gebhart/patrepeval huggingface dataset:
Water-soluble lanthanide porphyrins: shift reagents for aqueous solution (1978)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTWater-soluble lanthanide porphyrins: shift reagents for aqueous solutionWilliam DeW. Horrocks Jr. and Emmanuel G. HoveCite this: J. Am. Chem. Soc. 1978, 100, 14, 4386–4392Publication Date (Print):July 1, 1978Publication History Published online1 May 2002Published inissue 1 July 1978https://pubs.acs.org/doi/10.1021/ja00482a012https://doi.org/10.1021/ja00482a012research-articleACS PublicationsRequest reuse permissionsArticle Views505Altmetric-Citations62LEARN 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
Piezoelectrochemical Effect: A New Mechanism for Azo Dye Decolorization in Aqueous Solution through Vibrating Piezoelectric Microfibers (2012)

A newly discovered piezoelectrochemical (PZEC) effect for the direct conversion of mechanical energy to chemical energy is applied for the mechanically induced degradation of a dye of C.I. Acid Orange (AO7) from aqueous solution in the presence of BaTiO3 microdendrites. The mechanism of the PZEC degradation of the dye depends on the ultrasonic vibration used, in which the formation of the strain-induced electric charges on the dendrite surface is due to the deformation and local charge accumulation on the BaTiO3. With sufficient applied electric potential, strained piezoelectric dendrites in AO7 aqueous solution triggered the decomposition reaction. The process is monitored by following the decolorization rate of AO7. The effects of pH, catalyst loading, and initial dye concentration on dye degradation were also studied. Kinetic analyses reveal that the PZEC degradation rates of AO7 can be approximated in terms of the Langmuir–Hinshelwood model. The value of the adsorption equilibrium constant, KAO7, was 0.149 (mgl–1)−1, and the value of the kinetic rate constant of the surface reaction, kc, was 0.50 mgl–1 min–1. These new strain-induced chemical reactions can provide a simple and cost-effective technology for decomposing organic pollutants in aqueous solution by scavenging waste energy such as noise or stray environmental vibrations.
Substrate specificity of the ileal and the hepatic Na+/bile acid cotransporters of the rabbit. II. A reliable 3D QSAR pharmacophore model for the ileal Na+/bile acid cotransporter (1999)

To design a reliable 3D QSAR model of the intestinal Na(+)/bile acid cotransporter, we have used a training set of 17 inhibitors of the rabbit ileal Na(+)/bile acid cotransporter. The IC(50) values of the training set of compounds covered a range of four orders of magnitude for inhibition of [(3)H]cholyltaurine uptake by CHO cells expressing the rabbit ileal Na(+)/bile acid cotransporter allowing the generation of a pharmacophore using the CATALYST algorithm. After thorough conformational analysis of each molecule, CATALYST generated a pharmacophore model characterized by five chemical features: one hydrogen bond donor, one hydrogen bond acceptor, and three hydrophobic features. The 3D pharmacophore was enantiospecific and correctly estimated the activities of the members of the training set. The predicted interactions of natural bile acids with the pharmacophore model of the ileal Na(+)/bile acid cotransporter explain exactly the experimentally found structure;-activity relationships for the interaction of bile acids with the ileal Na(+)/bile acid cotransporter (Kramer et al. 1999. J. Lipid. Res. 40: 1604;-1617). The natural bile acid analogues cholyltaurine, chenodeoxycholyltaurine, or deoxycholyltaurine were able to map four of the five features of the pharmacophore model: a) the five-membered ring D and the methyl group at position 18 map one hydrophobic site and the 21-methyl group of the side chain maps a second hydrophobic site; b) one of the alpha-oriented hydroxyl groups at position 7 or 12 fits the hydrogen bond donor feature; c) the negatively charged side chain acts as hydrogen bond acceptor; and d) the hydroxy group at position 3 does not specifically map any of the five binding features of the pharmacophore model. The 3-hydroxy group of natural bile acids is not essential for interactions with ileal or hepatic Na(+)/bile acid cotransporters. A modification of the 3-position of a natural bile acid molecule is therefore the preferred position for drug targeting strategies using bile acid transport pathways.
Highly Efficient Monophosphine-Based Catalyst for the Palladium-Catalyzed Suzuki−Miyaura Reaction of Heteroaryl Halides and Heteroaryl Boronic Acids and Esters (2007)

