gebhart/patrepeval huggingface dataset:
Structure and Electronic Spectra of Purine–Methyl Viologen Charge Transfer Complexes (2014)

The structure and properties of the electron donor–acceptor complexes formed between methyl viologen and purine nucleosides and nucleotides in water and the solid state have been investigated using a combination of experimental and theoretical methods. Solution studies were performed using UV–vis and ¹H NMR spectroscopy. Theoretical calculations were performed within the framework of density functional theory (DFT). Energy decomposition analysis indicates that dispersion and induction (charge-transfer) interactions dominate the total binding energy, whereas electrostatic interactions are largely repulsive. The appearance of charge transfer bands in the absorption spectra of the complexes are well-described by time-dependent DFT and are further explained in terms of the redox properties of purine monomers and solvation effects. Crystal structures are reported for complexes of methyl viologen with the purines 2′-deoxyguanosine 3′-monophosphate (DAD′DAD′ type) and 7-deazaguanosine (DAD′ADAD′ type). Comparison of the structures determined in the solid state and by theoretical methods in solution provides valuable insights into the nature of charge-transfer interactions involving purine bases as electron donors.
Al-glass kW fibre laser end-pumped by MCCP-cooled diode stacks (2011)

High power industrial fibre lasers are typically pumped by single emitter diodes, with pump power aggregation and the fibre laser cavity being achieved in a monolithic "all-fibre" architecture comprising fused fiber bundles, fiber Bragg grating reflectors and numerous splices. We adopted a very different approach based on end pumping of a stable multimode oscillator utilizing free space optics.
Predictors and Outcome of Readmission after Laparoscopic Intestinal Surgery (2007)

Early readmission after laparoscopic colon and rectal operations is not associated with early discharge. Identification of specific patient characteristics indicating risk for early readmission may allow for selective changes in perioperative care or discharge criteria to avoid unexpected readmission. An erratum to this article can be found at
ChemInform Abstract: SiO2‐Supported RuCl3/3‐(Dichloroiodo)benzoic Acid: Green Catalytic System for the Oxidation of Alcohols and Sulfides in Water. (2012)

Abstract A new green catalytic oxidative system based on SiO 2 ‐supported RuCl 3 and 3‐(dichloroiodo)benzoic acid as oxidant is used for the oxidation of alcohols and sulfides under mild conditions in water.
A Small Molecule that Walks Non‐Directionally Along a Track Without External Intervention (2012)

Charge of the light brigade: A molecule is able to walk back and forth upon a five-foothold pentaethylenimine track without external intervention. The 1D random walk is highly processive (mean step number 530) and exchange takes place between adjacent amine groups in a stepwise fashion. The walker performs a simple task whilst walking: quenching of the fluorescence of an anthracene group sited at one end of the track.
Molecular Engineering Study on Electron Transfer from NADPH-P450 Reductase to Rat Mitochondrial P450c27 in Yeast Microsomes (1996)

We have reported the localization on yeast microsomes for a modified P450c27 (mic-P450c27) that contains the microsomal targeting signal of bovine P450c17 in front of the mature form of rat mitochondrial P450c27 (Sakaki, T., Akiyoshi-Shibata, M., Yabusaki, Y., and Ohkawa, H. (1992) J. Biol. Chem. 267, 16497-16502). In this study, we found that mic-P450c27 could be reduced by NADPH in the yeast microsomes without supplement of its physiological redox partners, adrenodoxin and NADPH-adrenodoxin reductase. In order to elucidate the direct electron transfer from NADPH-P450 reductase to mic-P450c27, we carried out simultaneous expression of mic-P450c27 and yeast P450 reductase. The reduction rate of mic-P450c27 was increased by overproduction of yeast P450 reductase, roughly in proportion to the reductase content in the microsomes. In addition, we constructed a fused enzyme between mic-P450c27 and yeast P450 reductase. The reduction rate of heme iron in the fused enzyme was too rapid to be measured. These recombinant yeast microsomes showed a notable 27-hydroxylation activity toward 5beta-cholestane-3alpha,7alpha, 12alpha-triol in the absence of adrenodoxin and adrenodoxin reductase. Finally, we purified mic-P450c27 from the recombinant yeast microsomes and reconstituted the hydroxylation system in liposomal membranes using the purified mic-P450c27 and yeast NADPH-P450 reductase. Mic-P450c27 was reduced by NADPH and showed its monooxygenase activity on the reconstituted system. Therefore, yeast NADPH-P450 reductase alone was found to transfer two electrons from NADPH to mic-P450c27. These results clearly show that mic-P450c27 not only localizes on the microsomes but also functions as a microsomal cytochrome P450 that accepts electrons from NADPH-P450 reductase.
Extinction spectra and electrical field enhancement of Ag nanorods with different topologic shapes (2007)

