gebhart/patrepeval huggingface dataset:
Organoiridium Complexes: Anticancer Agents and Catalysts (2014)

Iridium is a relatively rare precious heavy metal, only slightly less dense than osmium. Researchers have long recognized the catalytic properties of square-planar Ir(I) complexes, such as Crabtree's hydrogenation catalyst, an organometallic complex with cyclooctadiene, phosphane, and pyridine ligands. More recently, chemists have developed half-sandwich pseudo-octahedral pentamethylcyclopentadienyl Ir(III) complexes containing diamine ligands that efficiently catalyze transfer hydrogenation reactions of ketones and aldehydes in water using H2 or formate as the hydrogen source. Although sometimes assumed to be chemically inert, the reactivity of low-spin 5d(6) Ir(III) centers is highly dependent on the set of ligands. Cp* complexes with strong σ-donor C^C-chelating ligands can even stabilize Ir(IV) and catalyze the oxidation of water. In comparison with well developed Ir catalysts, Ir-based pharmaceuticals are still in their infancy. In this Account, we review recent developments in organoiridium complexes as both catalysts and anticancer agents. Initial studies of anticancer activity with organoiridium complexes focused on square-planar Ir(I) complexes because of their structural and electronic similarity to Pt(II) anticancer complexes such as cisplatin. Recently, researchers have studied half-sandwich Ir(III) anticancer complexes. These complexes with the formula [(Cp(x))Ir(L^L')Z](0/n+) (with Cp* or extended Cp* and L^L' = chelated C^N or N^N ligands) have a much greater potency (nanomolar) toward a range of cancer cells (especially leukemia, colon cancer, breast cancer, prostate cancer, and melanoma) than cisplatin. Their mechanism of action may involve both an attack on DNA and a perturbation of the redox status of cells. Some of these complexes can form Ir(III)-hydride complexes using coenzyme NAD(P)H as a source of hydride to catalyze the generation of H2 or the reduction of quinones to semiquinones. Intriguingly, relatively unreactive organoiridium complexes containing an imine as a monodentate ligand have prooxidant activity, which appears to involve catalytic hydride transfer to oxygen and the generation of hydrogen peroxide in cells. In addition, researchers have designed inert Ir(III) complexes as potent kinase inhibitors. Octahedral cyclometalated Ir(III) complexes not only serve as cell imaging agents, but can also inhibit tumor necrosis factor α, promote DNA oxidation, generate singlet oxygen when photoactivated, and exhibit good anticancer activity. Although relatively unexplored, organoiridium chemistry offers unique features that researchers can exploit to generate novel diagnostic agents and drugs with new mechanisms of action.
TaskSpaces: A Software Framework for Parallel Bioinformatics on Computational Grids (2005)

This chapter contains sections titled: Introduction The TaskSpaces Framework Application: Finding Correctly Folded RNA Motifs Case Study: Operating the Framework on a Computational Grid Results for the RNA Motif Problem FutureWork Summary and Conclusion References
Reply Expectation Prediction for Email Management. (2005)

We reduce email overload by addressing the problem of waiting for a reply to one’s email. We predict whether sent and received emails necessitate a reply, enabling the user to both better manage his inbox and to track mail sent to others. We discuss the features used to discriminate emails, show promising initial results with a logistic regression model, and outline future directions for this work.
The optical diagnostics of the Fluid Science Laboratory (2018)

The Fluid Science Laboratory (FSL) is a multiuser facility developed and built by the European Space Agency (ESA). Its launch onboard the Columbus Laboratory, a module of the International Space Station (ISS) is foreseen in June 2005 according to the present planning. FSL can host sequentially Experiment Containers dedicated to a specific experiment in various scientific areas like fluid science, crystal growth, foams and directional solidification within transparent media and, owing to its adaptable diagnostic tools and its modularity on several levels, complementary science areas such as colloid and aerosol physics, particle agglomeration and plasma crystals are envisaged. The visualisation, monitoring and control of the experiment is based on a set of optical diagnostics included in the FSL facility such as visualisation in two perpendicular directions, velocimetry, ESPI and Wollaston interferometry, Schlieren working in transmission and reflection modes, infrared and a high speed camera. The paper will describe the optical tools included in FSL and their performances.
Functional Studies of the Extrahepatic Biliary System in the Dog by Use of a Controlled Biliary Fistula (1965)

