gebhart/patrepeval huggingface dataset:
The Controlled Formation and Cleavage of an Intramolecular d<sup>8</sup>–d<sup>8</sup> Pt–Pt Interaction in a Dinuclear Cycloplatinated Molecular “Pivot‐Hinge” (2009)

The bis(diphenylphosphino)methane (dppm)-bridged dinuclear cycloplatinated complex {[Pt(L)](2)(mu-dppm)}(2+) (Pt(2)dppm; HL: 2-phenyl-6-(1H-pyrazol-3-yl)-pyridine) demonstrates interesting reversible "pivot-hinge"-like intramolecular motions in response to the protonation/deprotonation of L. In its protonated "closed" configuration, the two platinum(II) centers are held in position by intramolecular d(8)-d(8) Pt-Pt interaction. In its deprotonated "open" configuration, such Pt-Pt interaction is cleaved. To further understand the mechanism behind this hingelike motion, an analogous dinuclear cycloplatinated complex, {[Pt(L)](2)(mu-dchpm)}(2+) (Pt(2)dchpm) with bis(dicyclohexylphosphino)methane (dchpm) as the bridging ligand, was synthesized. From its protonation/deprotonation responses, it was revealed that aromatic pi-pi interactions between the phenyl moieties of the mu-dppm and the deprotonated pyrazolyl rings of L was essential to the reversible cleavage of the intramolecular Pt-Pt interaction in Pt(2)dppm. In the case of Pt(2)dchpm, spectroscopic and spectrofluorometric titrations as well as X-ray crystallography indicated that the distance between the two platinum(II) centers shrank upon deprotonation, thus causing a redshift in its room-temperature triplet metal-metal-to-ligand charge-transfer emission from 614 to 625 nm. Ab initio calculations revealed the presence of intramolecular hydrogen bonding between the deprotonated and negatively charged 1-pyrazolyl-N moiety and the methylene CH and phenyl C-H of the mu-dppm. The "open" configuration of the deprotonated Pt(2)dppm was estimated to be 19 kcal mol(-1) more stable than its alternative "closed" configuration. On the other hand, the open configuration of the deprotonated Pt(2)dchpm was 6 kcal mol(-1) less stable than its alternative closed configuration.
Evolution of Gene Order in the Genomes of Two Related Yeast Species (2001)

Changes in gene order between the genomes of two related yeast species, Saccharomyces cerevisiae and Saccharomyces bayanus var. uvarum were studied. From the dataset of a previous low coverage sequencing of the S. bayanus var. uvarum genome, 35 different synteny breakpoints between neighboring genes and two cases of local gene inversion were characterized in detail. The number and the type of the chromosomal rearrangements that have led to these differences were identified. We show that evolution of gene order in the genomes of these two yeast species is driven mainly by gene duplication onto different chromosomes followed by differential loss of the repeated copies. In addition, local gene inversions also would result from a mechanism of gene duplication, but in an inverted orientation, followed by loss of the original copy. The identification of traces of anciently duplicated genes, called relics, show that the loss of duplicates is more frequently caused by the accumulation of numerous mutations in one of the two copies than by DNA deletion. Surprisingly, gross chromosomal rearrangements such as translocations have only a minor effect on gene order reshuffling as they account for <10% of the synteny breakpoints.
Chemical modification of fluorinated self-assembled monolayer surfaces using low-energy ion beams for halogen and pseudohalogen transfer (1999)

Isocyanatosilane-derived cations, Si(NCO)n +, (n=1–4) were mass-selected and reacted with fluorinated self-assembled monolayer (F-SAM) surfaces at low collision energy (<100 eV). Examination of the scattered products revealed a variety of reactions from simple fluorine atom abstraction (e.g. formation of SiF+ ) to halogen–pseudohalogen exchange products (e.g. formation of SiF(NCO)2+ and SiF2(NCO)+ from Si(NCO)3+). Bare Si +• reacts predominantly by single F-atom abstraction, but small amounts of SiF2 +• and SiF3+ were also observed. The correlation of reactivity with thermochemistry and the role of the electronic configuration of projectile ions in multiple F-atom abstraction processes are discussed. Chemical modification of the F-SAM surface itself was shown to be a consequence of the ion–surface collisions. For example, in situ Xe+• chemical sputtering analysis of F-SAM surfaces exposed to Si(NCO)n+ ion beam bombardment revealed the presence of CF2NCO+ (m/z 92). This result suggests that NCO groups are incorporated into the fluorocarbon chains at the surface, probably via a pseudohalogen-by-halogen exchange mechanism. Surface modification was also achieved using the dicyanatochloromethyl cation, C(CN)2Cl +. Prolonged reactive collisions of C(CN) 2Cl+ upon a F-SAM surface led to the incorporation of both chlorine atom and cyanato groups into the surface, and these were released as CF2CN+ (m/z 76) and CF2Cl+ (m/z 85) on Xe+ • sputtering analysis. Isotopic labeling experiments confirmed Cl substitution into the surface fluorocarbon chains. Copyright © 1999 John Wiley & Sons, Ltd.
Rotational Coherence Spectroscopy and Structure of Naphthalene Trimer (1999)