We use the discrete dipole approximation method to investigate the length-dependent optical extinction spectra and the E-field enhancement of Ag nanorods with different topologic shapes, such as cylindrical, needlelike, periodic, L, and Y shapes. Comparing to nanorods with a simple shape (cylinder and needle), irregular nanorods show many distinct plasmon resonances over a large spectral range. The main plasmon peaks are redshifted with the increase of the lengths and enhanced E-field distribution at those wavelengths depends strongly on the shapes of the nanorods. More hot spots are observed for the nanorods with more defects (i.e., periodic, L, and Y shapes) and the maximum E fields are in the same order of magnitude for cylindrical nanorods and depends on the polarization and propagation directions of the excitation light. The polarization dependent extinction spectra of nanorods with different shapes have also been calculated and are shown to be dependent on the symmetry of the nanorod structure. With specific incident direction, by changing the incident polarization angle, the maximum E field of L- and Y-shaped nanorods can vary in location and magnitude. These results show that defects or imperfections in Ag nanorod structures could drastically change the optical properties, generate extra hot spots for surface enhanced spectroscopy, and have different enhanced field distribution for future plasmonic applications.
The Halogenation of Aliphatic C-H Bonds with Peracetic Acid and Halide Salts (2010)

Hydrocarbons react with molar concentrations of peracetic acid and halide salts to yield predominantly monohalogenated products under optimum conditions, with chlorination being more oxidatively efficient than bromination. The alkane halogenation proceeds at ambient temperature and does not require a heavy-metal catalyst. The observed reactivity is consistent with a radical mechanism, in which the peracid initially reacts with the halide ions to yield halogen-atom radicals, which ultimately oxidize the hydrocarbon. Although the reactivity proceeds slightly more efficiently in acetonitrile, the halogenation protocol works well in water.
A gestural input through finger writing on a textured pad (2007)

We describe a new input method that utilizes patterned vibration that is generated through the finger writing on a textured pad. Using a flexible or a foldable textured pad which can be worn by the user can bring more diverse applications than conventional input interfaces such as a touchpad or tablet screen.
A Goodness-of-Fit Test for Binary Regression Models, Based on Smoothing Methods (1991)

A new global test statistic for models with continuous covariates and binary response is introduced. The test statistic is based on nonparametric kernel methods. Explicit expressions are given for the mean and variance of the test statistic. Asymptotic properties are considered and approximate corrections due to parameter estimation are presented. Properties of the test statistic are studied by simulation. The goodness-of-fit method is illustrated on data from a Dutch follow-up study on preterm infants. Recommendations for practitioners are given.
Abrogation of bone marrow allograft resistance in mice by increased total body irradiation correlates with eradication of host clonable T cells and alloreactive cytotoxic precursors. (1987)

