gebhart/patrepeval huggingface dataset:
Effects of Chain Length on the Mechanism and Rates of Metal-Catalyzed Hydrogenolysis ofn-Alkanes (2016)

C–C cleavage in C2–C10 n-alkanes involves quasi-equilibrated C–H activation steps to form dehydrogenated intermediates on surfaces saturated with H atoms. These reactions are inhibited by H2 to similar extents for C–C bonds of similar substitution in all acyclic and cyclic alkanes and, thus, show similar kinetic dependences on H2 pressure. Yet, turnover rates depend sensitively on chain length because of differences in activation enthalpies (ΔH⧧) and entropies (ΔS⧧) whose mechanistic origins remain unclear. Density functional theory (DFT) estimates of ΔH⧧ and ΔG⧧ for C–C cleavage via >150 plausible elementary steps for propane and n-butane reactants on Ir show that hydrogenolysis occurs via α,β-bound RC*–C*R′⧧ transition states (R = H, CxH2x+1) in which two H atoms are removed from each C*. Calculated ΔH⧧ values decrease with increasing alkane chain length (C2–C8), consistent with experiment, because attractive van der Waals interactions with surfaces preferentially stabilize larger transition states. A concomitant increase in ΔS⧧, evident from experiments, is not captured by periodic DFT methods, which treat low-frequency vibrational modes inaccurately, but statistical mechanics treatments describe such effects well for RC*–C*R⧧ species, as previously reported. These findings, together with parallel studies of the cleavage of more substituted C–C bonds in branched and cyclic alkanes, account for the reasons that chain length and substitution influence ΔH⧧ and ΔS⧧ values and the dependence of rates on H2 pressure and consequently explain differences in hydrogenolysis reactivities and selectivities across all alkanes.
Serendipity in Analytical Chemistry (1983)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSerendipity in Analytical ChemistryPeter F. LottCite this: Anal. Chem. 1983, 55, 2, 245A–248APublication Date (Print):February 1, 1983Publication History Published online29 May 2012Published inissue 1 February 1983https://pubs.acs.org/doi/10.1021/ac00253a794https://doi.org/10.1021/ac00253a794research-articleACS PublicationsRequest reuse permissionsArticle Views33Altmetric-Citations1LEARN 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 optionsGet e-Alertsclose Get e-Alerts
Mechanism and regulation of intestinal phosphate absorption. (1990)

Proper absorption of inorganic phosphate (Pi) from the lumen of the small intestine is of great importance for the achievement of Pi homeostasis. Although due to intralumenal H+ and Pi concentrations, Pi probably can be absorbed as H2PO4- by passive means in the duodenum, transepithelial transport of HPO4(2)- requires uptake from the lumen by an active transport system. The latter has been identified in many species as a Na(+)-Pi cotransport system at the brush-border membrane of the enterocyte. Although it is still a matter of debate whether the intestinal Na+ gradient-driven Pi transport system is electrogenic or electroneutral, there is agreement that the transporter accepts H2PO4- and HPO4(2)- alike. Recently, two laboratories independently isolated a Na(+)-Pi-binding protein which has been tentatively identified as part of the Na(+)-Pi cotransport system. Movement of Pi from the cytosol across the basolateral membrane into the interstitial space has only been preliminarily characterized as transfer by facilitated diffusion. Na(+)-Pi cotransport across the brush-border membrane is under control by the active vitamin D metabolite, 1,25-dihydroxyvitamin D3 (1,25-(OH)2D3). The sterol increases the intrinsic activity, i.e. the number and/or mobility of Na(+)-Pi carriers through genomic and probably also nongenomic actions. In addition, the rate of Na(+)-gradient-driven Pi transport can be enhanced by the hormone also through reduction of transmembrane Na+ fluxes so that more energy for translocation becomes available from the transmembrane Na+ gradient. Evidence is accumulating that thyroid hormones as well as glucocorticoids, apart from stimulating vitamin D-independent Pi uptake, potentiate the effect of 1,25-(OH)2D3 on Na(+)-Pi cotransport across the brush-border membrane.
Large-scale SNP scoring from unamplified genomic DNA (2000)

