gebhart/patrepeval huggingface dataset:
Molecular Tunnel Junctions Based on π-Conjugated Oligoacene Thiols and Dithiols between Ag, Au, and Pt Contacts: Effect of Surface Linking Group and Metal Work Function (2011)

The tunneling resistance and electronic structure of metal-molecule-metal junctions based on oligoacene (benzene, naphthalene, anthracene, and tetracene) thiol and dithiol molecules were measured and correlated using conducting probe atomic force microscopy (CP-AFM) in conjunction with ultraviolet photoelectron spectroscopy (UPS). Nanoscopic tunnel junctions (~10 nm(2)) were formed by contacting oligoacene self-assembled monolayers (SAMs) on flat Ag, Au, or Pt substrates with metalized AFM tips (Ag, Au, or Pt). The low bias (<0.2 V) junction resistance (R) increased exponentially with molecular length (s), i.e., R = R(0) exp(βs), where R(0) is the contact resistance and β is the tunneling attenuation factor. The R(0) values for oligoacene dithiols were 2 orders of magnitude less than those of oligoacene thiols. Likewise, the β value was 0.5 per ring (0.2 Å(-1)) for the dithiol series and 1.0 per ring (0.5 Å(-1)) for the monothiol series, demonstrating that β is not simply a characteristic of the molecular backbone but is strongly affected by the number of chemical (metal-S) contacts. R(0) decreased strongly as the contact work function (Φ) increased for both monothiol and dithiol junctions, whereas β was independent of Φ within error. This divergent behavior was explained in terms of the metal-S bond dipoles and the electronic structure of the junction; namely, β is independent of contact type because of weak Fermi level pinning (UPS revealed E(F) - E(HOMO) varied only weakly with Φ), but R(0) varies strongly with contact type because of the strong metal-S bond dipoles that are responsible for the Fermi level pinning. A previously published triple barrier model for molecular junctions was invoked to rationalize these results in which R(0) is determined by the contact barriers, which are proportional to the size of the interfacial bond dipoles, and β is determined by the bridge barrier, E(F) - E(HOMO). Current-voltage (I-V) characteristics obtained over a larger voltage range 0-1 V revealed a characteristic transition voltage V(trans) at which the current increased more sharply with voltage. V(trans) values were generally >0.5 V and were well correlated with the bridge barrier E(F) - E(HOMO). Overall, the combination of electronic structure determination by UPS with length- and work function-dependent transport measurements provides a remarkably comprehensive picture of tunneling transport in molecular junctions based on oligoacenes.
In vitro Propagation of Cordyline terminalis (L.) Kunth.1 (1975)

Abstract Rapid in vitro propagation of Cordyline terminalis was achieved through the induction and proliferation of shoots of stem explants using a modified Murashige and Skoog medium supplemented with 0.5 ppm of 6-benzylamino purine (BA). No growth regulators were required for rapid rooting of shoots. Plantlets were successfully transplanted to vermiculite under a light mist and reduced light intensity.
New models for the simulation of polysilicon impurity diffusion sources for a wide range of process conditions (2003)

New physical models of polysilicon impurity diffusion sources that are applicable for a wide range of process conditions are proposed for bipolar process simulations. These models address the specific dependencies of polysilicon impurity redistribution on process conditions. The models are described by simple phenomenological equations, including impurity segregation at the grain boundaries, grain growth, and impurity diffusion both at the grain boundaries and within the grains. The parameter values used in these equations are determined by comparison between the experimental results and theoretical calculations, which are independent of the process conditions. The authors have simulated impurity diffusion in polycrystalline Si for a wide range of process conditions, and good agreement was achieved with experimental results.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Hexakis(<i>m</i>-phenylene ethynylene) Macrocycles with Multiple H-Bonding Side Chains and Modified Cavities: Altered Stacking Strength and Persistent Tubular Assembly (2016)

