gebhart/patrepeval huggingface dataset:
Recent Advances in C–H Functionalization (2016)

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTRecent Advances in C–H FunctionalizationHuw M. L. Davies and Daniel MortonView Author Information Department of Chemistry, Emory UniversityCite this: J. Org. Chem. 2016, 81, 2, 343–350Publication Date (Web):January 15, 2016Publication History Published online15 January 2016Published inissue 15 January 2016https://pubs.acs.org/doi/10.1021/acs.joc.5b02818https://doi.org/10.1021/acs.joc.5b02818editorialACS PublicationsCopyright © 2016 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views42947Altmetric-Citations516LEARN 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 PDF (2 MB) Get e-AlertscloseSUBJECTS:Aromatic compounds,Catalysts,Chemical reactions,Functionalization,Selectivity Get e-Alerts
Molecular Recognition of Phosphate Esters: A Balance of Hydrogen Bonding and Proton Transfer Interactions (1992)

Abstract The interaction of different phosphate esters with a series of hydrogen bonding receptors has been studied using UV‐visible and NMR spectroscopies and X‐ray crystallography. Critical for binding is a combination of an acidic proton and the potential for bidentate hydrogen bonding either between charged or uncharged components. Phosphotriesters show no binding to the receptors. Phosphodiesters bind to both bis‐(2, 6–diacylaminopyridine) and mono‐(2, 6–diacylaminopyridine) receptors in chlorocarbon solvent via proton transfer to form the pyridinium phosphate ion pair and bidentate hydrogen bonding between the anion and the cation. Titration experiments as well as Job's analyses show that for cyclic and acyclic bis‐(2, 6–diacylaminopyridine) receptors 2 : 1 complexes can be formed. X‐ray crystal structures demonstrate that in the solid state two different binding arrangements are present; either a direct bidentate interaction or intramolecular hydrogen bonding with self‐assembly of an oligomeric structure. Phosphomonoesters bind to mono‐(2, 6–diacylaminopyridines) in a similar way to the diesters, via proton transfer and bidentate hydrogen bonding. In this, as in the diester case, only a single acid‐base interaction is possible and proton transfer is preferred. However, in the interaction of phosphomonoesters with bis‐(2, 6–diacylaminopyridine) derivatives two acid‐base interactions are possible between the two pyridines and two POH groups, and little proton transfer is seen. Strong binding ( K a = 1.0 × 10 5 M −1 ) occurs via tetrahydrogen bond formation. Thus, there appears to be a balance between the occurrence of proton transfer and the number of hydrogen bonds formed between receptor and substrate.
Using the Higher Education General Information Survey (1984)

Abstract Once a data base that appears suitable is located, considerable work must still be done to make it ready for analysis. In particular, one must learn as much as possible about the data elements. To illustrate the importance of this point, the HEGIS data base and its uses are discussed in detail.
Effect of Substrate Roughness and Feedstock Concentration on Growth of Wafer-Scale Graphene at Atmospheric Pressure (2011)

The growth of large-area graphene on catalytic metal substrates is a topic of both fundamental and technological interest. We have developed an atmospheric pressure chemical vapor deposition (CVD) method that is potentially more cost-effective and compatible with industrial production than approaches based on synthesis under high vacuum. Surface morphology of the catalytic Cu substrate and the concentration of carbon feedstock gas were found to be crucial factors in determining the homogeneity and electronic transport properties of the final graphene film. The use of an electropolished metal surface and low methane concentration enabled the growth of graphene samples with single layer content exceeding 95%. Field effect transistors fabricated from CVD graphene made with the optimized process had room temperature hole mobilities that are a factor of 2−5 larger than those measured for samples grown on as-purchased Cu foil with larger methane concentration. A kinetic model is proposed to explain the observed dependence of graphene growth on catalyst surface roughness and carbon source concentration.
New treatment options in spondyloarthropathies: increasing evidence for significant efficacy of anti–tumor necrosis factor therapy (2001)

Tumor necrosis factor-alpha is a major effector and regulatory cytokine, which seems to have an outstanding position in rheumatic and other inflammatory states. Because TNF-alpha has been detected in the inflamed gut and sacroiliac joints of patients with chronic inflammatory bowel diseases and spondyloarthritides, like ankylosing spondylitis, there was need for studies of the efficacy of the modern biologic anti-TNF agents infliximab and etanercept in these diseases. Infliximab is approved for the treatment of Crohn disease. In addition, there are now also positive data for infliximab in the treatment of ankylosing spondylitis and for etanercept and infliximab in the treatment of psoriatic arthritis.
TREATMENT OF PREMATURE EJACULATION WITH SERTRALINE HYDROCHLORIDE: A SINGLE-BLIND PLACEBO CONTROLLED CROSSOVER STUDY (1998)