Discoveries from the Human Genome Project (HGP) continue to spur changes in medical technology that will lead to new diagnostic procedures in the clinical lab. As more single nucleotide polymorphisms (SNPs) are discovered and correlated to human diseases, demands for genetic tests will increase. The enormity of the number of SNPs makes developing inexpensive and reliable high-throughput methods for SNP scoring imperative. High-throughput screening (HTS) means, at a minimum, a production rate of thousands of assays per day. Ideally, the technology will be easy, inexpensive and amenable to automation. The Invader assay offers a simple diagnostic platform to detect single nucleotide changes with high specificity and sensitivity from unamplified, genomic DNA. The Invader assay uses a structure-specific 5' nuclease (or flap endonuclease) to cleave sequence-specific structures in each of two cascading reactions. The cleavage structure forms when two synthetic oligonucleotide probes hybridise in tandem to a target. One of the probes cycles on and off the target and is cut by the nuclease only when the appropriate structure forms. These cleaved probes then participate in a second Invader reaction involving a dye-labelled fluorescence resonance energy transfer (FRET) probe. Cleavage of this FRET probe generates a signal, which can be readily analysed by fluorescence microtitre plate readers. The two cascading reactions amplify the signal significantly; each original target molecule can lead to more than 10(6) cleaved signal probes in one hour. This signal amplification permits identification of single base changes directly from genomic DNA without prior target amplification. The sequences of the oligonucleotide components of the secondary reaction are independent of the target of interest and permit the development of universal secondary reaction components useful to identify any target.
Value of somatosensory and motor evoked potentials in predicting arm recovery after a stroke (2000)

Neurophysiological measures alone are of limited value in predicting long term outcome. However, predictive accuracy is substantially improved through the combined use of both of these measures and clinical variables.
Genetic engineering of T cell specificity (2004)

The development of new strategies for the treatment of cancer and infectious diseases have&#13;\nprimarily been based on advances in basic biology. Technologies that evolved from our&#13;\nunderstanding of the immune system include monoclonal antibody production, isolation and cloning&#13;\nof immune cells, large scale tissue culture, cloning of genes encoding all kinds of functional&#13;\nmolecules and the development of technologies to transfer these cloned genes to somatic cells of&#13;\nchoice. To date the most effective and specific eradication of solid tumors is surgical removal, but&#13;\nthis has not resulted in overall cure of patients because metastasis of tumors are not always&#13;\naccessible for the surgeons knife. Therefore T cell-based strategies that aim to selectively target and&#13;\ndestroy cancer cells are being developed.
Cerebral visual impairment, autism, and pancreatitis associated with a 9 Mbp deletion on 10p12 (2014)

Bosch, Daniëlle G.M.a,b,c,d; Boonstra, Frouke N.a,c; Pfundt, Rolphb; Cremers, Frans P.M.b,d; de Vries, Bert B.A.b,c Author Information
Host Range of Larvae of the Western Corn Rootworm123 (1967)

Journal Article Host Range of Larvae of the Western Corn Rootworm Get access Terry F. Branson, Terry F. Branson Entomology Research Division, Agr. Res. Serv., USDA, Brookings, South Dakota Search for other works by this author on: Oxford Academic PubMed Google Scholar Eldon E. Ortman Eldon E. Ortman Entomology Research Division, Agr. Res. Serv., USDA, Brookings, South Dakota Search for other works by this author on: Oxford Academic PubMed Google Scholar Journal of Economic Entomology, Volume 60, Issue 1, 1 February 1967, Pages 201–203, https://doi.org/10.1093/jee/60.1.201 Published: 01 February 1967 Article history Accepted: 07 September 1966 Published: 01 February 1967
Early and persistent induction of monocyte chemoattractant protein 1 in rat cardiac allografts. (1993)