Hexakis(m-phenylene ethynylene) macrocycles 1 bearing multiple hydrogen-bonding side chains and containing inner cavities modified with different functional groups are synthesized based on Pd-catalyzed (Sonogashira) coupling of monomeric building blocks to trimeric precursors that are recombined and coupled to give macrocycles with different substitution patterns of inward-pointing groups. Examining four representative macrocycles indicates that they all undergo the same helical tubular assembly previously observed for macrocycle 1a but with different stacking strengths.
Steric and electronic effects of the tertiary phosphine ligand on the dissociative reductive elimination from cis-aryldimethyl(triarylphosphine)gold(III) (1985)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSteric and electronic effects of the tertiary phosphine ligand on the dissociative reductive elimination from cis-aryldimethyl(triarylphosphine)gold(III)Sanshiro. Komiya and Akira. ShibueCite this: Organometallics 1985, 4, 4, 684–687Publication Date (Print):April 1, 1985Publication History Published online1 May 2002Published inissue 1 April 1985https://pubs.acs.org/doi/10.1021/om00123a012https://doi.org/10.1021/om00123a012research-articleACS PublicationsRequest reuse permissionsArticle Views613Altmetric-Citations52LEARN 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
Mapping and Characterization of a Retinoic Acid-Responsive Enhancer of Midkine, a Novel Heparin-Binding Growth/Differentiation Factor with Neurotrophic Activity1 (1994)

MK is a gene that is activated by retinoic acid in embryonal carcinoma (EC) cells and is expressed temporarily during the mid-gestation period of mouse embryogenesis. Midkine, the product of the gene is a novel heparin-binding growth/differentiation factor with neurite outgrowth and neurotrophic activities. The regulatory DNA element in the retinoic acid-induced expression of the MK gene has been investigated. The 1.9 kb 5'-flanking region of the MK gene can mediate retinoic acid-responsive gene expression in F9 and HM-1 EC cells. Analysis of this region by deletion mutagenesis in F9 EC cells shows that there is a retinoic acid-responsive enhancer (designated as REM1) around 900 bp upstream from the transcription start site. This enhancer is composed of two sequence elements, which are located between -1006 and -895 and between -901 and -794. The core element of the upstream region (-971 to -955), whose deletion abolished the retinoic acid responsiveness, contained a sequence highly homologous to a binding site for retinoic acid receptors. Binding of a retinoic acid receptor heterodimer to this core element was verified by gel shift assay. Thus, retinoic acid and the receptor complex can directly induce the expression of a growth/differentiation factor gene.
System configurations (safety systems) (1989)

A discussion is given on hardware aspects of the system configuration of safety systems. When considering the configuration it is essential to include everything that is related to the safety system and not just the programmable part. The total configuration of safety related systems may include other electrical or electronic systems, mechanical or pneumatic equipment or possibly actions of the operator. The system approach presented, identifies every part of the configuration and considers the safety aspects of each one. The Health and Safety Executive Guidelines PES 2 suggests the three elements which could be used to evaluate each part: configuration, reliability and overall quality. The author addresses the first 2 elements. Having identified all the parts of the total configuration then the criteria for the programmable part can be established in order to achieve a specific level of reliability. Three areas must then be considered: what configuration to use; does it meet the criteria; and effect of the configuration on total equipment reliability.
End-On and Side-On Peroxo Derivatives of Non-Heme Iron Complexes with Pentadentate Ligands:  Models for Putative Intermediates in Biological Iron/Dioxygen Chemistry (2003)

