gebhart/patrepeval huggingface dataset:
Towards Computational Synthesis of Microstructural Crystalline Morphologies for Additive Manufacturing Applications (2017)

Powder-based additive manufacturing technologies introduce severe variations in microstructure in terms of grain size and aspect ratio that, coupled with porosity, can result in dramatic effects on the functional (mechanical, thermal, fatigue, fracture etc.) performance of as-produced parts. In the context of Integrated Computational Materials Engineering (ICME), it is essential develop a computationally efficient approach for generating synthetic microstructural morphologies that reflect these process-induced features. In the present paper, we employ two methodologies for computing the evolution of metal solidification at the microstructural level as a function of process parameters associated with additive manufacturing. The first method is the Continuum Diffuse Interface Model (CDM) applied to an arbitrary material system, and the second, the Multi-Phase Field Model (MPFM) applied to pure nickel (Ni). We present examples of microstructures generated by these methods within the context of additive manufacturing.
Local Dimensionality Reduction: A New Approach to Indexing High Dimensional Spaces (2000)

Many emerging application domains require database systems to support efficient access over highly multidimensional datasets. The current state-of-the-art technique to indexing high dimensional data is to first reduce the dimensionality of the data using Principal Component Analysis and then indexing the reduceddimensionality space using a multidimensional index structure. The above technique, referred to as global dimensionality reduction (GDR), works well when the data set is globally correlated, i.e. most of the variation in the data can be captured by a few dimensions. In practice, datasets are often not globally correlated. In such cases, reducing the data dimensionality using GDR causes significant loss of distance information resulting in a large number of false positives and hence a high query cost. Even when a global correlation does not exist, there may exist subsets of data that are locally correlated. In this paper, we propose a technique called Local Dimensionality Reduction (LDR) that tries to find local correlations in the data and performs dimensionality reduction on the locally correlated clusters of data individually. We develop an index structure that exploits the correlated clusters to efficiently support point, range and k-nearest neighbor queries over high dimensional datasets. Our experiments on synthetic as well as real-life datasets show that our technique (1) reduces the dimensionality of the data with significantly lower loss in distance information compared to GDR and (2) significantly outperforms the GDR, original space indexing and linear scan techniques in terms of the query cost for both synthetic and real-life datasets.
New Approaches to Ring Opening Polymerization-Evidences of Step Transfer Polymerization (1995)

Abstract The ring-opening polymerisation of lactones, by different initiator-catalyst systems, has been studied. Tin(II) bis(2-ethylhexanoate) has been used to catalyse the polymerization of lactide with various types of alcohol initiators. 1H NMR spectroscopy was used to monitor the polymerization process. Mechanistic studies suggest that the polymerisation course, to a large extent, depends on the reactivity of the initiators. In the case of primary or secondary alcohols, e.g. poly(ethylene glycol) and methyl lactate, it is found that when the initiator concentration exceeds that of the catalyst, the number of chains formed also exceed the number of catalyst molecules. The chains are propagated through a shift of the catalyst from one chain to another. GPC chromatography clearly shows oligomer formation in the first stage of the polymerization. In the case of tertiary alcohols, it appears that the number of chains formed is comparable to the number of catalyst molecules. By choosing an appropriate initiator the reaction course and molecular weight can be controlled. A general polymerization mechanism of the ring-opening polymerisation of this type is briefly discussed.
Fatalities of Second-Row Children in Front, Side and Rear Impacts by Calendar Year (CY) and Model Year (MY) (2022)