Sertraline appears to be a useful agent in the pharmacological treatment of premature ejaculation.
Effects of Adsorption to Aluminum Salt Adjuvants on the Structure and Stability of Model Protein Antigens (2005)

The effect of adsorption onto aluminum salt adjuvants on the structure and stability of three model protein antigens was studied using fluorescence and Fourier transform infrared spectroscopies, as well as isothermal titration and differential scanning calorimetric techniques. Lysozyme was preferentially adsorbed to aluminum phosphate (Adju-Phos), whereas ovalbumin and bovine serum albumin were better adsorbed to aluminum hydroxide (Alhydrogel). A linearized Langmuir adsorption isotherm was used to obtain information regarding the binding interactions between proteins and adjuvants. Binding energetics and stoichiometry data obtained from isothermal titration calorimetry measurements were complex. Based on the spectroscopic and differential scanning calorimetry studies, the structure of all three proteins, when adsorbed to the surface of an aluminum salt, was altered in such a way as to render the proteins less thermally stable. Besides the pharmaceutical significance of this destabilization, we consider the possibility that this phenomenon may facilitate the presentation of antigens and thus contribute to the adjuvant activity of the aluminum salts.
Schiff's base as a stimuli-responsive linker in polymer chemistry (2012)

Schiff-base reactions are widely used in the field of chemistry. With many advantages, such as mild reaction conditions and high reaction rates, they were employed for protecting various functional groups and synthesizing a series of organic ligands. In polymer chemistry, they can serve as potential pH-responsive linkers in polymer chains because of their sensitive responses to changes in the pH value. With certain particular designs, the Schiff-base structure can cooperate with other reversible covalent bonds or supra-molecular interactions to form assemblies or gels, providing various functions and applications. This article aims to give a critical review of the recent literature on the Schiff-base reactions used in polymer chemistry and how they serve as a way of linking structures together. We will also cover some of the important developments on the functions and applications of these polymers.
NMR characterization of a heterocomplex formed by distamycin (Dst) and its analog 2-imidazole-distamycin (2 ImD) with d(CGCAAGTTGGC):d(GCCAACTTGCG): preference for the 1:1:1 2-ImD:Dst:DNA complex over the 2:1 2-ImD:DNA and the 2:1 Dst:DNA complexes (1993)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNMR characterization of a heterocomplex formed by distamycin (Dst) and its analog 2-imidazole-distamycin (2 ImD) with d(CGCAAGTTGGC):d(GCCAACTTGCG): preference for the 1:1:1 2-ImD:Dst:DNA complex over the 2:1 2-ImD:DNA and the 2:1 Dst:DNA complexesBernhard H. Geierstanger, Tammy J. Dwyer, Yadagiri Bathini, J. William Lown, and David E. WemmerCite this: J. Am. Chem. Soc. 1993, 115, 11, 4474–4482Publication Date (Print):June 1, 1993Publication History Published online1 May 2002Published inissue 1 June 1993https://pubs.acs.org/doi/10.1021/ja00064a009https://doi.org/10.1021/ja00064a009research-articleACS PublicationsRequest reuse permissionsArticle Views114Altmetric-Citations61LEARN 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-AlertscloseSupporting Info (2)»Supporting Information Supporting Information Get e-Alerts
PROTEIN PHOSPHATASES Structure and function of the protein tyrosine phosphatases (1996)

The tyrosine and dual-specificity phosphatases are involved in signaling, cell growth and differentiation, and the cell cycle. The enzymes share a common catalytic mechanism mediated by an active site cysteine, argi- nine and aspartic acid. Supplementary domains assist in targeting and substrate specificity.
Prediction of domain organisation and secondary structure of thyroid peroxidase, a human autoantigen involved in destructive thyroiditis (1990)