Mononuclear iron(III) species with end-on and side-on peroxide have been proposed or identified in the catalytic cycles of the antitumor drug bleomycin and a variety of enzymes, such as cytochrome P450 and Rieske dioxygenases. Only recently have biomimetic analogues of such reactive species been generated and characterized at low temperatures. We report the synthesis and characterization of a series of iron(II) complexes with pentadentate N5 ligands that react with H(2)O(2) to generate transient low-spin Fe(III)-OOH intermediates. These intermediates have low-spin iron(III) centers exhibiting hydroperoxo-to-iron(III) charge-transfer bands in the 500-600-nm region. Their resonance Raman frequencies, nu(O)(-)(O), near 800 cm(-)(1) are significantly lower than those observed for high-spin counterparts. The hydroperoxo-to-iron(III) charge-transfer transition blue-shifts and the nu(O)(-)(O) of the Fe-OOH unit decreases as the N5 ligand becomes more electron donating. Thus, increasing electron density at the low-spin Fe(III) center weakens the O-O bond, in accord with conclusions drawn from published DFT calculations. The parent [(N4Py)Fe(III)(eta(1)-OOH)](2+) (1a) ion in this series (N4Py = N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine) can be converted to its conjugate base, which is demonstrated to be a high-spin iron(III) complex with a side-on peroxo ligand, [(N4Py)Fe(III)(eta(2)-O(2))](+) (1b). A detailed analysis of 1a and 1b by EPR and Mössbauer spectroscopy provides insights into their electronic properties. The orientation of the observed (57)Fe A-tensor of 1a can be explained with the frequently employed Griffith model provided the rhombic component of the ligand field, determined by the disposition of the hydroperoxo ligand, is 45 degrees rotated relative to the octahedral field. EXAFS studies of 1a and 1b reveal the first metrical details of the iron-peroxo units in this family of complexes: [(N4Py)Fe(III)(eta(1)-OOH)](2+) has an Fe-O bond of 1.76 A, while [(N4Py)Fe(III)(eta(2)-O(2))](+) has two Fe-O bonds of 1.93 A, values which are in very good agreement with results obtained from DFT calculations.
Athletes and eating disorders: The national collegiate athletic association study (1999)

Results from the current investigation are more conservative than previous studies of student athletes, but comparable to another large study of elite Norwegian athletes. Reasons for these differences are discussed. Clearly female athletes report more difficulty with disordered eating than male athletes. Some specific risk factors for female athletes are discussed.
Finding associations among SNPS for prostate cancer using collaborative filtering (2012)

Prostate cancer is the second leading cause of cancer related deaths among men. Because of the slow growing nature of prostate cancer, sometimes surgical treatment is not required for less aggressive cancers. Recent debates over prostate-specific antigen (PSA) screening have drawn new attention to prostate cancer. Genome-based screening can potentially help in assessing the risk of developing prostate cancer. Due to the complicated nature of prostate cancer, studying the entire genome is essential to find genomic traits. Due to the high cost of studying all Single Nucleotide Polymorphisms (SNPs), it is essential to find tag SNPs which can represent other SNPs. Earlier methods to find tag SNPs using associations between SNPs either use SNP's location information or are based on data of very few SNP markers in each sample. Our study is based on 2300 samples with 550,000 SNPs each. We have not used SNP location information or any predefined standard cut-offs to find tag SNPs. Our approach is based on using collaborative filtering methods to find pairwise associations among SNPs and thus list top-N tag SNPs. We have found 25 tag SNPs which have highest similarities to other SNPs. In addition we found 16 more SNPs which have high correlation with the known high risk SNPs that are associated with prostate cancer. We used some of these newly found SNPs with 5 different classification algorithms and observed some improvement in prostate cancer prediction accuracy over using the original known high risk SNPs.
Mechanically Robust, Self‐Healable, and Highly Stretchable “Living” Crosslinked Polyurethane Based on a Reversible CC Bond (2018)

Abstract Stimuli‐responsive polymers built by reversible covalent bonds used to possess unbalanced mechanical properties. Here, a crosslinked polyurethane containing aromatic pinacol as a novel reversible CC bond provider is synthesized, whose tensile strength and failure strain are tunable from 27.3 MPa to as high as 115.2 MPa and from 324% to 1501%, respectively, owing to the relatively high bond energy of the CC bond of pinacol as well as the hydrogen bond between hard segments and semicrystalline soft segments. Moreover, the dynamic equilibrium of pinacol enables self‐healing and recycling of the polymer. Interestingly, the dynamic exchange among macromolecules, for the first time, successfully cooperates with solid‐state drawing that applies to thermoplastics, realizing strengthening of thermoset. Meanwhile, the radicals derived from homolysis of pinacol can repeatedly initiate polymerization of vinyl monomers. The fruitful outcomes of this work may create a series of promising new techniques.
Fabrication and Photoluminescence Studies of GaInAsP/InP 2-Dimensional Photonic Crystals (1996)