&lt;div class="section abstract"&gt;&lt;div class="htmlview paragraph"&gt;Field data was analyzed on second-row children in front, side and rear impacts to study fatality trends by model year (MY) and calendar year (CY) with 1980-2020 MY vehicles. The different MY and CY perspectives show changes in rates that are useful for setting priorities for second-row child safety in rear impacts.&lt;/div&gt;&lt;div class="htmlview paragraph"&gt;1990 to 2019 FARS was queried to assess the number of fatally injured and non-ejected second-row children (0-15 years old) in crashes without fires. The children included outboard occupants seated behind an occupied front seat and center occupants. The data was analyzed for rear, front and side impacts to assess crash frequency. 1990-2015 POLK was queried to assess exposure of registered vehicles and estimate a fatality rate. The FARS and POLK data were sub-grouped by MY of the vehicle and CY of the crash.&lt;/div&gt;&lt;div class="htmlview paragraph"&gt;There were 2.8-times more fatally injured children in frontal crashes than in the rear crashes. The ratio of frontal and rear crashes varied with CY sub-groups. It was 3.9-times higher in ‘90-‘96 CY vehicles and 2.2-times in’11-‘19 CY. The CY groupings obscured the change seen by MY. The data was re-assessed by excluding older vehicles with MY 10 years and greater (MY ≥ 10). The results indicated that almost half of fatally injured second-row children in rear-crashes occurring in the ’11-’19 CY sub-group were involved in older vehicles (MY ≥ 10). From 2010-19, 59% ± 7% of children fatally injured in rear impacts were in vehicles 10 year old or older. The data for rear crashes was further analyzed by age of the vehicle. The cumulative distribution indicated that 25% of the cases were in vehicles 5 years and younger from the time of the crash (MY ≤ 5), 50% with a MY ≤ 9, and 75% with a MY ≤ 12.&lt;/div&gt;&lt;div class="htmlview paragraph"&gt;Fatality rates were assessed as the ratio of fatalities per registered vehicles for the various sub-groups. The trends in rate for second-row child fatalities varied over time. The rate decreased with MY (model year) of the vehicle. There has been a reduction in the rate of child fatalities in the second row in rear impacts with newer MY vehicles that is not seen when the data is analyzed by CY. These results highlight the importance of analyzing data by the age of the vehicle.&lt;/div&gt;&lt;/div&gt;
Physically Plausible Spectral Reconstruction from RGB Images (2020)

Recently Convolutional Neural Networks (CNN) have been used to reconstruct hyperspectral information from RGB images. Moreover, this spectral reconstruction problem (SR) can often be solved with good (low) error. However, these methods are not physically plausible: that is when the recovered spectra are reintegrated with the underlying camera sensitivities, the resulting predicted RGB is not the same as the actual RGB, and sometimes this discrepancy can be large. The problem is further compounded by exposure change. Indeed, most learning-based SR models train for a fixed exposure setting and we show that this can result in poor performance when exposure varies. In this paper we show how CNN learning can be extended so that physical plausibility is enforced and the problem resulting from changing exposures is mitigated. Our SR solution improves the state-of-the-art spectral recovery performance under varying exposure conditions while simultaneously ensuring physical plausibility (the recovered spectra reintegrate to the input RGBs exactly).
ChemInform Abstract: Platinum‐Catalyzed Cycloisomerization Reactions of Enynes. (2002)

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.
Grape‐Enriched Diets Impact Heart Failure Pathogenesis in the Dahl‐SS rat (2006)

The DASH(Dietary Approaches to Stop Hypertension) trials showed that fruit and vegetable intake impacts blood pressure. However, a mechanistic appraisal of the DASH diet benefits using a whole foods model has not been conducted. In addition, the effect of later consequences of hypertension, including renal damage and heart failure, has not been assessed. This project studied the impact of a fruit enriched diet on the development of hypertension, renal and cardiac hypertrophy, tissue oxidative stress, and echocardiography assessed heart function in the Dahl Salt Sensitive(DSS) rat model of heart failure. The whole food model selected was a standardized, freeze dried table grape powder. Male DSS rats were pair fed 20g of AIN76A/day. Treatment groups included a low salt group (LS, 0.2% NaCl), a high salt group (HS, 6.0% NaCl) and high salt + grape (HSG, 6.0% NaCl + rat body weight adjusted equivalent of 9 servings/day, or 3% of diet). The rats were fed for 16 weeks, with serial tail cuff blood pressure measures, terminal organ weight measures, and tissue malonyldialdehyde as an index of oxidative damage. Compared to HS diet alone, HSG diet significantly lowered blood pressure (p&lt;0.05 vs. HS), normalized cardiac weight, reduced renal weight (p&lt;0.05 vs. HS), and reduced cardiac and renal MDA formation. (p&lt;0.05 vs. HS). As assessed by echocardiography, HSG diets reduced left ventricular hypertrophy and relative wall thickness while improving mitral flow felocity, diastolic function, and cardiac index(p&lt;0.05 on all ECHO values). This represents the first report of a physiologically relevant, whole food model which reduces heart failure pathogenesis. This model may be used to mechanistically assess the value of diets rich in phytochemicals, such as the DASH diet, for heart failure management.
Plasma C-Terminal Pro-Endothelin-1 Is Associated With Target-Organ Damage in African Americans With Hypertension (2010)