We present the results of rotational coherence spectroscopy (RCS) experiments on jet-cooled naphthalene trimer. The RCS results, obtained by mass-selective, time-resolved ionization depletion, indicate that the species is an oblate symmetric top with rotational constants B = 167 ± 1 MHz and C = 141 ± 1 MHz. These constants are consistent with a cluster in which the long axes of three cyclically-arranged, symmetrically equivalent naphthalene moieties are parallel to one another and to the symmetry axis of the cluster. The distances between the centers of mass of the moieties in this structure are determined to be 4.925 ± 0.020 Å from the rotational constants. The results are consistent with ab initio and empirical force-field calculations of the species' structure (see Gonzalez and Lim, preceding Letter) and with the results of prior vibrational and vibronic spectroscopic studies.
Finite-element simulations of the effect of device design on channel temperature for AlGaN/GaN high electron mobility transistors (2011)

The effect of device design on maximum channel temperature for AlGaN/GaN high electron mobility transistors was investigated through finite element thermal simulations for dissipated power densities up to 5 W mm−1. The effects of substrate material, die size, and number of gate fingers were examined, as well as the divergence between maximum channel temperatures for two dimensional and three dimensional simulations. The maximum temperature increased as the die size decreased beyond a critical distance from the gates. The critical distance was dependent on the substrate material, with SiC requiring the smallest critical distance. At the maximum dissipated power, the temperature increased above ambient more than 300 °C for devices on sapphire substrates compared to an increase of 44 °C for devices on SiC substrates. As the number of gate fingers increased, the maximum channel temperature also increased, and a temperature gradient was observed along the gate width as well as between gate fingers.
A fast CPU/GPU ray projector for fully 3d list-mode PET reconstruction (2011)

List mode based image reconstruction is continuously gaining ground in PET imaging. The centerpiece of this reconstruction is the ray projector which unfortunately also represents the most time consuming part of the reconstruction process. Graphics processing units (GPU) represent today a cheap alternative to getting high computation power in medical imaging. However, only few GPU adapted methods have been proposed within the PET image reconstruction context, especially concerning the ray projector. In this work we propose and evaluate a new projector called DDA-ELL, which has the advantage of being applicable to both CPU and GPU architectures. The proposed projector was incorporated and evaluated within the 3D-OPLEM reconstruction algorithm implemented on both CPU and GPU architectures. Quantitative and qualitative performance evaluation was performed using simulated phantom and clinical datasets. We have shown that the proposed ray projector reconstructed images lead to improved noise and contrast characteristics compared to the widely used iterative Siddon approach. The speedup reached by the CPU version of our method compared to the iterative Siddon method was 11, while the GPU version was nearly 140 times faster.
Identification of hepatitis B virus–specific lymphocytes in human liver grafts from HBV-immune donors (2006)

Both animal and human studies have demonstrated the adoptive transfer of immunity against hepatitis B virus (HBV) through liver transplantation that may be attributed to the presence of HBV-specific immunocompetent cells of donor origin in liver grafts. In this study, we characterized the resident lymphocytes in 41 human liver grafts by immunohistochemical staining and flow cytometry and directly identified the intragraft HBV-specific lymphocytes in relation to the donor's and subsequent recipient's immunity using enzyme-linked immunospot assay. A significant number of HBV-specific T and B cells were detectable in 59.4% (19/32) and 28.1% (9/32), respectively, of liver grafts from HBV-immune donors. The presence of various HBV-specific lymphocytes was closely associated with each other and with a higher serum titer of antibody against hepatitis B surface antigen (anti-HBs) in donors (P < 0.05). After liver transplantation, 17 of 35 (48.6%) patients with chronic HBV infection showed a spontaneous anti-HBs production, which was significantly associated with a higher number of donor-derived T lymphocytes specific for hepatitis B surface antigen (P = 0.043). In conclusion, the presence of considerable numbers of donor-derived HBV-specific immunocompetent cells in grafts may account for the adoptive transfer of HBV immunity through liver transplantation.
A simple dynamical model of two-dimensional vesicles (1993)