From the Department of Surgery, University of Melbourne, Royal Melbourne Hospital, Melbourne, Australia
Microbial transformation of sterols. VI. Microbial production of 3-oxobisnorchola-1,4-dien-22-oic acid. (1978)

Among examined microorganisms which have ability to decompose cholesterol, Nocardia corallina IFO 3338 converted cholesterol to 3-oxobisnorchola-1, 4-dien-22-oic acid (BDA) at the conversion rate of 63%. The conversion product was identified as BDA by 1H-NMR, 13C-NMR, UV, IR, MS and elemental analysis. The presence of chelating agents or some metal ions was necessary for the accumulation of BDA. The most effective agents for the accumulation were α, α'-dipyridyl and o-phenan-throline. For the production of BDA, cholestanol, β-sitosterol, soy sterol (mixture), cholest-4-en-3-one and lithocholic acid could also be used as substrates other than cholesterol,
Unified constitutive equations for the inelastic behaviour of polycrystalline metals, based on a semi-micro approach. (1986)

Many important features observed in the inelastic behaviour of polycrystalline materials are caused for by a non-uniformity of microstructure and changes during the deformation process. Using the slip theory, a simplified model of a polycrystal which incorporates non-uniformity is presented, and a set of compact and reliable inelastic constitutive equations are developed, on the basis of the model, in a rate-form. The equation can reproduce deformation history effects and rate effects at an elevated temperature observed in a set of systematic experiments, with reasonable accuracy.
Computed Ligand Electronic Parameters from Quantum Chemistry and Their Relation to Tolman Parameters, Lever Parameters, and Hammett Constants (2001)

The calculated (DFT, B3PW91) A1 ν(CO) frequency in LNi(CO)3 defines an electronic parameter that reliably predicts the relative donor powers of a wide variety of cationic, neutral, and negatively charged ligands. These calculated parameters correlate very well with the available Tolman and Lever parameters, and also with Hammett's σm, where available. The method avoids any experimental limitations and, in particular, can be used for proposed ligands not yet experimentally available.
Increased expression of two phospholipase D isoforms during experimentally induced hippocampal mossy fiber outgrowth (2004)

Abstract Mammalian phospholipase D (PLD), a multifunctional signaling enzyme, has been reported to facilitate neurite outgrowth in cultured neurons. However, two mammalian isoforms have been found, PLD1 and PLD2, and it has not been determined which isoform is involved, or whether this in vitro phenomenon is relevant to neurite extension in vivo. Using confocal microscopy, we demonstrate that the PLDs are expressed by different cell types in the mouse brain: PLD1 by neurons, and PLD2 by astrocytes. Moreover, using a model of experimentally induced hippocampal mossy fiber sprouting, both isoforms were observed to increase dramatically in expression level along tracts of mossy fiber spouting, supporting the proposal that PLD plays a role in this process. Given that the two isoforms undertake unique molecular functions in cultured cells, our findings suggest that in vivo PLD1 and PLD2 may modulate neuronal plasticity via different pathways and cell types. © 2004 Wiley‐Liss, Inc.
Vacuum Degassing of Carbon Dioxide and Oxygen from Water in Packed Columns (1977)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTVacuum Degassing of Carbon Dioxide and Oxygen from Water in Packed ColumnsEdgar A. Rasquin, Scott Lynn, and Donald N. HansonCite this: Ind. Eng. Chem. Fundamen. 1977, 16, 1, 103–108Publication Date (Print):February 1, 1977Publication History Published online1 May 2002Published inissue 1 February 1977https://pubs.acs.org/doi/10.1021/i160061a020https://doi.org/10.1021/i160061a020research-articleACS PublicationsRequest reuse permissionsArticle Views556Altmetric-Citations8LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access options Get e-Alerts
Dielectric properties of stereoregular poly(methyl methacrylates) (1969)

