gebhart/patrepeval huggingface dataset:
Catalytic synthesis of amines : from small molecules to nitrogen-containing polymers (2018)

The research presented in this thesis highlights the utility of N,O-chelated complexes of early transition metals for the catalytic synthesis of amines. Two atom economic transformations to make carbon-carbon and carbon-nitrogen bonds, hydroaminoalkylation and hydroamination, were investigated. A significant expansion of the substrate scope of a pre-established catalytic system is presented, and a variety of novel titanium precatalysts were developed and screened for catalytic activity. The products of hydroaminoalkylation were employed as monomers for ring-opening metathesis polymerization using known ruthenium-based catalysts. These amine-containing polymers show interesting rheological behavior attributed to the presence of hydrogen bonding interactions. The substrate scope of a previously reported tantalum phosphoramidate complex capable of room temperature reactivity was expanded to include a solvent-free protocol. This methodology was shown to afford amine products in comparable or greater yields than the related diluted reactions. Titanium metal was investigated as an alternative to tantalum-based precatalysts. A family of mono-, di-, and tri-substituted phosphoramidate complexes was presented, with mono-phosphoramidates outperforming the others in the catalytic synthesis of amines, despite being susceptible to unwanted ligand redistribution reactions. The selective mono-alkylation of cyclic diene substrates was shown to generate strained alkene products suitable for use in ring-opening metathesis polymerization. Despite having unsaturated, Lewis-basic moieties, these monomers were polymerized to generate a variety of viscoelastic homopolymers bearing substituted aryl-amines with tunable hydrogen bonding potential. Thermal and rheological analysis revealed behaviours characteristic of hydrogen bonding, such as increased glass transition temperatures, and viscosity dependent on molecular weight and amine substitution. An expansion of the monomers amenable to polymerization was presented, and a variety of copolymeric structures were synthesized. Efforts focused on pairing amine-containing monomers with those of commodity plastics, such as norbornene. Excellent control over monomer incorporation was achieved in most cases. Preliminary investigations into useful applications of these novel polymers were presented and include anti-microbial materials, agents for sequestering metal ions, and compatibilizers for polymer blends. These preliminary experimental results show promise and future efforts will focus on realizing the full potential of these unique materials.
Modified vaccinia Ankara‐expressing Ag85A, a novel tuberculosis vaccine, is safe in adolescents and children, and induces polyfunctional CD4+ T cells (2009)

Modified vaccinia Ankara-expressing Ag85A (MVA85A) is a new tuberculosis (TB) vaccine aimed at enhancing immunity induced by BCG. We investigated the safety and immunogenicity of MVA85A in healthy adolescents and children from a TB endemic region, who received BCG at birth. Twelve adolescents and 24 children were vaccinated and followed up for 12 or 6 months, respectively. Adverse events were documented and vaccine-induced immune responses assessed by IFN-gamma ELISpot and intracellular cytokine staining. The vaccine was well tolerated and there were no vaccine-related serious adverse events. MVA85A induced potent and durable T-cell responses. Multiple CD4+ T-cell subsets, based on expression of IFN-gamma, TNF-alpha, IL-2, IL-17 and GM-CSF, were induced. Polyfunctional CD4+ T cells co-expressing IFN-gamma, TNF-alpha and IL-2 dominated the response in both age groups. A novel CD4+ cell subset co-expressing these three Th1 cytokines and IL-17 was induced in adolescents, while a novel CD4+ T-cell subset co-expressing Th1 cytokines and GM-CSF was induced in children. Ag-specific CD8+ T cells were not detected. We conclude that in adolescents and children MVA85A safely induces the type of immunity thought to be important in protection against TB. This includes induction of novel Th1-cell populations that have not been previously described in humans.
Pulsed deposition of silicate films (2003)