Two-dimensional vesicles are modelled as pressurized self-intersecting rings. The fluctuating motion of the bounding walls of the vesicle, when it is subjected to the random collisions of fluid molecules, is treated along the lines suggested by Rouse (1953) in his study of dilute polymer solutions. Within the model, exact solutions of the dynamical equation governing the probability distribution of shapes, when expressed in an appropriate set of normal coordinates, is obtained. Numerical simulations of the dynamical evolution of the distribution of the principal components of the square of the radius of gyration are also presented.
Converted-Cell Focus Formation in Culture by Strain MC29 Avian Leukosis Virus. (1967)

SummaryInfection of chick embryo cell monolayers in high multiplicity with strain MC29 leukosis virus in conventional tissue culture induces rapid, massive morphological conversion within 4 to 7 days. Treatment of the cells in appropriately lower inoculation multiplicities results in the occurrence of infectious centers distinguished as foci of converted cells. When the infected cells are overlaid with agar, the number of foci occurring in 7 days is closely proportional to virus dose. This relationship is applicable to bioassay of strain MC29 leukosis virus with reproducibility and precision of results compatible with practical quantitative studies on the agent. The bioassay procedure and the rapid massive culture conversion make available a unique avian virus-tumor system for studies on cell-virus interrelationships in the induction of neoplasia.
Correction: A Comparison of Four-Year Health Outcomes following Combat Amputation and Limb Salvage (2017)

[This corrects the article DOI: 10.1371/journal.pone.0170569.].
Die Fulven-Route zum Pentaisopropylcyclopentadienid / The Fulvene Route to Pentaisopropylcyclopentadienide (1997)

Sodium tetraisopropylcyclopentadienide (2) is attacked selectively in 5-position by tosyl azide with formation of 5-diazo-1,2,3,4-tetraisopropylcyclopentadiene (1) and also by the iminium salt [Me 2 NC(H)OMe] + MeOSO 3 - to yield 1,2,3,4-tetraisopropyl-6-dimethylamino-pentafulvene (3) with concomitant methanol elimination. In a one pot reaction 3 adds methyllithium to form a cyclopentadienide intermediate (4) which is converted in situ to 1,2,3,4- tetraisopropyl-6-methyl-pentafulvene (5) with dimethylchlorosilane. By the same procedure with 1,4-dilithiobutane instead of methyllithium two tetraisoproylfulvene moieties are linked to the bis-fulvene 8 with a -(CH 2 ) 4 - backbone. 3 can be converted directly to 1,2,3,4- tetraisopropylpentafulvene (7) with diisobutylaluminum hydride. 5 again adds methyllithium to give lithium pentaisopropylcyclopentadienide (6) or can be deprotonated at the 6-methyl group with potassium hydride. The intermediate potassium salt gives 1,2,3,4-tetraisopropyl- 6-trimethylsilylmethyl-pentafulvene (9) with trimethylchlorosilane. The fulvene 7 could be η 6 -coordinated to the tricarbonyl chromium complex 10 with [Cr(CO) 3 (NCEt) 3 ], 5 and 7 yield the molybdenum analogues 11 and 12 with [Mo(CO) 3 (NCEt) 3 ].
Slotted-resonator gyrotron experiments (1991)

Gyrotron experiments in which a waveguide cavity with ten slots cut through the cavity wall is used have been conducted. The gyrotron used a magnetron injection gun operating at 65-75 kV and up to 10 A in 1- mu s pulsed operation. Both open configurations, where the radiation can partially leak out of the resonator through the slots, and a configuration where the radiation is trapped by a foil sheath wrapped around the outside of the resonator were used. The observed power levels, in the 10-kW range, are lower than the power generated with an unslotted cavity. The foil sheath configuration produced a result with nearly continuous frequency tuning observed in the frequency range of 186.3-200.6 GHz (7.47-8.04 T). The frequency pulling due to changes in the magnetic field at the cathode or at the resonator was significantly larger than has been typically observed in an unslotted cavity. Frequency tuning due to changes in the parallel electron beam velocity was observed. This device has potential applications in the development of an electronically tunable gyrotron source.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Size and shape matter! A multiscale molecular simulation approach to polymer nanocomposites (2012)