Plasma levels of CT-proET-1 were independently associated with lower ABI and greater UACR in African American but not non-Hispanic white adults with hypertension.
Synthesis and biological activity of carboxyl terminally extended dermorphins (1986)

Dermorphinoyl(DMR)-glycine, DMR-sarcosine and DMR-glycyl-arginine have been prepared in order to examine the effect of C-terminal extension of dermorphin (H-Tyr-D-Ala-Phe-Gly-Tyr-Pro-Ser-NH2) on opioid activity. On GPI preparation the addition of Gly, Sar, or Gly-Arg to the carboxyl terminus of dermorphinoic acid was detrimental to mu activity: dermorphinoyl-derivatives, in fact, retain only 5-20% of dermorphin potency. Following intracerebroventricular administration (tail-flick test), whereas the analgesic activities of compounds showed the trend dermorphin greater than DMR-Sar greater than DMR-Gly-Arg greater than DMR-Gly greater than morphine, the nonapeptide displayed highest activity after subcutaneous injection in mice: DMR-Gly-Arg was 2.5 and 10 times more potent than dermorphin and morphine, respectively.
Thermal decomposition of tetraethylorthosilicate (TEOS) produces silicon coated carbon spheres (2004)

We report a simple, one step and efficient method to deposit Si nanoparticles on the surface of in situ formed carbon spheres. This report emphasizes Si deposition on carbon spheres from the thermal decomposition of TEOS at 700 °C in a closed Swagelok cell in an inert atmosphere.
Nanorod Assemblies in Polymer Films and Their Dispersion-Dependent Optical Properties (2011)

Optical absorption due to surface plasmon resonances in ensembles of gold nanorods (Au NRs) depends strongly on the nanorod separation and orientation. Here, we study the dispersion of polystyrene-functionalized Au NRs in polystyrene (PS) thin films using UV-visible (UV-vis) spectroscopy and transmission electron microscopy (TEM) and find that Au NRs are dispersed for brush chain lengths that exceed the PS matrix chain length and are aggregated otherwise. Monte Carlo simulations using parameters from classical density functional theory (DFT) calculations indicate that this behavior is due to substantial depletion-attraction forces for brush chain lengths that are much smaller than the PS matrix chain length. Both UV-vis measurements and discrete dipole approximation (DDA) calculations confirm that optical absorption is a facile method to determine nanorod morphology in nanocomposite films (i.e., aggregation or dispersion). Futhermore, a dispersion map is constructed showing the conditions required for nanorod dispersion and, correspondingly, the optical absorption properties of Au NR:PS nanocomposites. Using this information, optically active materials with tunable morphologies can be fabricated and routinely characterized using optical spectroscopic methods.
Using similarity distance for performance prediction of the query optimization process (2013)

Query optimization is a sophisticated process whose resource consumption and quality of the best execution plan depends on the query complexity, available resources of the RDBMS server, and the current instance of the database. For a self-managing RDBMS such as SAP SQL Anywhere, the query optimizer must adapt each optimization process to the current resources as these servers are run in highly diverse environments with no DBA for tuning, running mixed workloads with little correlation between query complexity, its execution time, or database size. The main goal of the work presented in this paper is to be able to dynamically choose a join enumeration algorithm among the algorithms available to the query optimizer based on the known characteristics of the algorithms, the query complexity and its expensiveness, and the available resources for the optimization process. First, the paper discusses the experimental results of the optimization time breakdown and the memory consumption for a set of join enumeration algorithms ranging from highly heuristics algorithms to dynamic programming algorithms with exhaustive bushy trees enumeration. Next, we present a novel technique to predict the optimization time and memory consumption for a current query by using similarity distances between its query graph and a set of etalon queries with known performance. The new technique can be used by any query optimizer for choosing among join enumeration algorithms, or optimization levels, based on such characteristics as query complexity and available resources.
Synergistic Effect of CH-296 and Interferon Gamma on Cytokine-Induced Killer Cells Expansion for Patients with Advanced-Stage Malignant Solid Tumors (2011)

CH-296 and IFN-γ synergistically promote antitumor efficiency of CIKs by increasing proliferation, inhibiting apoptosis, and enhancing cytotoxicity.
Issues in Color Matching (2012)