A highly active and efficient catalyst system derived from a palladium precatalyst and monophosphine ligands 1 or 2 for the Suzuki-Miyaura cross-coupling reaction of heteroaryl boronic acids and esters has been developed. This method allows for the preparation of a wide variety of heterobiaryls in good to excellent yields and displays a high level of activity for the coupling of heteroaryl chlorides as well as hindered aryl and heteroaryl halides. Specific factors that govern the efficacy of the transformation for certain heterocyclic motifs were also investigated.
Influence of Promethazine on Symptom-Therapy Scores for Nausea During Patient-Controlled Analgesia With Morphine (1992)

We assessed whether adding promethazine to the syringe containing morphine for patient-controlled analgesia (PCA) decreases nausea after gynecologic surgery. Patients were assigned randomly to receive PCA (morphine 1.5 mg, 6-min lockout interval) with or without promethazine (0.625 mg/PCA dose, providing an average of 17.6 mg/24 h). Assessments included a visual analogue scale (VAS) for nausea (0 = none, 10 = worst possible) at scheduled times, rescue therapy requirements, and a maximum symptom-therapy score that provided an aggregate assessment of nausea intensity, duration, and response to rescue therapy (0 = no nausea; 1 = mild; 2 = moderate, requiring droperidol; 3 = severe or persistent, requiring droperidol; 4 = requiring droperidol+transdermal scopolamine; 5 = unrelieved). Nausea scores on the visual analogue scale at 2, 6, 8, and 24 h and use of rescue droperidol identified no significant differences between the groups. However, symptom-therapy scores differed significantly, with median values of 0 and 2, respectively, for the promethazine-treated and control groups. We conclude that simultaneous titration of morphine and promethazine decreases nausea associated with PCA therapy; the difference may best be appreciated with use of the combined symptom-therapy score.
A cryogenic single nanoparticle action spectrometer (2019)

A nanoparticle (NP) mass spectrometer designed to perform action spectroscopy on single NPs at cryogenic temperatures is described. NPs from an electrospray ion source with masses ranging from 460 to 740 MDa are injected and trapped in a temperature controllable (8-350 K) split-ring electrode ion-trap characterized by improved optical access and trapping potential. After excess NPs are ejected from the trap, the mass-to-charge ratio and subsequently the absolute mass of the trapped NP are determined nondestructively using Fourier transformation and resonant excitation methods. The setup allows us to monitor the mass variation of a single NP as a function of the ion-trap temperature, collision-gas pressure, and irradiation laser power. Ion-trap temperature controlled N<sub>2</sub> adsorption at cryogenic temperatures onto a single, ∼90 nm diameter SiO<sub>2</sub> NP is demonstrated and characterized. We further show that laser irradiation at 532 nm leads to power-dependent changes in the effective N<sub>2</sub> adsorption rate of the particle, which can be monitored and ultimately exploited to measure absorption spectra of a single NP.
Optimally combining sampling techniques for Monte Carlo rendering (1995)

Monte Carlo integration is a powerful technique for the evaluation of difficult integrals. Applications in rendering include distribution ray tracing, Monte Carlo path tracing, and form-factor computation for radiosity methods. In these cases variance can often be significantly reduced by drawing samples from several distributions, each designed to sample well some difficult aspect of the integrand. Normally this is done by explicitly partitioning the integration domain into regions that are sampled differently. We present a powerful alternative for constructing robust Monte Carlo estimators, by combining samples from several distributions in a way that is provably good. These estimators are unbiased, and can reduce variance significantly at little additional cost. We present experiments and measurements from several areas in rendering: calculation of glossy highlights from area light sources, the "final gather" pass of some radiosity algorithms, and direct solution of the rendering equation using bidirectional path tracing.
Native defects in gallium nitride (1995)