The early response gene for monocyte chemoattractant protein 1 (MCP-1) encodes a potent chemotactic factor that is specific for monocytes. To determine whether MCP-1 is involved in macrophage recruitment in cardiac allografts, we studied time-dependent MCP-1 gene and protein expression patterns in the heterotopic, Lewis to F-344 rat transplantation model (by reverse transcription-PCR and immunohistochemistry). There was a significant increase (8- to 12-fold) in MCP-1 gene transcripts in cardiac allografts compared with host hearts at 7, 14, and 28 days after transplantation. This induction was not observed with syngeneic transplants or hosts exposed to the same circulating cells and blood products. The MCP-1 gene product was expressed predominantly by mononuclear cells that double-stained with antimacrophage antibody (ED1) and localized to the interstitial and vascular spaces of the allografts. Immunocytochemical cell counting revealed significant increases in both MCP-1- and ED1-immunopositive cells in 7-, 14-, and 28-day allografts (in comparison with day 0 hearts). The absolute number of MCP-1-positive cells (5-7%) was lower than that of ED1-positive cells (25-34%) at all time points, suggesting that MCP-1-positive cells represent a subpopulation of activated macrophages. The persistent expression of MCP-1 in association with increased macrophage localization suggests that this inducible mediator contributes to the chronic inflammatory response following cardiac transplantation and that it may play a role in the pathogenesis of transplant arteriosclerosis.
Impact of Humidification Systems on Ventilator-associated Pneumonia (2005)

These results suggest that both heated humidifiers and heat and moisture exchanger filters can be used with no significant impact on the incidence of ventilator-associated pneumonia and that other criteria may justify their choice.
Nitrogen Compounds of the Phosphoric and Phosphonic Acids. III. Preparation and Properties of Amides of Phenylphosphonic and Phenylphosphonothioic Acids1 (1957)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNitrogen Compounds of the Phosphoric and Phosphonic Acids. III. Preparation and Properties of Amides of Phenylphosphonic and Phenylphosphonothioic Acids1WILLIAM C. SMITH and L. F. AUDRIETHCite this: J. Org. Chem. 1957, 22, 3, 265–267Publication Date (Print):March 1, 1957Publication History Published online1 May 2002Published inissue 1 March 1957https://pubs.acs.org/doi/10.1021/jo01354a010https://doi.org/10.1021/jo01354a010research-articleACS PublicationsRequest reuse permissionsArticle Views253Altmetric-Citations16LEARN 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 optionsGet e-Alertsclose Get e-Alerts
Accumulation of tau induced in neurites by microglial proinflammatory mediators (2009)

Aggregated fibrillary microtubule-associated protein tau is the major component of neurofibrillary tangles in Alzheimer's disease. The exact molecular mechanism of tau aggregation is unknown. Microglial cell activation and migration toward amyloid-beta plaques precede the appearance of dysmorphic neurites and formation of neurofibrillary tangles. Here, we analyzed the accumulation of tau at a distance range of expected spontaneous aggregation by fluorescence lifetime-based Förster resonance energy transfer in cultured primary murine neurons cotransfected with the human tau gene tagged to the green fluorescent protein variants Citrine (tau-Citrine) and Cerulean (tau-Cerulean). No spontaneous accumulation of cotransfected tau-Citrine and tau-Cerulean was detected in untreated neurons. Coculture of neurons with activated microglia induced aggregation of tau in neurites. Treatment of neurons with tumor necrosis factor-alpha (TNF-alpha) stimulated reactive oxygen species generation and resulted in the accumulation of tau-Citrine and tau-Cerulean in neurites, which was inhibited by neutralization of TNF and the free radical inhibitor 6-hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid (Trolox). These data demonstrate that activated microglia and the microglial-derived proinflammatory cytokine TNF can induce accumulation of the aggregation-prone tau molecules in neurites via reactive oxygen species.
Ontogeny and Expansion of Human Natural Killer Cells: Clinical Implications (2001)