A sequential pulsed process is utilized for deposition of nonstoichiometric silicate films without employing an oxidizing agent. The metal precursors were HfCl4, AlCl3, and ZrCl4, as well as Hf(NO3)4 and the silicon source was tris(tert-butoxy)silanol. Unlike atomic layer deposition, the growth per cycle was several monolayers thick, where the enhancement in growth was due to a catalytic reaction. The bulk and electrical properties of these films are similar to those of silicon dioxide. Silicon carbide devices coated with these films show good insulating characteristics.
Conformational differences between the Pfr and Pr states in Pseudomonas aeruginosa bacteriophytochrome (2009)

Phytochromes are red-light photoreceptors that regulate light responses in plants, fungi, and bacteria by means of reversible photoconversion between red (Pr) and far-red (Pfr) light-absorbing states. Here, we report the crystal structure of the Q188L mutant of Pseudomonas aeruginosa bacteriophytochrome (PaBphP) photosensory core module, which exhibits altered photoconversion behavior and different crystal packing from wild type. We observe two distinct chromophore conformations in the Q188L crystal structure that we identify with the Pfr and Pr states. The Pr/Pfr compositions, varying from crystal to crystal, seem to correlate with light conditions under which the Q188L crystals are cryoprotected. We also compare all known Pr and Pfr structures. Using site-directed mutagenesis, we identify residues that are involved in stabilizing the 15Ea (Pfr) and 15Za (Pr) configurations of the biliverdin chromophore. Specifically, Ser-261 appears to be essential to form a stable Pr state in PaBphP, possibly by means of its interaction with the propionate group of ring C. We propose a "flip-and-rotate" model that summarizes the major conformational differences between the Pr and Pfr states of the chromophore and its binding pocket.
Short Pigment Epithelial-Derived Factor-Derived Peptide Inhibits Angiogenesis and Tumor Growth (2009)

P18 is a novel and potent antiangiogenic biotherapeutic agent that has potential to be developed for the treatment of prostate and renal cancer.
Allergic disease as an association of steroid sulphatase deficiency (1997)

Ten of 31 patients with steroid sulphatase (STS) deficiency were found to have an allergic disease (bronchial asthma, allergic rhinitis, or atopic dermatitis). STS deficiency may predispose patients to allergic disease.
Document Context Language Models (2015)

Text documents are structured on multiple levels of detail: individual words are related by syntax, but larger units of text are related by discourse structure. Existing language models generally fail to account for discourse structure, but it is crucial if we are to have language models that reward coherence and generate coherent texts. We present and empirically evaluate a set of multi-level recurrent neural network language models, called Document-Context Language Models (DCLM), which incorporate contextual information both within and beyond the sentence. In comparison with word-level recurrent neural network language models, the DCLM models obtain slightly better predictive likelihoods, and considerably better assessments of document coherence.
SiO2 Nanoparticle Sequestration via Reactive Functionalization in Holographic Polymer‐Dispersed Liquid Crystals (2009)

Holographic photopolymerization of reactively functionalized silica nanoparticles in polymer/liquid-crystal systems leads to sequestration of the silica nanoparticles in the polymeric domain of holographic polymer-dispersed liquid-crystals Bragg gratings. Excellent dispersion of the nanoparticles maintains the optical properties of the reflection grating without additional scattering while lowering the voltage necessary to switch the state of the grating. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
Agonist and Antagonists Induce Homodimerization and Mixed Ligand Heterodimerization of Human Progesterone Receptors in Vivo by a Mammalian Two-Hybrid Assay (1998)