We have fabricated GaInAsP/InP compressive strained quantum-well two-dimensional (2D) photonic crystals, which are expected to exhibit an effective spontaneous emission control without discrimination by surface recombination. Electron beam lithography and methane-based reactive ion beam etching techniques were used to form submicron periodic structures. The photoluminescence from the formed structures was almost as strong as that from an as-grown wafer. In addition, it was observed that the emission inside the substrate plane was transverse-magnetic-polarized when the designed photonic bandgap for transverse-electric (TE) polarization overlapped with the emission frequency, while the emission from the as-grown wafer was TE-polarized. These results support the theory of spontaneous emission control effect by quantum confinement of photons and electrons.
Mycelium cultivation, chemical composition and antitumour activity of a Tolypocladium sp. fungus isolated from wild Cordyceps sinensis (2006)

The Cs-HK1 fungus may be a new and promising medicinal fungus and an effective and economical substitute of the wild C. sinensis for health care.
Enabling cyber-physical systems with machine-to-machine technologies (2013)

In recent years, Cyber–Physical Systems (CPS) has emerged as a promising direction to enrich the interactions between physical and virtual worlds. While Machine–to–Machine (M2M), Wireless Sensor Networks (WSNs) and CPS are quite similar in many networking aspects, there are still some major differences. In this paper, we first review several concepts and terms, including M2M, WSNs, CPS and Internet of Things (IoT). Then, we conduct a case study exemplified by home M2M networks, and outline the further research proposals of M2M communications. On this basis, a case of CPS, Human–Cyber–Physical System (HCPS) to achieve system safety and efficiency for connected vehicles, is proposed, and the research proposals and challenges for HCPS are summarised. Finally, we carry out a comparison of M2M and CPS to demonstrate how M2M systems with the capabilities of decision–making and real–time control can be upgraded to CPS.
Superresolving Multiphoton Interferences with Independent Light Sources (2012)

We propose to use multiphoton interferences from statistically independent light sources in combination with linear optical detection techniques to enhance the resolution in imaging. Experimental results with up to five independent thermal light sources confirm this approach to improve the spatial resolution. Since no involved quantum state preparation or detection is required, the experiment can be considered an extension of the Hanbury Brown-Twiss experiment for spatial intensity correlations of order N>2.
A self-sustained nanomechanical thermal-piezoresistive oscillator with ultra-low power consumption (2014)

This work reports wing-type thermal-piezoresistive oscillators operating at around 840 kHz in vacuum with ultra-low power consumption of only 70 μW for the first time. The combination of N-type heavily doped silicon with negative piezoresistive coefficients and sub-micron cross-sectional dimensions of the thermally actuated beams is key to ensuring self-sustained oscillation under sub-100μW level. In particular, shrinking thermal beam cross-sections in 2D is a novel and effective approach to achieve better figure of merit (e.g., FOM defined by the ratio of transconductance g <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">m</sub> to dc power consumption P <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">DC</sub> ) of the self-sustained oscillators. By using proper control of silicon etching (ICP) recipe, the sub-micron cross-sectional dimensions of the thermally actuated beams can be easily and reproducibly fabricated in one process step. The phase noise of the proposed wing-type oscillators is also investigated in this work with -93.41 dBc/Hz at 1-kHz offset and -97.95 dBc/Hz at 100-kHz offset in air, and -95.9 dBc/Hz at 1-kHz offset and -95.7 dBc/Hz at 100-kHz offset in vacuum, respectively.
Design of the packet forwarding architecture of the ATM based MPLS edge node (2002)

In multi-protocol label switching (MPLS) domains, the speed-up by eliminating the IP header lookup and the support of QoS are basic roles of label switch routers (LSRs). Core LSRs inside MPLS network forward packets at the network-specific link layer. However, edge LSRs on the MPLS network boundary would forward packets at the link layer and at the network layer. The support of both high-speed forwarding and the guarantee of QoS at the edge LSRs are very important. This paper proposes the packet forwarding architecture of the ATM-label edge router (ATM-LER), which is an MPLS edge LSR on the public ATM network boundary, to support the high-speed forwarding. The forwarding control procedures and the related works of the ATM-LER are also discussed.
Highly efficient, NiAu-catalyzed hydrogenolysis of lignin into phenolic chemicals (2014)

