gebhart/patrepeval huggingface dataset:
Cationic polyene cyclizations. A computer assisted synthesis approach (1993)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCationic polyene cyclizations. A computer assisted synthesis approachJan Willem Boiten, Jan H. Noordik, and Marinus B. GroenCite this: J. Chem. Inf. Comput. Sci. 1993, 33, 5, 727–735Publication Date (Print):September 1, 1993Publication History Published online1 May 2002Published inissue 1 September 1993https://pubs.acs.org/doi/10.1021/ci00015a011https://doi.org/10.1021/ci00015a011research-articleACS PublicationsRequest reuse permissionsArticle Views85Altmetric-Citations3LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access options Get e-Alerts
Thermal stability and desorption of Group III nitrides prepared by metal organic chemical vapor deposition (1996)

We present results on the thermal stability as well as the thermally induced hydrogen, hydrocarbon, and nitrogen–hydrogen effusion from thin films of Group III nitrides prepared by low-pressure chemical vapor deposition from organometallic precursors. We have deposited amorphous, polycrystalline, and epitaxial InN, GaN, and AIN films on (0001) Al2O3 substrates using the chemical reaction of azido[bis(3-dimethylamino)propyl]indium, triethylgallium, and tritertiarybutylaluminium with ammonia. The substrate temperature was varied between 400 °C and 1100 °C. The elemental composition, in particular its dependence on the growth temperature, was investigated by elastic recoil detection analysis (ERDA). The influence of growth rate and crystallite size on the concentration of surface adsorbed hydrocarbons and carbon oxides is determined by a combination of ERDA and thermal desorption measurements. In addition, the stability of and the nitrogen flux from the InN, GaN, and AIN surfaces was determined by x-ray diffraction and thermal decomposition experiments.
Mg-MOF-74@SBA-15 hybrids: Synthesis, characterization, and adsorption properties (2014)

Nanocrystals of Mg-MOF-74 have been immobilized into the mesopores of SBA-15 rods to fabricate Mg-MOF-74@SBA-15 hybrid materials. To furnish such composites, a relatively simple synthetic strategy has been adopted by direct dispersion of the metal-organic framework (MOF) precursors in SBA-15 matrix to prepare the hybrid materials in situ. The hybrid materials have been characterized using powder X-ray diffraction and several spectroscopic and microscopic techniques, which suggest growth of the MOF nanocrystals inside the SBA-15 mesopores and the composites exhibit characteristics of both the components. N2 adsorption isotherms at 77 K reveal that the composites contain additional mesopores, compared to only micropores of pristine MOF nanocrystals. In addition to such combination of both micro and mesoporosity, the composites also demonstrate significant CO2 adsorption at room temperature.
MHC class II antigen expression in normal human epidermis. (1986)

Monoclonal antibodies consistently demonstrated the presence of MHC class II antigens (HLA-DR,-DP and -DQ) on keratinocytes in normal human epidermis. Reactivity was normally greatest on the keratinocytes of the intraepidermal portion of sweat ducts or the external root sheath of hair follicles, but staining was noted on the surface of some interappendageal keratinocytes in most subjects. The patterns were varied but distinctive and depended on the antibody used. The functional importance of the MHC class II antigens expressed on normal keratinocytes remains to be investigated.
Metallothioneins:  Zinc, Cadmium, Mercury, and Copper Thiolates and Selenolates Mimicking Protein Active Site Features − Structural Aspects and Biological Implications (2004)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMetallothioneins: Zinc, Cadmium, Mercury, and Copper Thiolates and Selenolates Mimicking Protein Active Site Features − Structural Aspects and Biological ImplicationsGerald Henkel and Bernt KrebsView Author Information Department Chemie, Universität Paderborn, Warburger Strasse 100, 33098 Paderborn, Germany, and Institut für Anorganische und Analytische Chemie, Universität Münster, Wilhelm-Klemm-Strasse 8, 48149 Münster, Germany Cite this: Chem. Rev. 2004, 104, 2, 801–824Publication Date (Web):January 28, 2004Publication History Received22 September 2003Published online28 January 2004Published inissue 1 February 2004https://pubs.acs.org/doi/10.1021/cr020620dhttps://doi.org/10.1021/cr020620dresearch-articleACS PublicationsCopyright © 2004 American Chemical SocietyRequest reuse permissionsArticle Views3325Altmetric-Citations348LEARN 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 SUBJECTS:Anions,Mercury,Metal clusters,Metals,Sulfur Get e-Alerts
Stimulus-Secretion Coupling of Glucose-Induced InsulinRelease (1983)