Multiscale molecular modelling (MsM) techniques are applied in many fields of material science, but it is particularly important in the polymer field, due to the wide range of phenomena occurring at different scales which influence the ultimate properties of the materials. In this context, MsM plays a crucial role in the design of new materials whose properties are influenced by the structure at the nanoscale. In this work we present the application of a multiscale molecular modelling procedure to characterize a different set of polymer-based nanocomposites (PNCs) obtained with full/partial dispersion of different nanofillers in different polymeric matrices. This approach relies on a step-by step message-passing technique from atomistic to mesoscale to finite element level, and the calculated results are compared to available experimental evidence. In detail, 13 PNC systems have been studied by different molecular modelling methods, such as atomistic molecular mechanics and molecular dynamics, mesoscale dissipative particles dynamics, and macroscale finite element methods, and their mechanical, thermal and barrier properties have been predicted in agreement with the available experimental data.
Opposite-strand RNAs from the 5' flanking region of the mouse dihydrofolate reductase gene. (1985)

We have characterized a transcription unit in the 5' flanking region of the mouse gene encoding dihydrofolate reductase (EC 1.5.1.3) that is oriented in the opposite direction to that of dihydrofolate reductase transcription. These opposite-strand RNAs are 180-240 nucleotides long, differing in length at their 5' ends. They are abundant in nuclear RNA and are not polyadenylylated. We suggest that the promoter region of the dihydrofolate reductase gene functions in a bidirectional manner to produce both these RNAs and dihydrofolate reductase mRNAs.
Ultrafast dynamics in field-enhanced saturable absorbers (1994)

Absorption recovery dynamics of GaAs/AlGaAs field-enhanced waveguide saturable absorbers are studied by pump-probe differential transmission measurements. We compare the response of bulk and single quantum well absorbers at different reverse bias levels and pump powers, and find an ultrafast transient in the response, followed by a slower rise before the final recovery. The absorption fully recovers after a few picoseconds, which is an important result for mode-locked lasers.
CHARACTERIZING THE ATMOSPHERES OF THE HR8799 PLANETS WITH <i>HST</i> /WFC3 (2015)

We present results from a Hubble Space Telescope (HST) program characterizing the atmospheres of the outer two planets in the HR8799 system. The images were taken over 15 orbits in three near-infrared (near-IR) medium-band filters - F098M, F127M, and F139M - using the Wide Field Camera 3. One of the three filters is sensitive to a water absorption band inaccessible from ground-based observations, providing a unique probe of the thermal emission from the atmospheres of these young giant planets. The observations were taken at 30 different spacecraft rolls to enable angular differential imaging (ADI), and the full data set was analyzed with the Karhunen-Loéve Image Projection routine, an advanced image processing algorithm adapted to work with HST data. To achieve the required high contrast at subarcsecond resolution, we utilized the pointing accuracy of HST in combination with an improved pipeline designed to combine the dithered ADI data with an algorithm designed to both improve the image resolution and accurately measure the photometry. The results include F127M (J) detections of the outer planets, HR8799b and c, and the first detection of HR8799b in the water-band (F139M) filter. The F127M photometry for HR8799c agrees well with fitted atmospheric models, resolving the longstanding difficulty in consistently modeling the near-IR flux of the planet.
[Sources of interference for cardiac pacemakers. Technical improvements of pacemakers--risks in the medical realm]. (1998)

Such new technologies are associated with potential problems for patients with pacemakers which have not yet been adequately investigated. External sources of interference may inhibit or, in the case of dual chamber devices, trigger, the pacemaker, change its program or cause thermal damage to electrode tips leading to elevation of the stimulation threshold, or may destroy both hardware and software components. To prevent such problems, protective measures such as screening, sensitivity filters, asynchronous stimulation, and the bipolar electrodes have been developed. Detection by the pacemaker of a constant source of interference automatically activates an anti-interference circuit providing a fixed stimulating frequency. In contrast, interference by a pulsed or strongly amplitude-modulated signal can inhibit pacemaker function for a lengthy period and thus cause symptoms and possibly syncope.
A membrane-delimited pathway of G-protein regulation of the guard-cell inward K+ channel. (1994)