The results of an extensive theoretical study of native defects in hexagonal GaN are presented. We have considered cation and anion vacancies, antisites, and interstitials. The computations were carried out using ab initio molecular dynamics in supercells containing 72 atoms. N vacancy introduces a shallow donor level, and may be responsible for the n-type character of as-grown GaN. Due to the wide gap of nitrides, self-compensation effects strongly reduce both n-type and p-type doping efficiencies due to the formation of gallium vacancy and interstitial Ga, respectively.
Dichloroacetate exerts therapeutic effects in transgenic mouse models of Huntington's disease (2001)

Dichloroacetate (DCA) stimulates pyruvate dehydrogenase complex (PDHC) activity and lowers cerebral lactate concentrations. In the R6/2 and N171-82Q transgenic mouse models of Huntington's disease (HD), DCA significantly increased survival, improved motor function, delayed loss of body weight, attenuated the development of striatal neuron atrophy, and prevented diabetes. The percentage of PDHC in the active form was significantly reduced in R6/2 mice at 12 weeks of age, and DCA ameliorated the deficit. These results provide further evidence for a role of energy dysfunction in HD pathogenesis and suggest that DCA may exert therapeutic benefits in HD.
Successful Use of Extracorporeal Photochemotherapy in the Treatment of Severe Acute and Chronic Graft-Versus-Host Disease (1998)

Extracorporeal exposure of peripheral blood mononuclear cells to the photosensitizing compound 8-methoxypsoralen and ultraviolet A radiation has been shown to be effective in the treatment of several T-cell–mediated diseases, including cutaneous T-cell lymphoma and rejection after organ transplantation. We present 21 patients (10 men and 11 women) with hematological malignancies with a median age of 36 years (range, 25 to 55 years) who had received marrow grafts from sibling (n = 12) or unrelated (n = 9) donors. Six patients had acute graft-versus-host disease (GVHD) grade II to III not responding to cyclosporine A (CSA) and prednisolone when referred to extracorporeal photochemotherapy (ECP). In 15 patients, 2 to 24 months after bone marrow transplantation (BMT), extensive chronic GVHD with involvement of skin (n = 15), liver (n = 10), oral mucosa (n = 11), ocular glands (n = 6), and thrombocytopenia (n = 3) developed and was unresponsive to conventional therapy, including steroids. All patients were treated with ECP on 2 consecutive days every 2 weeks for the first 3 months and thereafter every 4 weeks until resolution of GVHD. ECP was tolerated excellently without any significant side effects. After a median of 14 cycles of ECP, acute GVHD resolved completely in 4 of 6 patients (67%) and partially in another 2 patients. Cutaneous chronic GVHD completely resolved in 12 of 15 (80%) patients. Contractures of knees and elbows due to scleroderma resolved partially. Oral mucosal ulcerations resolved in all patients. Seven of 10 patients (70%) with liver involvement had complete responses after ECP. After discontinuation of ECP, no severe infections were observed. Our findings suggest that ECP is a safe and effective adjunct therapy for both acute and extensive chronic GVHD with skin and visceral involvement and resistance to conventional therapy. © 1998 by The American Society of Hematology.
First trimester diagnosis of adenosine deaminase deficiency (1987)

Adenosine deaminase deficiency has been detected in the first trimester by direct analysis of enzyme activity in chorionic villi in a pregnancy at risk. Data for purine nucleoside phosphorylase activity in chorionic villi from healthy controls in the first trimester are also presented and should allow equally rapid diagnosis of this disorder.
METABOLISM OF GS-7340, A NOVEL PHENYL MONOPHOSPHORAMIDATE INTRACELLULAR PRODRUG OF PMPA, IN BLOOD (2001)