This study utilizes the mammalian two-hybrid system to examine the role of ligand in the dimerization of human progesterone receptor (hPR). The GAL4 DNA-binding domain and the herpes simplex virus VP16 transactivation domain were fused to the amino terminus of full-length hPR (both the A and B isoforms) to produce chimeric proteins. PR dimerization was detected by the ability of cotransfected GAL4/PR and VP16/PR chimeras in COS cells to induce expression of a reporter gene under the control of GAL4-binding sites (pG5CAT). Hormone agonist-dependent interactions were observed between the two like isoforms of PR (A-A and B-B) and between PR-A and PR-B (A-B), indicating that hormone can stimulate the formation of the three possible dimeric forms of PR within cells. In contrast, neither type I (ZK98299) nor type II (RU486, ZK112993) progestin antagonists stimulated interaction between these same hybrid PR proteins. However, activation of the VP16/PR chimera by antagonists on a progesterone response element-controlled reporter gene (DHRE-E1b-CAT) was only a fraction (4-13%) of that stimulated by agonist R5020. One possibility for the failure to detect an induction in the two-hybrid assay is antagonist-induced repression of the activity of the VP16/PR fusion protein rather than a failure of antagonists to stimulate interaction between the hybrid proteins. To test this idea, an UP-1 carboxyl-terminal truncation mutant of PR was used to construct the two-hybrid proteins. PR-UP-1 selectively binds antagonists, but not agonists, and is fully activated in response to antagonists. Both types of progestin antagonists stimulated interactions between GAL4/PR(UP-1) and VP16/PR(UP-1) hybrid proteins, indicating that antagonists are capable of stimulating PR dimerization in cells and do not function by disrupting or preventing dimerization. To determine whether PR bound to an antagonist can dimerize in whole cells with PR bound to agonist, GAL4/PR(UP-1) was paired in the two-hybrid assay with a VP16/PR fusion protein harboring a point mutation in PR at amino acid 722 (Gly-Cys) that specifically binds progestin agonist but not antagonist. Neither R5020 nor RU486 alone stimulated interaction between these ligand-specific PR hybrid proteins. However, strong interaction was detected by addition of both agonist and antagonists, indicating the formation of mixed ligand heterodimers and that both PR partners require ligand for dimerization to occur. Based on electrophoretic gel mobility shift assays (EMSAs), these heterodimers appear to have substantially reduced DNA binding activity. Progestin antagonists inhibit agonist activation of PR at concentrations that are too low to be accounted for by a simple competition mechanism for binding to PR. We propose that antiprogestin inactivation of PR in trans by heterodimerization contributes to the biological potency of these compounds.
Revising B Cell Receptors (2000)

B cell development is often portrayed as a series of decision points that expand an antigen-reactive cell to a clone producing a single antibody. This is hardly the case: B cell development is dependent on a series of error-prone, random rearrangement events that through ongoing diversification
POSS along the Hard Segments of Polyurethane. Phase Separation and Molecular Dynamics (2013)

We report for the first time on a polyurethane system with polyhedral oligomeric silsesquioxanne (POSS) particles chemically bonded along its main chain as nanobuilding blocks. Morphology and molecular dynamics of this novel system are studied with imaging (SEM), thermal (DSC, MDSC) dielectric (TSDC, DRS), and mechanical (DMA) techniques. Two distinct phases occur: one chain extended with POSS and one with chemistry and morphology similar to the matrix. Although Tg remains practically unaffected upon incorporation of particles, a relaxation α′ slower than the main dynamic glass transition α and present also in the matrix is enhanced in the presence of POSS. We attribute it to decelerated dynamics in the presence of heavy moieties like particles and rigid hard microdomains. No effect on the time scale of these relaxations is imposed by the presence of POSS, but rubbery modulus is significantly reduced due to the soft POSS-extended phase.
Reduced expression of preproenkephalin in striatal neurons from huntington's disease patients (1995)