To create a numerical description of color (e.g., X,Y,Z), one applies a Color Matching Function to spectral power distribution data acquired with an instrument such as a spectroradiometer. All the adjustments one makes to a video display or to video data depend on the accuracy of these numbers. The broadcast industry and others for whom color fidelity is crucial have long depended on the 1931 CIE Color Matching Function (CMF). Recent and continuing advances in display technology, however, have exposed serious deficiencies in this CMF. These deficiencies have long been known to academic researchers, who have in the intervening years proposed several alternative CMFs. This paper reviews the critical flaws that render the 1931 CMF no longer reliable, and surveys the strengths and weaknesses of candidates for its replacement
Potent Analogues of Abscisic Acid – Identifying Cyano‐Cyclopropyl Moieties as Promising Replacements for the Cyclohexenone Headgroup (2018)

Synthetic analogues of plant hormone abscisic acid (ABA) bearing a yet unexplored head group motif were prepared based on a combination of agrochemical experience, in vivo hits and structure‐based design. It could thus be explored how modifying key parts of ABA's cyclohexenone unit influenced receptor affinity and in vivo efficacy against drought stress in selected crops. Cyano‐cyclopropyl groups proved to be suitable replacements of the cyclohexanone moiety leading to ABA analogues with strong activity in vitro and in vivo. Their efficient and versatile synthesis proceeded via Stille or Sonogashira couplings as the key steps. Combining novel cyano‐cyclopropyl headgroups with previously identified substituents in the terpenoid side chain afforded the most promising effects against drought stress in crops, particularly canola and wheat.
New polymer platform of BARC for ArF lithography (2005)

We found a new polymer platform for ArF BARC that can be prepared by addition polymerization. This system not only improves resist pattern collapse, but also allows control of the optimum film thickness, and etch rate by combination of compounds, method of polymerization (molecular weight control), and additives. Moreover, these materials have the unique characteristic that the resist profiles change little even if the type of resist changes.
WP744, a novel anthracycline with enhanced proapoptotic and antileukemic activity. (2002)

The novel anthracycline WP744 was found to be an antileukemic agent with proapoptotic activity superior to that of doxorubicin.
ChemInform Abstract: Novel 10β‐Thiiranyl Steroids as Aromatase Inhibitors. (1987)

Abstract Reaction of the epimeric 10β‐oxiranyl‐4‐estrene‐3,17‐diones (I) and (III) with triphenylphosphine sulfide and picric acid produces the 10β‐thiiranyl derivatives (II) and (IV) which are competitive inhibitors of placental microsomal aromatase.
Abstract 4041: Identification of GNG7 as an epigenetically silenced gene in head and neck cancer by gene expression profiling (2012)

Abstract Silencing of tumor suppressor genes plays a vital role in head and neck carcinogenesis. Aberrant hypermethylation in the promoter region of some known or putative tumor suppressor genes occurs frequently during the development of various cancers including head and neck squamous cell carcinoma (HNSCC). In this study we used an expanded mRNA expression profiling approach followed by microarray expression analysis to identify epigenetically inactivated genes in HNSCC. Two HNSCC cell lines were treated with 5-aza-2′-deoxycytidine followed by microarray analysis to identify epigenetically silenced genes in HNSCC. 1960, 614, and 427 genes were upregulated in HNSCC cell lines JHU-012, JHU-011 and the combination of both cell lines, respectively. HNSCC tumor and normal mucosal samples were used for gene profiling by a 47K mRNA gene expression array and we found, 7140 genes were downregulated in HNSCC tumors compared to normal mucosa as determined by microarray analysis and were integrated with cell line data. Integrative analysis defined 126 candidate genes, of which only seven genes showed differentially methylation in tumors and no methylation in normal mucosa after bisulfite sequencing. After validation by QMSP, one gene, GNG7, was confirmed as being highly methylated in tumors and unmethylated in normal mucosal and salivary rinse samples demonstrating cancer-specific methylation in HNSCC tissues. TXNIP and TUSC2 were partially methylated in tumors and normal salivary rinses but unmethylated in normal mucosa. We concluded GNG7 as a highly specific promoter methylated gene associated with HNSCC. In addition, TXNIP and TUSC2 are also potential biomarkers for HNSCC. Citation Format: {Authors}. {Abstract title} [abstract]. In: Proceedings of the 103rd Annual Meeting of the American Association for Cancer Research; 2012 Mar 31-Apr 4; Chicago, IL. Philadelphia (PA): AACR; Cancer Res 2012;72(8 Suppl):Abstract nr 4041. doi:1538-7445.AM2012-4041
Effect of Testing Temperature on Sulfide Stress Cracking of Low Alloy Steel (2018)