Pancreatic islets can be viewed as a fuel-sensor organ. The amount of ATP used by the islet cells for the maintenance of adequate Ca2+ gradients across membranes is not known. An indirect approach to this issue consists in the measurement of Ca-ATPase activity. The kinetics of Ca-ATPase in islet homogenates yielded a Km for ATP close to 0.1 mM and two Km values for Ca2+ close to 0.13 and 4-6 microM, respectively. Within limits, the Ca-ATPase appeared as a distinct entity from Mg-ATPase. Several divalent cations, including Mg2+, inhibited the Ca-ATPase activity. Calmodulin also inhibited, significantly albeit modestly Ca-ATPase. The activity of the enzyme was increased at high pH or in the presence of bicarbonate. The reaction velocity at close-to-physiological concentrations of ATP, Ca2+ and H+ suggests that the consumption of ATP by the Ca-ATPase may account for a major fraction of the overall rate of ATP breakdown in intact islets.
A Unified Mechanistic View on the Morita−Baylis−Hillman Reaction: Computational and Experimental Investigations (2010)

The thermodynamic properties and reaction mechanism of the Morita-Baylis-Hillman (MBH) reaction have been investigated through experimental and computational techniques. The impossibility to accelerate this synthetically valuable transformation by increasing the reaction temperature has been rationalized by variable-temperature experiments and MP2 theoretical calculations of the reaction thermodynamics. An increase in temperature results in a switching of the equilibrium to the reactants occurring at even moderate temperature levels. The complex reaction mechanism for the MBH reaction has been investigated through an in-depth analysis of the suggested alternative pathways, using the M06-2X computational method. The results provided by this theoretical approach are in agreement with all the experimental/kinetic evidence such as reaction order, acceleration by protic species (methanol, phenol), and autocatalysis. In particular, the existing controversy about the character of the key proton transfer in the MBH reaction (Aggarwal versus McQuade pathways) has been resolved. Depending on the specific reaction conditions both suggested pathways are competing mechanisms, and depending on the amount of protic species and the reaction progress (early or late stage) either of the two mechanisms will be favored.
Modeling of streaming potential responses caused by oil well pumping (1994)

Abstract The occurrence of streaming potentials is directly related to movement of fluids in the subsurface. To investigate whether streaming potential measurements in boreholes and at the surface can be used to monitor subsurface flow and detect subsurface flow patterns in oil reservoirs, we model streaming potential responses caused by oil well pumping in monitoring wells and at the earth's surface. Since the model parameters: permeabilities, cross-coupling properties, and electric conductivities depend on a few basic rock-physics parameters such as brine conductivity, amount of water saturation, and porosity, the model parameters are evaluated self-consistently using rock-physics models. Using a threedimensional, (3-D) finite-difference algorithm, the governing differential equations that are drawn from nonequilibrium thermodynamics are solved numerically in three self-consistent steps: solution of the hydraulic problem, computation of the streaming current sources based on the principle of conservation of charge, and solution of the resistivity problem. For simple models of oil reservoirs at shallow depth between 325 m and 500 m, we assume a total production rate of 500 bbl/day for all phases (gas/water or oil/water), a porosity of 0.2 in the reservoir, brine conductivities in the range of 0.3 S/m to 1.0 S/m, and water saturations in the range of 0.7 to 1.0. Maximum values of the computed streaming potential response are less than 0.6 mV at the surface and less than 9 mV in the monitoring wells. The streaming potential response depends on brine conductivity, conductivity structure, well casing, and reservoir dimensions and decreases rapidly with distance from the production well. The parameterization of the models establishes bounds for the expected streaming potential response that varies by approximately one order of magnitude. Because of the ac nature of pumping processes, signal stacking could perhaps be used to make the expected small signals discernible. Our models are mainly limited by poor knowledge of in-situ, cross-coupling properties.
Detection and localization of renin messenger RNA in human pathologic tissues using in situ hybridization. (1988)