Host-vs-graft activity presents a major obstacle for transplantation of T cell-depleted bone marrow in HLA-mismatched patients. In a primate model, conditioned exactly like leukemia patients, it was shown that residual host clonable T cells, as well as alloreactive cytotoxic precursors, were present in peripheral blood and spleen after completion of cytoreduction. We have now extended this study in a mouse model for allogeneic bone marrow transplantation. C3H/HeJ mice were treated by 9 Gy total body irradiation (TBI), and 24 hr later their spleen cells were cultured in the presence of T cell growth factor and phytohemagglutinin according to the limit dilution procedure. After 7 days of culture the average frequency of clonable cells was 2.5 X 10(-3) compared with 37 X 10(-3) in the spleens of normal mice. The T cell derivation of the growing cells was ascertained by complement-mediated cytotoxicity with anti-Thy-1 as well as with anti-Lyt-2 and anti-Ly-3T4. In parallel, we found that the initial engraftment rate of bone marrow allograft in mice given 9 Gy TBI was lower than that found in recipients of syngeneic marrow. The initial engraftment rate was measured by the number of colony-forming units in the spleen and by splenic uptake of 125IUdR. A slight increase in TBI from 9 Gy to 11 Gy markedly reduced the difference in the number of spleen colony-forming units or the IUdR uptake between recipients of allogeneic and syngeneic bone marrow. This increase in TBI also coincided with eradication of detectable clonable T cells. Moreover, in mice transplanted with T cell-depleted bone marrow after 9 Gy TBI, we also demonstrate that cytotoxicity against donor-type target cells is present in the spleen 10 to 14 days posttransplantation, whereas in mice treated by 11 Gy TBI such alloreactivity could not be detected. These results suggest that resistance to T cell-depleted allogeneic bone marrow in irradiated mice closely correlates with the frequencies of residual host clonable T cells detectable by conventional immunologic assays.
Advanced Biophotonics and Nanophotonics (2014)

Optical imaging, both traditional and emerging, plays a signicant and widespread role in medicine and surgery, as noted by the ubiquitous use of microscopes, endoscopes, and video-based imaging systems. e ultimate goal is to rapidly quantify the local concentration of the biomolecule of interest on the microscopic scale, preferably without external labeling. is is intrinsically dicult for common techniques such as confocal microscopy, infrared microscopy, (spontaneous) Raman microspectroscopy, optical coherence tomography (OCT), x-ray uorescence microscopy, and conventional incoherent or coherent multiphoton microscopy including two-photon uorescence, second-order harmonic generation, and third-order harmonic generation. In this respect, coherent anti-Stokes Raman scattering (CARS) has attracted a growing interest since 1999 [1] due to three prominent advantages. First, the multiphoton process of CARS permits high-resolution subcellular imaging in three dimensions, termed as nonlinear sectioning capability. Second, fast imaging can be conducted on unstained (unperturbed) samples with chemically specic vibration (Raman) contrast (Figure 12.1). is label-free molecular imaging is enabled by the coherent process of CARS that constructively amplies the otherwise weak spontaneous signal of Raman microspectroscopy. ird, the optical frequency upconverted CARS signal can be easily separated from the excitation, spontaneous Raman photons, and uorescence background. Note that the coherence process of CARS requires a phase-matching condition to maintain momentum conservation (Figure 12.1), which typically leads to geometrically complicated noncollinear imaging [2]. Fortunately, in the scenario of CARS microscopy with tight focusing conditions, collinear excitation beams at the focus come from a solid angle, which is suciently large to cover the phase-matching condition [1].
A micromechanical device that monitors arterial pressure during general anesthesia and in intensive care units (2015)

6 registers the emission power. Interference generally results in the superposition of not two, but several waves that emerge due to the repeated transformations of the light beam between the end of the optical fiber and the mirror.
Automatic identification and counting of repetitive actions related to an industrial worker (2019)

This study aims at proposing an innovative experimental methodology for the automatic recognition and counting of occupational repetitive action during a work cycle of an industrial worker. Through this aim, we want to evaluate the possibility to objectivize the computation of the OCcupational Repetitive Action (OCRA) index. Two healthy subjects were enrolled in the study and they were asked to perform 11 technical actions in two different repetitions. Participants were equipped with 23 inertial sensors place on different body segments in order to evaluate angles related to trunk, shoulder, elbow and wrist in the three anatomical planes. An algorithm based on Support Vector Machines was used for the automatic recognition of the technical actions; a further algorithm was implemented for the counting of the actions after their recognition. The recognition algorithm was tested with both a subject-specific training and a standard training. Results showed an accuracy in the recognition greater than 89.5% and 86.5% for the subject-specific and standard training, respectively. As regards the action counting, algorithm showed an accuracy from 72.2% to 100% based on different actions. This preliminary study opens the possibility to validate an automatic methodology for the automatic detection and counting of repetitive actions in industrial environment based on machine-learning algorithm and inertial sensors.
Cardiotoxicity after doxorubicin and AZD2171, an oral vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitor, in patients (pts) with breast cancer (2007)