Abstract To obtain more useful information about the effect of the degree of stereoregularity on the motion of the polymer chain, the dielectric and dilatometric measurements were made for a series of stereoregular poly(methyl methacrylates) (PMMA). The α‐ and β‐absorptions were observed in each sample, of which the dielectric behaviors of the α‐process are discussed. The temperature dependence of the relaxation time of the α‐process was sufficiently represented by the WLF equation and the resulting values of the parameters f g and B in the modified WLF equation were found smaller for isotactic‐rich PMMA than those values for syndiotactic PMMA. It may be deduced from these results that the chain mobility of the isotactic PMMA is larger than that of the syndiotactic. The dielectric increment of the α‐process in the isotactic PMMA is much larger than that in the syndiotactic PMMA, increasing rapidly with temperature, and taking its maximum in the temperature range of 55 to 60°C. The dielectric transition was clearly observed in the case of isotactic‐rich PMMA.
A differential scanning calorimetric study of the thermal unfolding of apo‐ and holo‐cytochrome <i>b</i><sub>562</sub> (1998)

Cytochrome b562 is a four-helix-bundle protein containing a non-covalently bound b-type heme prosthetic group. In the absence of heme, cytochrome b562 remains highly structured under native conditions. Here we report thermodynamic data for the thermal denaturation of the holo- and apoproteins as determined by differential scanning calorimetry. Thermal denaturation of holocytochrome b562 is a highly reversible process, and unexpectedly does not involve dissociation of the heme prosthetic group. Thermal denaturation of the corresponding apoprotein, with the heme group chemically removed, remains a cooperative, reversible process. Apocytochrome b562 is substantially destabilized relative to the holoprotein: the t1/2 is more than ten degrees lower, and enthalpy and heat capacity changes are about one-half of the holoprotein values. However, the energetic parameters of apocytochrome b562 denaturation are within the range of observed values for small proteins.
Risk Factors for Post‐treatment Complex Regional Pain Syndrome (CRPS): An Analysis of 647 Cases of <scp>CRPS</scp> from the Danish Patient Compensation Association (2017)

Female gender, surgical treatment, and treatment to the upper limb were risk factors. Elective surgery accounted for a large number of post-treatment CRPS patients. In CTS patients developing CRPS, normal neurophysiological examination findings were common, and it could be suspected that these patients were suffering from an pre-clinical stage of CRPS, not CTS.
Calcific Pulmonic Stenosis (1968)

Seven patients are described in whom calcium deposits occurred in stenotic pulmonary valves. In five the calcific deposits were visible on chest roentgenogram. Survival into adulthood and severe pulmonic stenosis appeared to be the prerequisites for the development of large deposits of calcium in this valve.
Intake Oxygen Sensor for EGR Measurement (2016)

<div class="section abstract"><div class="htmlview paragraph">Traditional EGR measurement systems using delta pressure over a fixed orifice such as a DPFE sensor (Delta Pressure Feedback for EGR), have limitations in the ability to measure EGR accurately. Also, the pressure drop that results from the orifice may not be acceptable in some applications. To measure the EGR accurately and without any pressure loss, a new measurement system was developed that uses an oxygen sensor in the intake air.</div><div class="htmlview paragraph">In this paper, the technology of using an oxygen sensor to measure the EGR concentration is discussed. The paper details the EGR measurement principle with an oxygen sensor and the associated mathematical relations of translating the oxygen measurement to EGR measurement. Factors affecting the EGR measurement such as the air/fuel ratio of the EGR, intake air pressure, and diffusion effects of the EGR constituents are discussed in detail. Compensation mechanisms are explained and associated results shown. A methodology to compensate for the part to part variability of the oxygen sensor is also discussed. Dyno and vehicle testing results with the compensations applied are shown and discussed.</div></div>
Word Recognition from Continuous Articulatory Movement Time-series Data using Symbolic Representations (2013)