Our knowledge of NK cells and their critical role in the innate immune system has increased enormously since their discovery several decades ago. However, it is only within the last 10 years that rational cytokine therapies, such as those utilizing low doses of IL-2, have been successful in expanding NK cells in patients with cancer and/or immunodeficiency. Such experiences in vivo have highlighted the importance of basing immunotherapeutic strategies on the known cellular and molecular properties of the targeted cell population. Recent advances in our understanding of the physiologic factors and events that orchestrate NK cell ontogeny, including IL-15 and receptor tyrosine kinase ligands to c-kit and flt3, provide novel therapeutic possibilities for cytokine therapy. This review summarizes our current understanding of human NK cell ontogeny, and links this knowledge to ongoing and future clinical strategies for the endogenous expansion of NK cells in patients with cancer and/or immunodeficiency.
Solid phase extraction and spectrophotometric determination of mercury in tobacco and tobacco additives with 5-(p-aminobenzylidene)-thiothiorhodanine (2006)

A highly sensitive, selective and rapid method for the determination of mercury based on the rapid reaction of mercury(II) with 5-(p-aminobenzylidene)-thiorhodanine (ABTR) and the solid phase extraction of the colored chelate with C18 disks has been developed. At pH 3.5 and in the presence of emulsifier-OP medium, ABTR reacts with mercury(II) to form a red chelate of a 1:2 (mercury to ABTR) molar ratio. This chelate was enriched by solid phase extraction with C18 disks and the retained chelate eluted form the disks with dimethyl formamide (DMF). An enrichment factor of 50 was achieved. In the DMF medium, the molar absorptivity of the chelate is 1.21<FONT FACE=Symbol>´</FONT>10(5) L mol-1 cm-1 at 545 nm, and Beer's law is obeyed in the 0.01~3 µg mL-1 range in the measured solution. The relative standard deviation for eleven sample replicate measurements at the 0.01 µg mL-1 level is 1.7%. This method was applied to the determination of mercury in tobacco and tobacco additives and good preconcentration was found between proposed and comparative methods results.
Ventricular Rate Control by Selective Vagal Stimulation Is Superior to Rhythm Regularization by Atrioventricular Nodal Ablation and Pacing During Atrial Fibrillation (2002)

AVN-VS can produce graded slowing of the VR during AF without destroying the AVN. It was hemodynamically superior to AVN ablation with either r-RVP or i-RVP, indicating that the benefits of preserving the physiological antegrade ventricular activation sequence outweigh the detrimental effect of irregularity.
Detection of specific polymerase chain reaction product by utilizing the 5'----3' exonuclease activity of Thermus aquaticus DNA polymerase. (1991)

The 5'----3' exonuclease activity of the thermostable enzyme Thermus aquaticus DNA polymerase may be employed in a polymerase chain reaction product detection system to generate a specific detectable signal concomitantly with amplification. An oligonucleotide probe, nonextendable at the 3' end, labeled at the 5' end, and designed to hybridize within the target sequence, is introduced into the polymerase chain reaction assay. Annealing of probe to one of the polymerase chain reaction product strands during the course of amplification generates a substrate suitable for exonuclease activity. During amplification, the 5'----3' exonuclease activity of T. aquaticus DNA polymerase degrades the probe into smaller fragments that can be differentiated from undegraded probe. The assay is sensitive and specific and is a significant improvement over more cumbersome detection methods.
Mining approximate top-k subspace anomalies in multi-dimensional time-series data (2007)