Organ specific autoimmune diseases are relatively common immunological disorders in man which include thyroid autoimmune disease, insulin-dependent diabetes mellitus and myasthenia gravis. The target autoantigens in some of these diseases have recently been characterised. In thyroid autoimmune disease this includes the key enzyme, thyroid peroxidase (TPO), which is involved in the generation of thyroid hormone. Structural knowledge about autoantigens such as thyroid peroxidase will allow a greater understanding of the interaction between autoantigens and the aberrant immune response, and facilitate the development of strategies for antigen-specific therapeutic manipulation. We report here a prediction of the secondary structure of thyroid peroxidase, together with the results of circular dichroic spectroscopy of a homologous purified enzyme. A combination of 3 secondary structure prediction programs has been used, following multiple sequence alignment, and TPO has been found to consist mainly of alpha-helical conformation, with little beta-sheet present. This structure prediction, together with knowledge of the exon-intron boundaries allows a model for the domain organisation of the TPO molecule to be proposed.
Calorie restriction lowers body temperature in rhesus monkeys, consistent with a postulated anti-aging mechanism in rodents. (1996)

Many studies of caloric restriction (CR) in rodents and lower animals indicate that this nutritional manipulation retards aging processes, as evidenced by increased longevity, reduced pathology, and maintenance of physiological function in a more youthful state. The anti-aging effects of CR are believed to relate, at least in part, to changes in energy metabolism. We are attempting to determine whether similar effects occur in response to CR in nonhuman primates. Core (rectal) body temperature decreased progressively with age from 2 to 30 years in rhesus monkeys fed ad lib (controls) and is reduced by approximately 0.5 degrees C in age-matched monkeys subjected to 6 years of a 30% reduction in caloric intake. A short-term (1 month) 30% restriction of 2.5-year-old monkeys lowered subcutaneous body temperature by 1.0 degrees C. Indirect calorimetry showed that 24-hr energy expenditure was reduced by approximately 24% during short-term CR. The temporal association between reduced body temperature and energy expenditure suggests that reductions in body temperature relate to the induction of an energy conservation mechanism during CR. These reductions in body temperature and energy expenditure are consistent with findings in rodent studies in which aging rate was retarded by CR, now strengthening the possibility that CR may exert beneficial effects in primates analogous to those observed in rodents.
The MAPK signaling cascade. (1995)

The transmission of extracellular signals into their intracellular targets is mediated by a network of interacting proteins that regulate a large number of cellular processes. Cumulative efforts from many laboratories over the past decade have allowed the elucidation of one such signaling mechanism, which involves activations of several membranal signaling molecules followed by a sequential stimulation of several cytoplasmic protein kinases collectively known as mitogen-activated protein kinase (MAPK) signaling cascade. Up to six tiers in this cascade contribute to the amplification and specificity of the transmitted signals that eventually activate several regulatory molecules in the cytoplasm and in the nucleus to initiate cellular processes such as proliferation, differentiation, and development. Moreover, because many oncogenes have been shown to encode proteins that transmit mitogenic signals upstream of this cascade, the MAPK pathway provides a simple unifying explanation for the mechanism of action of most, if not all, nonnuclear oncogenes. The pattern of MAPK cascade is not restricted to growth factor signaling and it is now known that signaling pathways initiated by phorbol esters, ionophors, heat shock, and ligands for seven transmembrane receptors use distinct MAPK cascades with little or no cross-reactivity between them. In this review we emphasize primarily the first MAPK cascade to be discovered that uses the MEK and ERK isoforms and describe their involvement in different cellular processes.
Green Fluorescent Protein as a Marker for Gene Expression (1994)

A complementary DNA for the Aequorea victoria green fluorescent protein (GFP) produces a fluorescent product when expressed in prokaryotic (Escherichia coli) or eukaryotic (Caenorhabditis elegans) cells. Because exogenous substrates and cofactors are not required for this fluorescence, GFP expression can be used to monitor gene expression and protein localization in living organisms.
Thermostable enzymes in organic synthesis. 2. Asymmetric reduction of ketones with alcohol dehydrogenase from Thermoanaerobium brockii (1986)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThermostable enzymes in organic synthesis. 2. Asymmetric reduction of ketones with alcohol dehydrogenase from Thermoanaerobium brockiiEhud. Keinan, Eva K. Hafeli, Kamal K. Seth, and Raphael. LamedCite this: J. Am. Chem. Soc. 1986, 108, 1, 162–169Publication Date (Print):January 1, 1986Publication History Published online1 May 2002Published inissue 1 January 1986https://pubs.acs.org/doi/10.1021/ja00261a026https://doi.org/10.1021/ja00261a026research-articleACS PublicationsRequest reuse permissionsArticle Views1620Altmetric-Citations255LEARN 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
Achiral swallow-tailed materials with ‘antiferroelectric-like’ structure and their potential use in antiferroelectric mixtures (1996)