In order to investigate the synthesis of renin in human pathologic tissues, the authors used in situ hybridization to detect and localize renin messenger RNA (mRNA). The probe was a 35S-radiolabeled 1.1-kb length complementary DNA of human renal renin. To compare the synthesis with the presence and the storage of renin, renin antigen was assessed by immunohistochemistry in the same tissues. The human pathologic tissues were as follows: two ischemic kidneys related to renovascular hypertension; two renal juxtaglomerular cell tumors; one extrarenal renin-secreting epithelioid sarcoma of soft tissues. In ischemic kidneys, the cells containing both renin mRNA and renin protein were found in numerous juxtaglomerular apparatus and in the wall of arterioles, shown by combined in situ hybridization and immunohistochemistry. Most of the tumor cells in the juxtaglomerular cell tumors and scarce tumor cells in the epithelioid sarcoma of soft tissues were positive by in situ hybridization and immunohistochemistry. These findings demonstrate that the presence of renin in these tissues is associated with local cellular production of renin. In particular, smooth muscle cells of the wall of arterioles are definitely capable of synthesizing renin. Moreover, in these tissues, gene expression (renin synthesis) and renin storage are concordant.
Death of an exception or much ado about nothing. (2005)

Hospitals often engage in physician recruitment in an effort to fulfill a community need for a particular medical specialty. In doing so, the hospital must comply with the regulatory requirements of the physician recruitment exception of the Stark law, which over the years has generated a great deal of discussion and perhaps confusion. The publication of the Stark II, Phase II regulations in March 2004 was supposed to provide guidance and clarity, but the new regulations have raised a number of new issues and concerns, particularly regarding the requirements imposed on recruiting arrangements involving group practices. This Article reviews the regulatory requirements of the new physician recruitment exception and addresses several of the concerns that have been raised. Specifically, it examines the new regulatory definition of the "geographic area served by the hospital," the restrictions on income guarantees when the recruited physician joins a group practice, and the prohibition on additional practice restrictions. The author concludes that, while some of these concerns are legitimate, others will have little practical implication and should not hinder the ability of hospitals to engage in reasonable, beneficial recruitment activities.
Synthesis, characterization and crosslinking of functional star‐shaped poly(ε‐caprolactone) (2001)

Abstract Star‐shaped low molecular weight poly(ε‐caprolactone)s (PCLs) were synthesized and functionalized with crosslinkable terminal groups for subsequent crosslinking. The ε‐caprolactone (CL) prepolymers were polymerized by ring‐opening in the presence of polyglycerine (PGL) as an initiator (1, 3 and 5 mol%) and Sn(II)2‐ethylhexanoate as a catalyst. Characterization of the prepolymer by 13 C/ 1 H nuclear magnetic resonance (NMR) spectroscopy, size exclusion chromatography (SEC), differential scanning calorimetry (DSC) and Fourier transform infrared spectroscopy (FTIR) revealed a six‐armed star‐shaped structure for the prepolymer with the molecular weight controlled by the ratio of PGL and CL. Functionalization of the hydroxyl‐terminated prepolymer was carried out with maleic or itaconic anhydride. In both cases, the characterization of the functionalized prepolymer showed that the hydroxyl groups were completely substituted. The functionalized PCLs were successfully crosslinked through the reaction of double bonds. The crosslinking was induced either thermally with organic peroxide or photochemically with a photosensitive initiator. Characterization of the crosslinked PCLs by Soxhlet extraction, DSC and FTIR showed that the itaconic double bond was much more reactive in thermal crosslinking than the maleic double bond. Thus, the crosslinked prepolymers that were functionalized with itaconic double bonds achieved a gel content of about 90%. A gel content of 100% was achieved with several compositions where crosslinking agents were employed. © 2002 Society of Chemical Industry
Ultrasonic time-of-flight diffraction crack size identification based on cross-correlation (2008)

The time-of-flight-diffraction (TOFD) ultrasonic detection method has been widely used in defect size assessment. This paper presents a method using cross correlation to improve the accuracy of defect sizing in the TOFD framework. The resulting peaks of the cross correlation function between two signals indicate the time of flight between them. Experimental results are used to demonstrate the advantage of the proposed method.
Ng‐MIP, a surface‐exposed lipoprotein of Neisseria gonorrhoeae, has a peptidyl‐prolyl cis/trans isomerase (PPIase) activity and is involved in persistence in macrophages (2005)

Macrophage infectivity potentiators (MIPs) are a family of surface-exposed virulence factors of intracellular microorganisms such as Legionella, Chlamydia and Trypanosoma. These proteins display peptidyl-prolyl cis/trans isomerase (PPIase) activity that is inhibited by immunosuppressants FK506 and rapamycin. Here we describe the identification and characterization in Neisseria gonorrhoeae of Ng-MIP, a surface-exposed lipoprotein with high homology to MIPs. The protein is an homodimer with rapamycin-inhibited PPIase activity confirming that it is a functional member of the MIP family. A knock-out strain, generated by deletion of the mip gene in N. gonorrhoeae F62 strain, was evaluated for its role in infection of mouse and human macrophages. We show that Ng-MIP promotes the intracellular survival of N. gonorrhoeae in macrophages, highlighting a possible role of this protein in promoting the persistence of gonococcal infection.
A generative model for review-based recommendations (2019)