Differential loss of neurons and terminals occurs in Huntington's disease. Neurons expressing preproenkephalin (PPE) appear to be more vulnerable than neurons expressing preprotachykinin and terminals in the lateral pallidum (containing enkephalin) are more affected than terminals in the medial pallidum (containing substance P). We used in situ hybridization histochemistry and emulsion autoradiography to quantify the number of PPE expressing neurons and the neuronal levels of PPE mRNA in striatum of individuals who died with Huntington's disease and normal controls. We found a grade-related decline in the number of PPE-labeled neurons per field in the striatum of individuals with Huntington's disease compared with controls. Three measures of the neuronal level of PPE mRNA, the mean number of silver grains per PPE neuron, the median number of grains per PPE neuron, and the percentage of PPE neurons with more than 30 grains, were all significantly reduced (41 to 80% of control) in Huntington's disease striatum. The magnitude of the reduction in levels of PPE mRNA per neuron was related to the grade of lesions. These data support the notion that decreased levels of PPE mRNA may account, in part, for the greater loss of enkephalin staining in lateral pallidal terminals compared with substance P staining in medial pallidal terminals. Decreased levels of PPE mRNA may result in clinical symptoms prior to the loss of neurons. The reduction in expression of PPE mRNA suggests that surviving striatal neurons may be affected by the expression of the Huntington's disease gene prior to their imminent cell death.
Iodinated Nanoscale Coordination Polymers as Potential Contrast Agents for Computed Tomography (2009)

Nanoscale coordination polymers (NCPs), prepared with metal ions and an iodinated ligand, were synthesized using reverse-phase microemulsion techniques and rapid precipitation procedures. The NCPs carry high payloads of iodine (ca. 63 wt %) and have potential applications as a new class of contrast agents for computed tomography (CT), as demonstrated by phantom studies (see figure). Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
Novel inhibitors of poly(ADP-ribose) synthetase (1980)

In a search for new inhibitors of the nuclear enzyme poly(ADP-ribose) synthetase, it was found that various benzamides substituted in the 3-position were the most inhibitory compounds found to date. Two of the benzamides, 3-aminobenzamide and 3-methoxybenzamide, were found to be competitive inhibitors, with Ki values or less than 2 microM.
Antiviral activity and toxicity of fialuridine in the woodchuck model of hepatitis B virus infection (1998)

Woodchucks were used to study the antiviral activity and toxicity of fialuridine (FIAU; 1,-2'deoxy-2'fluoro-1-beta-D-arabinofuranosyl-5-iodo-uracil). In an initial experiment, groups of six chronic woodchuck hepatitis virus (WHV) carrier woodchucks received daily doses of FIAU by intraperitoneal injection for 4 weeks. At 0.3 mg/kg/d, the antiviral effect was equivocal, but at 1.5 mg/kg/d, FIAU had significant antiviral activity. No evidence of drug toxicity was observed during the 4-week period of treatment or during posttreatment follow-up. In a second experiment, groups of nine WHV carriers or uninfected woodchucks were given 1.5 mg/kg/d of FIAU orally for 12 weeks, and the results compared with placebo-treated controls. After 4 weeks, the serum WHV-DNA concentration in the FIAU-treated carrier group was two to three logs lower than that in the placebo-treated group. After 12 weeks of FIAU treatment, serum WHV DNA was not detectable by conventional dot-blot analysis, hepatic WHV-DNA replicative intermediates (RI) had decreased 100-fold, and hepatic expression of WHV core antigen was remarkably decreased. No evidence of toxicity was observed after 4 weeks, but, after 6 to 7 weeks, food intake decreased and, after 8 weeks, the mean body weights of woodchucks treated with FIAU were significantly lower than controls. Anorexia, weight loss, muscle wasting, and lethargy became progressively severe, and all FIAU-treated woodchucks died or were euthanized 78 to 111 days after treatment began. Hepatic insufficiency (hyperbilirubinemia, decreased serum fibrinogen, elevated prothrombin time), lactic acidosis, and hepatic steatosis were characteristic findings in the final stages of FIAU toxicity in woodchucks. The syndrome of delayed toxicity in woodchucks was similar to that observed previously in humans treated with FIAU, suggesting that the woodchuck should be valuable in future investigations of the molecular mechanisms of FIAU toxicity in vivo and for preclinical toxicological evaluation of other nucleoside analogs before use in patients.
Pyridyl-aryloxy Alkamine Ethers as Histamine Antagonists1 (1951)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPyridyl-aryloxy Alkamine Ethers as Histamine Antagonists1Domenick Papa, Nathan Sperber, and Margaret SherlockCite this: J. Am. Chem. Soc. 1951, 73, 3, 1279–1280Publication Date (Print):March 1, 1951Publication History Published online1 May 2002Published inissue 1 March 1951https://pubs.acs.org/doi/10.1021/ja01147a120https://doi.org/10.1021/ja01147a120research-articleACS PublicationsRequest reuse permissionsArticle Views106Altmetric-Citations31LEARN 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
Ions in hyaluronic acid solutions (2009)