PMPA, an acyclic nucleoside phosphonate analog, is a potent inhibitor of HIV. In the cells, PMPA is efficiently phosphorylated by intracellular kinases to produce PMPApp, the pharmacologically active metabolite. Despite its demonstrated antiviral potency, PMPA has limited cell permeability presumably resulting from the presence of two negative charges on the phosphonyl group. To enhance intracellular concentrations of PMPA, we developed a prodrug, selectively metabolized inside cells. GS-7340 (9-[(R)-2-[[[[(S)-1-(isopropoxycarbonyl)ethyl] amino] phenoxy-phosphinyl]-methoxy] propyl] adenine) is a prodrug which is orally bioavailable in dogs as the intact prodrug and has demonstrated anti-HIV activity in cell culture of over 1000-fold greater than that of PMPA. The metabolism of PMPA in peripheral blood mononuclear cells (PBMC), red blood cells (RBC) and plasma was examined following exposure of whole blood to PMPA or GS-7340 at concentrations similar to ones observed systemically following oral administration in dogs. Following 1 hour incubation with whole blood, GS-7340 was stable in plasma, produced high levels of PMPA and its phosphorylated metabolites in PBMC but not in RBC. No intact prodrug was present in PBMC. The only other species present in PBMC was monoalaninyl PMPA. The levels of PMPA and the phosphorylated metabolites were over 20 times greater than those after incubation with PMPA. The dog and human blood data were similar. The intracellular levels of PMPA and PMPApp were roughly proportional to GS-7340 over a 10-fold concentration range indicating a lack of saturability of uptake and phosphorylation. Since PMPApp is the species responsible for antiviral activity of PMPA, the high intracellular levels of PMPApp should be an important indicator of greater clinical efficacy of GS-7340.
ENGRAVER BEETLES (SCOLYTIDAE: IPS SPECIES) AS VECTORS OF THE PITCH CANKER FUNGUS, FUSARIUM SUBGLUTINANS (1991)

Abstract Ips mexicanus (Hopkins) and I . paraconfusus Lanier can transmit a frugal pathogen that causes pitch canker [ Fusarium subglutinans (Wollenw, and Reink.) Nelson, Toussoun, andMarasas], a disease recently identified in Monterey pines ( Pirns radiata D. Don) in California. In Santa Cruz County, F . subglutinans was recovered from Ips spp. that emerged from pitch canker-in fee ted P . radiata and were captured in multiple-funnel traps baited with racemic Ips spp. pheromones. Ips paraconfusus adults experimentally contaminated with propagules of the fungus transmitted it to seedlings and mature pines. Field transmission was demonstrated when cankers were produced following pheromone-induced beetle attacks on pines. Ips spp. inoculated F . subglutinans into pine slash, thus creating reservoirs of this fungus. Larvae, pupae, and young adults acquired the fungus when their parents introduced it into logs. Ips spp. progeny production and development were not significantly altered by the fungus. In proximity to other bark beetle-associated fungi, growth of F . subglutinans was reduced and patchy. A new association may be developing among native Ips spp. and F . subglutinans .
A single mutation in poliovirus RNA-dependent RNA polymerase confers resistance to mutagenic nucleotide analogs via increased fidelity (2003)

Ribavirin is a nucleotide analog that can be incorporated by viral polymerases, causing mutations by allowing base mismatches. It is currently used therapeutically as an antiviral drug during hepatitis C virus infections. During the amplification of poliovirus genomic RNA or hepatitis C replicons, error frequency is known to increase upon ribavirin treatment. This observation has led to the hypothesis that ribavirin's antiviral activity results from error catastrophe caused by increased mutagenesis of viral genomes. Here, we describe the generation of ribavirin-resistant poliovirus by serial viral passage in the presence of increasing concentrations of the drug. Ribavirin resistance can be caused by a single amino acid change, G64S, in the viral polymerase in an unresolved portion of the fingers domain. Compared with wild-type virus, ribavirin-resistant poliovirus displays increased fidelity of RNA synthesis in the absence of ribavirin and increased survival both in the presence of ribavirin and another mutagen, 5-azacytidine. Ribavirin-resistant poliovirus represents an unusual class of viral drug resistance: resistance to a mutagen through increased fidelity.
A Splice Variant of E2–2 Basic Helix-Loop-Helix Protein Represses the Brain-specific Fibroblast Growth Factor 1 Promoter through the Binding to an Imperfect E-box (1998)