554 Background: AZD2171 selectively inhibits VEGFR 1,2,3. This trial examined the safety and efficacy of AZD2171 with anthracycline-containing therapy. Methods: Pts with previously untreated Stage IIB and III breast cancer received neoadjuvant AZD2171 (30mg) alone for one cycle (1 week) followed by daily AZD2171 and TAC chemotherapy with docetaxel (T), doxorubicin 50 mg/m 2 (A) cyclophosphamide (C) for 6 cycles (Cy) every 3 weeks. Pts underwent breast surgery after completing neoadjuvant therapy. Eligible pts had left ventricular ejection fraction (EF) = 50%, and no uncontrolled HTN or cardiac history. Pts underwent electrocardiogram (EKG), and troponin first day (D) of every Cy and 24 hours after TAC as well as serial echocardiograms (echo). Cardiac stress MRI with dipyridamole was performed when pts had decreases in EF by echo. Results: Two pts received 2 Cy of AZD2171 alone, 9 Cy with TAC and AZD2171, and 1 Cy with TAC alone. Pt 1 and Pt 2 developed hypertension requiring medical therapy Cy4, D1 (148/97 mm Hg) and Cy2, D2 (169/93 mm Hg) respectively. Pt 1 had asymptomatic decrease in EF from 65% to 40% (grade 2) with global hypokinesis pre-Cy5 by echo. Troponin and EKG were negative for acute ischemia. Cardiac stress MRI was normal and EF returned to 60% within 48 hours. The pt continued therapy and pre-Cy7 EF was 51% by echo. Cumulative A dose received was 250mg/m 2 pre-Cy7. AZD2171 was held while Cy7 TAC was continued. EF was 57% by echo 1 month after Cy7 TAC. Pt 2 had asymptomatic decrease in EF from 65% to 50% pre-Cy4 by echo with mild global hypokinesis. Troponin and EKG were negative for acute ischemia. Cardiac stress MRI showed EF of 56% with no ischemia. She continued AZD2171 and TAC. Pre-Cy5 EF was 35–40% (grade 3) with global hypokinesis. Troponin and EKG were negative. Cumulative dose of A received was 150mg/m 2 . AZD2171 and A were stopped; T and C were continued. EF normalized to 55% by cardiac stress MRI and echo within 21 days. Conclusion: Due to the systolic dysfunction that occurred with concurrent AZD2171 and doxorubicin administration, the study is closed. Future trials should administer AZD2171 and anthracyclines sequentially with stringent monitoring of blood pressure and ejection fraction. No significant financial relationships to disclose.
Trimethylcyclohexane: overtone spectrum, ab initio calculations, and unusual chemical shifts (1991)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTrimethylcyclohexane: overtone spectrum, ab initio calculations, and unusual chemical shiftsKathleen M. Gough, Bryan R. Henry, Bernhard J. Schattka, and Timothy A. WildmanCite this: J. Phys. Chem. 1991, 95, 4, 1579–1585Publication Date (Print):February 1, 1991Publication History Published online1 May 2002Published inissue 1 February 1991https://pubs.acs.org/doi/10.1021/j100157a014https://doi.org/10.1021/j100157a014research-articleACS PublicationsRequest reuse permissionsArticle Views42Altmetric-Citations11LEARN 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
Sensitization to hyperthermia by 3,3'-dipentyloxacarbocyanine iodide: A positive correlation with DNA damage and negative correlations with altered cell morphology, oxygen consumption inhibition, and reduced ATP levels (1991)