Abstract Achiral ‘swallow-tailed’ liquid crystalline materials are known to give alternating-tilt smectic C phases (SCalt) which have structural similarities to the chiral antiferroelectric phases denoted as S∗CA. This paper describes the synthesis and characterization of three achiral branchedalkyl 4-(4′-dodecyloxybiphenyl-4-carbonyloxy)-3-fluorobenzoates. Optical microscopy and differential scanning calorimetry confirm that these materials show SCalt and overlying SA phases. The compounds were investigated as potential hosts which could be doped with a chiral ferroelectric liquid crystal so as to provide a viable- antiferroelectric mixture. These studies (microscopy and differential scanning calorimetry), to characterize the properties of the mixtures, show that antiferroelectric phases are induced. However, switching studies show that the antiferroelectric phases are extremely stable, a property which is almost certainly a consequence of the length of the lateral branching groups (ethyl, propyl and butyl).
Plasminogen activation in melanocytic neoplasia. (1994)

A large body of experimental evidence suggests that plasminogen activators provide tumoral cells with efficient means to degrade extracellular matrix constituents and thereby facilitate their dissemination to distant sites. Melanocytic neoplasia encompass a spectrum of lesions exhibiting diverse clinical behavior that remain difficult to predict with current histopathological evaluations. Little information concerning the contribution of plasminogen activation in diagnostic specimens of human melanocytic tumors is presently available. We thus analyzed biopsy specimens of pigmented skin lesions by histological techniques that identify the cellular sites of synthesis of plasminogen activators and of their inhibitors and that localize the sites of plasminogen activators-catalyzed enzymatic activities. We found that urokinase-type plasminogen activators (uPA) and plasminogen activator inhibitor type 1 mRNAs accumulate in atypical nevocytes and in melanoma cells, but not in benign nevocytes. However, uPA-catalyzed proteolytic activity was detected exclusively in melanomas. These observations suggest that up-regulation of the uPA gene is an early feature of melanocyte transformation and that unbalanced enzyme/inhibitor activity is associated with the malignant phenotype. By supporting a role for uPA in melanoma invasiveness, they provide a novel tool for the evaluation of atypia in nevi.
Multicarrier 16QAM transmission with diversity reception (1996)

A 96 multicarrier 16QAM transmitter and a diversity receiver for 3.072 Mbit/s data transmission are described. Pilot symbol aided (PSA) coherent detection is applied. A laboratory experiment demonstrates that an irreducible bit error rate (BER) of 10-3 can be achieved at the RMS delay spread τrms = 6.3 µs under frequency selective Rayleigh fading when two branch maximal ratio combining (MRC) diversity is used.
p-Nitrophenoxycarbonyl derivatives of Boc-protected diaminoalkanes in the synthesis of enkephalin peptidomimetics (2005)

The synthesis of p-nitrophenoxycarbonyl derivatives of 1-Boc-1,2-diaminoethane, 1-Boc-1,3-diaminopropane and 1-Boc-1,4-diaminobutane is described. These derivatives were used to synthesize five peptidomimetics, analogues of enkephalin, containing alkylurea units inside the peptide chain and at the C-terminal. All syntheses were carried out in solid phase on MBHA resin. Peptidomimetics with alkylurea units inserted into the peptide chain were synthesized using the standard method employing the Boc-strategy, with TFA deprotection and HF cleavage. The analogue containing a C-terminal alkylurea unit was synthesized using the Boc-strategy, with HCl/dioxane deprotection and TFA cleavage. All of the analogues were examined for opioid activity in GPI and MVD assays. The activity of the analogue containing a C-terminal alkylurea unit was comparable to that of [Leu5]-enkephalin, while the other analogues were less active.
Sequential Data Compression of Very Large Data in Volume Rendering. (2007)

Improving rendering speed in the visualization of very large volumetric data without loss of information is still a challenge. State of the art methods focus on data reduction by omitting content which does not contribute to the final image. In order to further decrease the amount of data, we present a general approach for applying common sequential data compression schemes to blocks of data, which can be decoded on-the-fly by the graphics processing unit (GPU) in a single render pass. Subsequently, the block can be rendered with common axis-aligned texture based rendering techniques. For our implementation, we use Huffman coding as compression scheme utilizing the capabilities of modern graphics hardware to implement the decoding step in a fragment shader. As a result of our approach, up to 3.2 times more data can be transmitted to or held in texture memory of graphics hardware without loss of information.