organic HELs cannot be placed between the bottom electrode and active organic layers to achieve the same effect as wide bandgap organic EELs at the opposite end of the device. Inverted vacuumdeposited OSCs, which place the HEL adjacent to the top metal anode, can make use of a wide bandgap organic HEL in combination with a thin MoO<sub>3</sub> layer to achieve good device performance. Thick MoO<sub>3</sub> HELs alone are also shown to be suitable for inverted vacuum-deposited OSCs, thus simplifying device fabrication. For these inverted devices, the thickness of the HEL required to achieve good device performance is found to be substantially higher than the equivalent EEL thickness in a standard upright device.