Hyaluronic acid (HA) is an anionic biopolymer that is almost ubiquitous in biological tissues. An attempt is made to determine the dominant features that account for both its abundance and its multifunctional role, and which set it apart from other types of biopolymers. A combination of osmotic and scattering techniques is employed to quantify its dynamic and static properties in near-physiological solution conditions, where it is exposed both to mono- and divalent counterions. An equation of state is derived for the osmotic pressure Pi in the semidilute concentration region, in terms of two variables, the polymer concentration c and the ionic strength J of the added salt, according to which Pi=1.4x10(3)c(9/4)/J(3/4) kPa, where c and J are expressed in mole. Over the physiological ion concentration range, the effect of the sodium chloride and calcium chloride on the osmotic properties of HA solutions is fully accounted for by their contributions to the ionic strength. The absence of precipitation, even at high CaCl(2) concentrations, distinguishes this molecule from other biopolymers such as DNA. Dynamic light scattering measurements reveal that the collective diffusion coefficient in HA solutions exceeds that in aqueous solutions of typical neutral polymers by a factor of approximately 5. This property ensures rapid adjustment to, and recovery from, stress applied to HA-containing tissue. Small angle x-ray scattering measurements confirm the absence of appreciable structural reorganization over the observed length scale range 10-1000 A, as a result of calcium-sodium ion exchange. The scattered intensity in the transfer momentum range q>0.03 A(-1) varies as 1/q, indicating that the HA chain segments in semidilute solutions are linear over an extended concentration range. The osmotic compression modulus c partial differential Pi/partial differential c, a high value of which is a prerequisite in structural biopolymers, is several times greater than in typical neutral polymer solutions.
Vitamin D3 is a potent inhibitor of tumor cell-induced angiogenesis. (1996)

Vitamin D3 derivative 1,25-dihydroxyvitamin D3 (1,25[OH]2D3) exerts various biological effects in cells that possess vitamin D3 receptor (VDR), including enhancement of cell differentiation and inhibition of cell proliferation. These activities of 1,25(OH)2D3 might be responsible for its anti-neoplastic effects, as shown in various experimental systems. The aim of this study was to compare the anti-angiogenic activity of 1,25(OH)2D3, retinoids, and interleukin-12 (IL-12) in an experimental tumor cell-induced angiogenesis assay in mice. Tumor cell-induced angiogenesis assay was performed in x-ray immunosuppressed BALB/c mice by intradermal injections of human tumor cell lines of different origin. The injections resulted within 3 d in a local formation of new blood vessels, and the intensity of angiogenesis correlated with the number of injected cells. Systemic treatment of the mouse recipients with 1,25(OH)2D3 significantly decreased angiogenesis, comparable to the effect of retinoids (all-trans retinoic acid [RA], 9-cis RA and 13-cis RA) and of IL-12. In vitro preincubation of the cells with all compounds (except IL-12) led to the inhibition of their angiogenic capability in vivo. Moreover, combination of 1,25(OH)2D3 and retinoids resulted in a synergistic inhibition of angiogenesis. The results strongly suggest that anti-angiogenic compounds with relatively low toxicity (e.g., 1,25(OH)2D3, retinoids, and IL-12) and their combinations could be beneficial in the treatment of some angiogenesis-associated malignancies.