A highly efficient, stable NiAu catalyst that exhibits unprecedented low temperature activity in lignin hydrogenolysis was for the first time developed, leading to the formation of 14 wt% aromatic monomers from organosolv lignin at 170 °C in pure water.
Minimally invasive surgery (1990)

Urology has been a leader in the trend toward minimizing the invasiveness of surgery, and the author, a urologist, established a Department of Minimally Invasive Surgery in 1986. This article revie...
Treatment of Solvent-Contaminated Water Using Vortex-Based Cavitation: Influence of Operating Pressure Drop, Temperature, Aeration, and Reactor Scale (2018)

Hydrodynamic cavitation is being increasingly pursued for the development of an intensified and compact wastewater-treatment process. Experimental data on the degradation of water contaminated with three commonly used solvents (acetone; ethyl acetate, EA; and isopropyl alcohol, IPA) using vortex-based cavitation devices are presented. The influence of operating flow or pressure drop across cavitation devices (150 to 300 kPa), operating temperatures (20 to 45 °C), concentrations of pollutant (1000 to 50 000 ppm), and scales of the cavitation reactor (with a scaling-up factor of 4, maintaining the geometric similarity) has been reported. A new reaction-engineering model based on the number of passes through the cavitation device was developed to interpret degradation behavior. The model provides a convenient way to estimate the per-pass degradation factor from batch experiments and allows its extension to continuous processes and to more-sophisticated models for estimating the generation of hydroxyl radicals. The model showed excellent agreement with experimental data. The per-pass degradation factor exhibited a maxima with respect to pressure drop (200–250 kPa) across cavitation devices. Aeration was found to improve degradation performance up to 1 vvm ([L/min]gas/Lliquid]). The initial concentrations of acetone (1000 to 50 000 ppm) and IPA (1000 to 22 000 ppm) were found to have a negligible effect on degradation performance. The per-pass degradation factor for EA was 1.5 and 4 times that of acetone and IPA, respectively. The effect of two scales (nominal capacities of the small- and large-scale devices used were 0.3 and 1.2 m3/h, respectively) was investigated for the first time, and it was found that the per-pass degradation factor decreased with scale. The presented model and experimental data provide new insights into the application of hydrodynamic cavitation for wastewater treatment and provide a basis for further work on the scaling-up of hydrodynamic cavitation devices. The results will be useful to researchers as well as practicing engineers interested in harnessing hydrodynamic cavitation for water treatment.
Acyl chain-dependent effect of lysophosphatidylcholine on endothelial prostacyclin production (2010)

Previously we identified palmitoyl-lysophosphatidylcholine (16:0 LPC), linoleoyl-LPC (18:2 LPC), arachidonoyl-LPC (20:4 LPC), and oleoyl-LPC (18:1 LPC) as the most prominent LPC species generated by the action of endothelial lipase (EL) on high-density lipoprotein. In the present study, the impact of those LPC on prostacyclin (PGI(2)) production was examined in vitro in primary human aortic endothelial cells (HAEC) and in vivo in mice. Although 18:2 LPC was inactive, 16:0, 18:1, and 20:4 LPC induced PGI(2) production in HAEC by 1.4-, 3-, and 8.3-fold, respectively. LPC-elicited 6-keto PGF1α formation depended on both cyclooxygenase (COX)-1 and COX-2 and on the activity of cytosolic phospholipase type IVA (cPLA2). The LPC-induced, cPLA2-dependent (14)C-arachidonic acid (AA) release was increased 4.5-fold with 16:0, 2-fold with 18:1, and 2.7-fold with 20:4 LPC, respectively, and related to the ability of LPC to increase cytosolic Ca(2+) concentration. In vivo, LPC increased 6-keto PGF(1α) concentration in mouse plasma with a similar order of potency as found in HAEC. Our results indicate that the tested LPC species are capable of eliciting production of PGI(2), whereby the efficacy and the relative contribution of underlying mechanisms are strongly related to acyl-chain length and degree of saturation.