Although still in experimental stage, articulation-based silent speech interfaces may have significant potential for facilitating oral communication in persons with voice and speech problems. An articulation-based silent speech interface converts articulatory movement information to audible words. The complexity of speech production mechanism (e.g., co-articulation) makes the conversion a formidable problem. In this paper, we reported a novel, real-time algorithm for recognizing words from continuous articulatory movements. This approach differed from prior work in that (1) it focused on word-level, rather than phoneme-level; (2) online segmentation and recognition were conducted at the same time; and (3) a symbolic representation (SAX) was used for data reduction in the original articulatory movement time-series. A data set of 5,900 isolated word samples of tongue and lip movements was collected using electromagnetic articulograph from eleven English speakers. The average speaker-dependent recognition accuracy was up to 80.00%, with an average latency of 302 miliseconds for each word prediction. The results demonstrated the effectiveness of our approach and its potential for building a real-time articulation-based silent speech interface for clinical applications. The across-speaker variation of the recognition accuracy was discussed. Index Terms: silent speech recognition, laryngectomy, support vector machine, SAX, time-series
Decision and Risk Analysis Through the Life of the Field (2007)

Abstract Investing in an oil and gas field is capital intensive and usually involves many risks. Nevertheless, the economic evaluations of these types of investment opportunities often ignore risk or are based on subjective risk assessments that are frequently biased. Furthermore, as the life of the field progresses, well and seismic data become available and the risk level of the project changes. In this paper we demonstrate a decision and risk analysis (DRA) method that minimizes the subjectivity in the evaluation and that can be consistently updated as the life of the field progresses. We use a tank production model and Monte Carlo (MC) methods to simulate the possible economic outcomes, and ensuing risk, of a primary oil recovery project as a function of the uncertainties associated with the reservoir properties. During the early stages of the field (i.e. pre-discovery) the uncertainty information comes from the analysis of analog fields. In the post-discovery stage, the initial uncertainties are updated with well and seismic data using an application of Bayes theorem. The method demostrated here gives decision makers a consistent and relatively transparent way to evaluate E&P investment opportunities. It also allows them to track how the risk level of a project changes through the life of the field.
Microfabricated, light-sensitive AFM probe for scanning near field optical microscopy (1999)

SAMLAB
MPL: MATHEMATICAL PROGRAMMING LANGUAGE (1968)

The purpose of MPL is to provide a language for writing mathematical programming algorithms that will be easier to write, to read, and to modify than those written in currently available computer languages. It is believed that the writing, testing, and modification of codes for solving large-scale linear programs will be a less formidable undertaking once MPL becomes available. It is hoped that by the Fall of 1968, work on a compiler for MPL will be well underway.
Chromogranin A plasma concentration and expression in pancreatic islet cell tumors of dogs and cats (1997)

Immunohistochemical staining of tissues or cytologic specimens for CgA and/or neuron-specific enolase may help distinguish masses of unknown origin as neuroendocrine in nature. Increase in plasma CgA concentration may be useful diagnostically for animals with suspected neuroendocrine tumors.
Data management in peer-to-peer systems (2005)

The peer-to-peer (P2P) model of distributed computation is characterized by three laws: (i) all peers are born equal; (ii) the set of participant peers is dynamic and may be arbitrarily large; and (iii) peers are distributed over a wide-area network. These three laws pose significant challenges to the development of efficient data-management solutions in the P2P model. 
The first law requires decentralized design with no reliance on central servers, as well as load balance across peers. The second law requires designing for failures being the norm rather than an exception. The third law requires optimization of data placement and communication for a heterogeneous underlying network where the latency and communication bandwidth between different pairs of peers may be different. 
We discuss how these challenges may be met in enabling efficient data management solutions over P2P systems. Some of the highlights of our contributions include: (1) Hierarchical overlay-network design optimized for the underlying physical network with improved fault isolation support for efficient data caching. (2) Novel load-balancing algorithms for range-partitioned data that enables efficient range queries. (3) Data-partitioning techniques for multi-dimensional data which, combined with novel routing structures, enable efficient multi-dimensional queries. (4) Indexing schemes for dynamic data that can trade off the cost of maintaining the index against the benefit that the index offers for queries.
Evolution of Enzymatic Activity in the Enolase Superfamily:  Functional Studies of the Promiscuous <i>o</i>-Succinylbenzoate Synthase from <i>Amycolatopsis</i> (2003)