User generated reviews is a highly informative source of information, that has recently gained lots of attention in the recommender systems community. In this work we propose a generative latent variable model that explains both observed ratings and textual reviews. This latent variable model allows to combine any traditional collaborative filtering method, together with any deep learning architecture for text processing. Experimental results on four benchmark datasets demonstrate its superiority comparing to all baseline recommender systems. Furthermore, a running time analysis shows that this approach is in order of magnitude faster that relevant baselines. Moreover, underlying our solution there is a general framework that may be further explored.
Stochastic spatial model of producer-consumer systems on the lattice (2013)

The objective of this paper is to give a rigorous analysis of a stochastic spatial model of producer-consumer systems that has been recently introduced by Kang and the author to understand the role of space in ecological communities in which individuals compete for resources. Each point of the square lattice is occupied by an individual which is characterized by one of two possible types, and updates its type in continuous time at rate one. Each individual being thought of as a producer and consumer of resources, the new type at each update is chosen at random from a certain interaction neighborhood according to probabilities proportional to the ability of the neighbors to consume the resource produced by the individual to be updated. In addition to giving a complete qualitative picture of the phase diagram of the spatial model, our results indicate that the nonspatial deterministic mean-field approximation of the stochastic process fails to describe the behavior of the system in the presence of local interactions. In particular, we prove that, in the parameter region where the nonspatial model displays bistability, there is a dominant type that wins regardless of its initial density in the spatial model, and that the inclusion of space also translates into a significant reduction of the parameter region where both types coexist.
Forging a Partnership Through EDI. A Handbook for DoD and Small Business (1992)

The purpose of this handbook is to acquaint small business with the concepts of electronic data interchange (EDI) and how EDI will be used in the future by the Department of Defense to conduct business. The handbook introduces the reader to EDI, discusses how and why EDI is used in business, and explains what is needed to start using EDI in a small business.... Electronic commerce, Electronic data interchange, American national standards institute, Accredited standards committee, ASC X12, Department of defense, Small business, Electronic contracting, Translation software, Value-added networks, EDI benefits, Government procurement.
Two-Dimensional Colloidal Nanocrystals (2016)

In this paper, we review recent progress on colloidal growth of 2D nanocrystals. We identify the four main sources of anisotropy which lead to the formation of plate- and sheet-like colloidal nanomaterials. Defect-induced anisotropy is a growth method which relies on the presence of topological defects at the nanoscale to induce 2D shapes objects. Such a method is particularly important in the growth of metallic nano-objects. Another way to induce anisotropy is based on ligand engineering. The availability of some nanocrystal facets can be tuned by selectively covering the surface with ligands of tunable thickness. Cadmium chalcogenides nanoplatelets (NPLs) strongly rely on this method which offers atomic control in the thinner direction, down to a few monolayers. Two-dimensional objects can also be obtained by post or in situ self-assembly of nanocrystals. This growth method differs from the previous ones in the sense that the elementary objects are not molecular precursors and is a common method for lead chalcogenide compounds. Finally, anisotropy may simply rely on the lattice anisotropy itself as it is common for rod-like nanocrystals. Colloidally grown transition metal dichalcogenides (TMDC) in particular result from such process. We also present hybrid syntheses which combine several of the previously described methods and other paths, such as cation exchange, which expand the range of available materials. Finally, we discuss in which sense 2D objects differ from 0D nanocrystals and review some of their applications in optoelectronics, including lasing and photodetection, and biology.
Synthesis of 4:5-Benzo-1-cobalta-2-silacyclopentenes and their Reactions with Alkynes and Alkenes:  An Expedient Route to Silicon-Containing Polycyclic Frameworks (2007)

A convenient route to polycyclic compounds incorporating a silicon atom at a ring junction has been developed. Benzosilacyclobutenes tethered to alkynes or alkenes undergo intramolecular cycloadditions in the presence of CpCo(CO)2. The incorporation of the CpCo(CO) moiety into the benzosilacyclobutene framework occurs regioselectively at the Ar−Si bond of the silacycle to give 1-cobalta-2-silacyclopentenes. On the basis of DFT/B3LYP calculations, a nonadiabatic mechanism involving changes in the spin state is proposed.