Market analysis is a representative data analysis process with many applications. In such an analysis, critical numerical measures, such as profit and sales, fluctuate over time and form time-series data. Moreover, the time series data correspond to market segments, which are described by a set of attributes, such as age, gender, education, income level, and product-category, that form a multi-dimensional structure. To better understand market dynamics and predict future trends, it is crucial to study the dynamics of time-series in multi-dimensional market segments. This is a topic that has been largely ignored in time series and data cube research. In this study, we examine the issues of anomaly detection in multi-dimensional time-series data. We propose timeseries data cube to capture the multi-dimensional space formed by the attribute structure. This facilitates the detection of anomalies based on expected values derived from higher level, “more general ” time-series. Anomaly detection in a time-series data cube poses computational challenges, especially for high-dimensional, large data sets. To this end, we also propose an efficient search algorithm to iteratively select subspaces in the original high-dimensional space and detect anomalies within each one. Our experiments with both synthetic and real-world data demonstrate the effectiveness and efficiency of the proposed solution. 1.
Pharmacokinetic and thrombolytic properties of chimeric plasminogen activators consisting of a single-chain Fv fragment of a fibrin- specific antibody fused to single-chain urokinase (1993)

The pharmacokinetic and thrombolytic properties were determined of two recombinant single-chain chimeric plasminogen activators (PA) consisting of u-PA-33k, a low-molecular weight derivative of single-chain urokinase-type PA (scu-PA) comprising amino acids Ala132 through Leu411, and of either a single-chain variable region fragment (Fv) derived from the fibrin fragment D-dimer-specific monoclonal antibody MA-15C5 (K12G0S32) or of the deglycosylated single-chain Fv fragment obtained by substitution of Asn88 with Glu (K12G2S32). Following bolus injection in hamsters, clearances of recombinant scu-PA (rscu-PA) and of K12G0S32 were similar. In contrast, clearance of K12G2S32 was fourfold slower than that of rscu-PA. The thrombolytic potency (percent lysis per u-PA administered in milligrams per kilogram body weight) and specific thrombolytic activity (percent lysis per microgram per milliliter steady-state plasma u-PA antigen level) of these compounds were studied in hamsters with an experimental pulmonary embolus consisting of a human plasma clot injected via the jugular vein. The doses of K12G0S32 and K12G2S32 required to obtain maximal rate of clot lysis were sixfold and 11-fold lower than that of rscu-PA. The steady-state u-PA-related plasma antigen levels of K12G0S32 and K12G2S32 required to obtain maximal rate of clot lysis were 10-fold and fourfold lower than that of rscu-PA. Thus, targeting of K12G0S32 to the clot surface by means of its glycosylated Fv fragment results in a 10-fold increase of its specific thrombolytic activity and sixfold increase of its thrombolytic potency as compared with those of rscu-PA. Targeting of K12G2S32 to the clot surface by means of its deglycosylated Fv fragment results in only a twofold increase of its thrombolytic activity. However, its fourfold slower clearance, combined with its twofold higher specific thrombolytic activity, results in an 11-fold increase of its thrombolytic potency over that of rscu-PA. These findings indicate that the thrombolytic potency of chimeric antibody-targeted PA may be increased by increasing the specific thrombolytic activity, reducing the clearance, or both.
Method for the addition of the elements of ketene to some selected dienes in Diels-Alder fashion (1968)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMethod for the addition of the elements of ketene to some selected dienes in Diels-Alder fashionPeter K. Freeman, Dean M. Balls, and Darol J. BrownCite this: J. Org. Chem. 1968, 33, 6, 2211–2214Publication Date (Print):June 1, 1968Publication History Published online1 May 2002Published inissue 1 June 1968https://pubs.acs.org/doi/10.1021/jo01270a009https://doi.org/10.1021/jo01270a009research-articleACS PublicationsRequest reuse permissionsArticle Views643Altmetric-Citations82LEARN 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 optionsGet e-Alertsclose Get e-Alerts
Relationship of Mitotic Arrest and Apoptosis to Antitumor Effect of Paclitaxel (1996)

Apoptosis is an important mechanism of cell death in response to paclitaxel treatment of in vivo murine tumors. An underlying tumor type-specific propensity for apoptosis is implied by the correlation between pretreatment and paclitaxel-induced apoptosis. Both the extent of pretreatment apoptosis and the paclitaxel-induced percentage of apoptosis may be useful predictors of response to the drug.