GTP-binding protein (G-protein) regulation of inward rectifying K+ channels in the plasma membrane of Vicia (Vicia faba L.) guard cells has previously been demonstrated at the whole-cell level. However, whether a cytosolic signal transduction chain is required for G-protein regulation of K+ channels in Vicia guard cells, or in any plant cell type, remains unknown. In the present study, we assayed effects of several G-protein regulators on inward K+ channels in isolated inside-out membrane patches from Vicia guard cell protoplasts. Guanosine 5'-[gamma-thio]triphosphate, a nonhydrolyzable GTP analog that locks G proteins into their activated state, decreased the open state probability (Po) of single inward K+ channels. This decrease in Po was accompanied by an increase in one of the closed time constants of the K+ channel. Guanosine 5'-[beta-thio]diphosphate, a GDP analog that locks G proteins into their inactivated state, slightly increased the Po of the inward K+ channel and shortened the closed time constants. Pertussis toxin and cholera toxin, which ADP-ribosylate G proteins at different sites, decreased the Po of the inward K+ channel. Our data indicate that G proteins can act via a membrane-delimited pathway to regulate inward K+ channels in the guard-cell plasma membrane.
Electrode–Electrolyte Interface in Li-Ion Batteries: Current Understanding and New Insights (2015)

Understanding reactions at the electrode/electrolyte interface (EEI) is essential to developing strategies to enhance cycle life and safety of lithium batteries. Despite research in the past four decades, there is still limited understanding by what means different components are formed at the EEI and how they influence EEI layer properties. We review findings used to establish the well-known mosaic structure model for the EEI (often referred to as solid electrolyte interphase or SEI) on negative electrodes including lithium, graphite, tin, and silicon. Much less understanding exists for EEI layers for positive electrodes. High-capacity Li-rich layered oxides yLi2–xMnO3·(1–y)Li1–xMO2, which can generate highly reactive species toward the electrolyte via oxygen anion redox, highlight the critical need to understand reactions with the electrolyte and EEI layers for advanced positive electrodes. Recent advances in in situ characterization of well-defined electrode surfaces can provide mechanistic insights an...
Is the apocrine milk secretion process observed in the goat species rooted in the perturbation of the intracellular transport mechanism induced by defective alleles at the ?<sub>s1</sub>-Cn locus? (2002)

The structural and quantitative variability of caprine alpha(s1)-casein induced by the extensive polymorphism recorded at the corresponding locus strongly influences the composition (proteins as well as lipids) and the technological behaviour of milk. Immuno-histo-chemistry studies coupled with electron microscopy analysis have shown that a dysfunction exists in the intracellular transport of caseins when alpha(s1)-casein is lacking. Casein accumulation in the endoplasmic reticulum leads to a dilation of the cisternae that could disturb the whole secretion process (including lipids). Despite a long controversy, goat milk secretion is still considered to occur through an apocrine process contrary to the merocrine process described for cow's milk. We suggest that the apocrine pathway of secretion described in the goat could be the consequence of the dysfunction observed in the intracellular transport of caseins when alpha(s1)-casein is lacking. To obtain further clues in the favour of such a hypothesis, we compared the protein and lipid fractions of milks from goats homozygous for different alpha(s1)-casein alleles.
Butt-jointed DBR laser with 15 nm tunabilitygrown in three MOVPE steps (1995)

InGaAsP/InP butt-jointed, buried ridge DBR lasers, exhibiting a record 15 nm tuning range, have been realised using only a three-step MOVPE process. The highest number (38) ever reported of regularly spaced wavelength channels is obtained from a two-section DBR laser, in which the passive waveguide was optimised in terms of carrier-induced effective index change and active-passive coupling efficiency.
Recurrent bleeding from cutaneous venous collaterals in portal hypertension. (1988)

In portal hypertension, three types of cutaneous portosystemic collaterals may develop: the 'classical' caput Medusae, enterostomal varices and scar or adhesion-related abdominal collaterals. Two patients were treated with severe and recurrent bleeding from adhesion-related collaterals, a complication not reported previously. In the first patient bleeding was only controlled by mesocaval shunt operation; the second patient suffered no further recurrence after local sclerotherapy.