Divergent evolution of enzyme function is commonly explained by a gene duplication event followed by mutational changes that allow the protein encoded by the copy to acquire a new function. An alternate hypothesis is that this process is facilitated when the progenitor enzyme acquires a second function while maintaining the original activity. This phenomenon has been suggested to occur in the o-succinylbenzoate synthase (OSBS) from a species of Amycolatopsis that catalyzes not only the physiological syn-dehydration reaction of 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate but also an accidental racemization of N-acylamino acids [Palmer, D. R., Garrett, J. B., Sharma, V., Meganathan, R., Babbitt, P. C., and Gerlt, J. A. (1999) Biochemistry 38, 4252-4258]. To understand the molecular basis of this promiscuity, three-dimensional structures of liganded complexes of this enzyme have been determined, including the product of the OSBS reaction and three N-acylamino acid substrates for the N-acylamino acid racemase (NAAAR) reaction, N-acetylmethionine, N-succinylmethionine, and N-succinylphenylglycine, to 2.2, 2.3, 2.1, and 1.9 A resolution, respectively. These structures show how the active-site cavity can accommodate both the hydrophobic substrate for the OSBS reaction and the substrates for the accidental NAAAR reaction. As expected, the N-acylamino acid is sandwiched between lysines 163 and 263, which function as the catalytic bases for the abstraction of the alpha-proton in the (R)- and (S)-racemization reactions, respectively [Taylor Ringia, E. A., Garrett, J. B, Thoden, J. B., Holden, H. M., Rayment, I., and Gerlt, J. A. (2004) Biochemistry 42, 224-229]. Importantly, the protein forms specific favorable interactions with the hydrophobic amino acid side chain, alpha-carbon, carboxylate, and the polar components of the N-acyl linkage. Accommodation of the components of the N-acyl linkage appears to be the reason that this enzyme is capable of a racemization reaction on these substrates, whereas the orthologous OSBS from Escherichia coli lacks this functionality.
DMP3: A DYNAMIC MULTILAYER PERCEPTRON CONSTRUCTION ALGORITHM (2001)

This paper presents DMP3 (Dynamic Multilayer Perceptron 3), a multilayer perceptron (MLP) constructive training method that constructs MLPs by incrementally adding network elements of varying complexity to the network. DMP3 differs from other MLP construction techniques in several important ways, and the motivation for these differences are given. Information gain rather than error minimization is used to guide the growth of the network, which increases the utility of newly added network elements and decreases the likelihood that a premature dead end in the growth of the network will occur. The generalization performance of DMP3 is compared with that of several other well-known machine learning and neural network learning algorithms on nine real world data sets. Simulation results show that DMP3 performs better (on average) than any of the other algorithms on the data sets tested. The main reasons for this result are discussed in detail.
Modulation of mitomycin cross-linking by DNA bending in the Escherichia coli CAP protein-DNA complex (1989)

We have examined the comparative reactivity of mitomycin cross-linking sites in DNA molecules either free in solution or complexed with Escherichia coli CAP protein. Sites in the region to which the protein is bound show strongly variable cross-linking by the drug. The reactivity of a CpG site located where the minor groove is narrowed by bending toward the protein was decreased by about 4-fold, compared to free DNA. The reactivity of a site placed so that the minor groove is widened by the bend was reduced by about 25%, and the reactivity of a (CpG)3 sequence facing primarily away from the protein was reduced 25-fold by CAP binding. These results support the view that local DNA structure plays a critical role in determining the efficiency of cross-linking.