We previously demonstrated that a cis-element (-489 to -467) in the brain-specific fibroblast growth factor (FGF)-1 promoter (FGF-1.B) binds multiple nuclear factors, and this binding enhances transcriptional activity of this promoter. Here we report the isolation of three cDNA clones, VL1, VL2 and VL3, from a human brain stem cDNA expression library using four tandem repeats of the 26-base pair sequence (-492 to -467) as the probe. These cDNA clones represent the variant of bHLH protein E2-2/SEF2-1 in having 12 additional nucleotides encoding the amino acids RSRS. The glutathione S-transferase (GST) fusion proteins of VLl, VL2, and VL3 immunologically react with anti-E2-2 antibody and anti-GST-VL2 antibody. Electrophoretic mobility shift assay and methylation interference assay revealed that the GST fusion proteins specifically bind to an imperfect E-box sequence (GACCTG) present in the 26-base pair sequence. Transient expression of the full-length E2-2 without RSRS in U1240MG glioblastoma cells resulted in repression of FGF-1.B promoter activity. We further showed a significant repression of promoter activity (>40 fold) by E2-2 (lacking the amino acid sequence RSRS) when the E47 reporter construct, containing a hexameric E-box site, was used. In contrast, the E2-2 variant containing the RSRS sequence has no significant effect on either the FGF-1 promoter or E47 promoter. These results suggest that the relative abundance of the two splice variants of E2-2 in brain could be an important determinant for the expression of FGF-1.
Photophysical properties of cadmium sulfide in Nafion film (1984)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPhotophysical properties of cadmium sulfide in Nafion filmJ. P. Kuczynski, B. H. Milosavljevic, and J. K. ThomasCite this: J. Phys. Chem. 1984, 88, 5, 980–984Publication Date (Print):March 1, 1984Publication History Published online1 May 2002Published inissue 1 March 1984https://doi.org/10.1021/j150649a027RIGHTS & PERMISSIONSArticle Views300Altmetric-Citations95LEARN 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 InReddit PDF (620 KB) Get e-Alerts
Determination of Affinities for lck SH2 Binding Peptides Using a Sensitive Fluorescence Assay:  Comparison between the pYEEIP and pYQPQP Consensus Sequences Reveals Context-Dependent Binding Specificity (1996)

The development of a sensitive fluorescence binding assay for evaluating the binding of phosphotyrosyl (pY) peptides to the recombinant SH2 domain of lck in solution is described. Several fluorescent peptides containing the consensus sequence of the viral hamster polyoma middle T antigen (pYEEI) were characterized. The peptides contained either the acetamido-anilino-naphthyl sulfonic acid (AANS), acrylodan, or dansyl groups as fluorophores. The spectral features of these probes were characterized in the presence and absence of the lck SH2 domain. The binding affinities (Kd) for the fluorescent peptides studied ranged from 40 to 500 nM. The fluorescent peptide containing the sequence FTATEC(AANS)QpYEEIP exhibited the highest binding affinity (Kd = 3.98 x 10(-8) M) and largest change in emission intensity (approximately 8.7-fold) upon binding the SH2 domain. This probe was subsequently used in competitive binding assays to study the interaction of the lck SH2 domain with a series of phosphopeptides related to the pYEEIP and pYQPQP (the pY505 C-terminal) consensus sequences. The effects of peptide length and substitutions of residues within the pYEEIP sequence are discussed in terms of binding affinities. Comparison between the two peptide series revealed that the contributions of individual substitutions to binding affinity are context-dependent. The data also led to the conclusion that the presence of P at +2 results in a functional "truncation" of the binding sequence; i.e., residues at positions higher than +2 do not participate significantly in binding. This implicit truncation may actually be a desired property for the autoregulatory nature of the pYQPQP sequence, since it retains specificity for the SH2 domain while adjusting the Kd to a value appropriate for maintaining the delicate balance of receptor-ligand interactions that are involved in signal transduction events.