In this study, effects of environmental temperature on susceptibility to sulfide stress cracking (SSC)—a type of hydrogen embrittlement (HE) occurring in sour environments—of low alloy steels were investigated from the perspective of hydrogen entry, absorption, and accumulation. SSC susceptibility was evaluated using a double cantilever beam (DCB) test and a four-point bend (4PB) test in sour environments at several testing temperatures. 4PB test specimens included notched and un-notched specimens to investigate influences of stress concentration and local stress. In the case of evaluation methods using specimens with high-stress concentration area, a decrease in testing temperature from room temperature to 4°C significantly increased SSC susceptibility. Hydrogen entry and absorption behaviors were also evaluated at several testing temperatures using a hydrogen permeation test. The hydrogen concentration at the plastic deformed area increased remarkably with decreasing testing temperature. It is considered that the influence of testing temperature is due to hydrogen concentration at the stress concentration area with plastic deformation. In a low temperature condition, the degree of hydrogen accumulation at the crack tip areas of a DCB specimen or crack initiation site of a 4PB specimen could be higher than that in a higher temperature condition. When steels are applied to low temperature conditions with H2S, a prior material evaluation reproducing both environmental temperature and actual stress condition is needed.
Long-term Remission with Certolizumab Pegol in Crohnʼs Disease: Efficacy Over 4.5 Years in Patients with No Prior TNF Inhibitor Exposure (PRECiSE 3 Study) (2010)

Purpose: The purpose of this study was to evaluate remission rates in patients (pts) who received certolizumab pegol (CZP) for 6 months (26 weeks) in PRECiSE 2 (P2) and a further 4.5 years in PRECiSE 3 (P3) and to determine if remission rates are affected in pts without previous TNF inhibitor exposure. Methods: Pts completing P2 (NCT00152425) were eligible to enter P3 (NCT00160524) and receive CZP 400 mg every 4 weeks. Efficacy and safety data for pts who received CZP in P2 and continued with open-label CZP treatment in P3 (P3-CZP population) are presented. The Harvey-Bradshaw index (HBI) was used to measure disease activity (remission=score of ≤4). Remission rates were analyzed from the baseline of P2 in the P3-CZP population and in a subset of this population who had never received infliximab (IFX-naïve). Remission rates were calculated using non-responder imputation (NRI), observed case (OC), and last observation carried forward (LOCF) analyses. Results: Of the 141 pts in the P3-CZP population, 114 were IFX-naïve. At the start of P3 (Week [Wk] 0), 75% (105/141) and 78% (89/114) of the P3-CZP and IFX-naïve populations were in remission, respectively. Remission rates for the P3-CZP population after 1 (Wk 26 of P3), 2 (Wk 78 of P3), 3 (Wk 130 of P3), 4 (Wk 182 of P3), 4.5 (Wk 206 of P3), and 5 (Wk 226 of P3) years (LOCF) were 69%, 69%, 64%, 64%, 63%, and 62%, respectively, and 69%, 68%, 65%, 65%, 63%, and 62% for the IFX-naïve pts (Table).Table: [1152] HBI remission ratesConclusion: Continuous CZP 400 mg therapy provided long-term remission for more than 4.5 years in pts who initially responded to CZP induction therapy. Sustained long-term remission rate was observed in both all P3 pts receiving CZP and in P3 pts receiving CZP with no previous exposure to infliximab. Disclosure: Dr Lichtenstein - Consultancy and Financial Support for Research from UCB Dr Thomsen - no disclosures for UCB Dr Schreiber - Financial Support for Research from UCB Dr Lawrance - Consultancy for UCB Dr Hanauer - Consultancy and Financial Support for Research from UCB Ralph Bloomfield - Employee of UCB Dr Sandborn - Financial Support for Research from UCB. Consulting Fees paid to Mayo Clinic from UCB. This research was supported by an industry grant from UCB Pharma.