The cyanine dye 3,3'-dipentyloxacarbocyanine iodide (DiOC5(3)) (concentrations of 0.5 microgram/ml to 5.0 micrograms/ml) was shown to be a potent sensitizer of Chinese hamster ovary (CHO) cells to hyperthermic cell killing at 43.0 degrees C or 45.5 degrees C, while exhibiting no cytotoxicity at 37.0 degrees C. Sensitization to hyperthermic cell killing was accompanied by an increase in damage to the DNA, as measured by DNA unwinding. The increased DNA damage correlated qualitatively with the enhanced heat killing induced by DiOC5(3). This correlation was better in cells heated at 43.0 degrees C than in those heated at 45.5 degrees C. DiOC5(3) is known to affect other cellular functions. It inhibits electron transport, uncouples oxidative phosphorylation, and inhibits calcium ATPases. The effects of DiOC5(3) on oxygen consumption and ATP content were therefore measured at 37.0 degrees C and at hyperthermic temperatures. The results demonstrated that inhibition of oxygen consumption and reduction of cellular ATP levels played no role in inducing heat sensitization in DiOC5(3)-treated cells, or in causing cell death in cells treated with heat alone.
Identification of a bovine rotavirus gene and gene product influencing cellular attachment (1984)

Preliminary characterization of naturally occurring temperature-sensitive bovine rotavirus mutants, generated via gene reassortment, indicated that the product of gene segment 10 can influence virus adsorption to MA-104 cells. Cell-free translation of this gene segment in a rabbit reticulocyte system was then utilized to identify a polypeptide with a molecular weight of ca. 21,500 as the primary translation product. This identification provides a basis for further studies of rotavirus assembly and cell interactions which may, in turn, aid in elucidating the replicative strategy of the virus.
Inadequate reimbursement for long-term care. The impact since hospital DRGs. (1990)

Cost-cutting measures, particularly in reimbursement mechanisms, have affected long-term care in nursing homes. Since the advent of DRGs, the author contents, "nursing home residents are more acutely ill than ever before."
Nanopatterning and Electrical Tuning of MoS2 Layers with a Subnanometer Helium Ion Beam (2015)

We report subnanometer modification enabled by an ultrafine helium ion beam. By adjusting ion dose and the beam profile, structural defects were controllably introduced in a few-layer molybdenum disulfide (MoS2) sample and its stoichiometry was modified by preferential sputtering of sulfur at a few-nanometer scale. Localized tuning of the resistivity of MoS2 was demonstrated and semiconducting, metallic-like, or insulating material was obtained by irradiation with different doses of He(+). Amorphous MoSx with metallic behavior has been demonstrated for the first time. Fabrication of MoS2 nanostructures with 7 nm dimensions and pristine crystal structure was also achieved. The damage at the edges of these nanostructures was typically confined to within 1 nm. Nanoribbons with widths as small as 1 nm were reproducibly fabricated. This nanoscale modification technique is a generalized approach that can be applied to various two-dimensional (2D) materials to produce a new range of 2D metamaterials.
Specificity of tumor cell stimulation of DNA inhibitory cytokine production in vitro. (1981)

ST/a splenocytes and peritoneal macrophages sensitized to tumorigenic, isoimmunizing R+ ST-L cells in vivo are stimulated to produce a DNA inhibitory supernatant in vitro when co-cultured with R+ ST-L cells. Studying the cross-reactions with various uninfected and MuLV infected cells, evidence was obtained for the gp70 specificity of this stimulation. T-cell depletion by thymectomy and whole body irradiation caused a moderate reduction of the DNA inhibitory effect of the splenocyte culture supernatant. However, macrophage depletion by silicate caused an almost complete abolishment of DNA inhibitory cytokine production, which could not be restored by the addition of supplementary non-sensitized spleen cells.
A Comparison of MIMO and Phased Array Radar with the Application of Music (2007)

The utilization of diversity in radar systems has shown improvements over conventional phased array radars in many aspects of the system performance including target detection probability, number of targets, and beam-pattern. We present here the application of the MUSIC algorithm to MIMO radar and the associated benefits of increasing the diversity to its performance for a single target and two closely spaced targets, but also show that a system with diversity can perform worse than that of a phased array system due to the directional transmit beamforming gain available to the phased array.