gebhart/patrepeval huggingface dataset:
Zinc‐[7]helicenocyanin und sein diskretes π‐gestapeltes homochirales Dimer (2021)

Abstract In dieser Publikation stellen wir einen neuartigen Ansatz zur Herstellung eines diskreten Dimers aus chiralem Phthalocyanin (Pc) vor, wobei wir die flexible Molekülgeometrie von Helicenen nutzen, die eine strukturelle Vernetzung und eine starke Aggregationstendenz von Pcs ermöglicht. Die synthetisierte [7]Helicen‐Pc‐Hybrid‐Molekularstruktur, Zink‐[7]Helicenocyanin (Zn‐7HPc), bildet ausschließlich ein stabiles Dimer aus zwei homochiralen Molekülen. Die Dimerisierungskonstanten wurden auf 8.96×10 6 M −1 bzw. 3.42×10 7 M −1 in THF bzw. DMSO geschätzt, was auf eine bemerkenswerte Stabilität des Dimers hindeutet. Darüber hinaus zeigt Zn‐7HPc ein chirales Selbstorganisationsverhalten, so dass sich auch in der racemischen Probe bevorzugt ein homochirales Dimer bildet. Die zwei Phthalocyanin‐Untereinheiten in der dimeren Form interagieren stark miteinander, was sich in einer großen Komproportionierungskonstante und der Beobachtung einer IV‐CT‐Bande für den thermodynamisch stabilen gemischt‐valenten Zustand zeigt.
A Total Synthesis Trilogy: Calicheamicin γ1I, Taxol®, and Brevetoxin A (2012)

Detailed behind-the-scenes accounts of the total syntheses of calicheamicin γ(1)(I), Taxol(®), and brevetoxin A are discussed with particular emphasis placed on strategies and tactics employed in these campaigns.
Evidence for Conduction Electron-Intramolecular Vibration Interaction in a Platinum Chain Salt (1982)

Abstract Polarized reflectance measurements on K1.75 Pt(CN)4·1.5H2O, or K(def)CP reveal that there is a deep indentation in the chain-axis reflectance at a substantially lower frequency (1725 cm−1) than the ordinary C [mddot] N stretching frequency (2180 cm-1). The frequency-dependent conductivity, found by Kramers-Kronig analysis of the reflectance, has a deep antiresonance at about the same frequency. This structure is attributed to a phase-phonon mode of the coupled electron-intramolecular vibration system. These data provide the first direct evidence for the importance of the interaction of the conduction electrons with molecular vibrations in a metal chain compound. The dimensionless electron phonon coupling constant is estimated to be Λ ~ 0.28, a result which suggests that this interaction might be important for stabilizing the Peierls distortion in K(def)CP and that it might influence the dc conductivity of the material. In summary, we have found the first direct evidence for the coupling of intramolecular vibrations to the conduction electrons in an inorganic Pt chain salt. This coupling has important consequences for the Peierls transition in K(def)CP as well as for the optical and transport properties.
Antibiotics at birth and later antibiotic courses: effects on gut microbiota (2021)

Infants are commonly exposed to IAP and postnatal antibiotics, and later to courses of antibiotics during the first year of life. Perinatal antibiotics have been associated with an altered gut microbiota during the first months of life, whereas the evidence regarding the long-term impact is more limited. Perinatal antibiotic exposure had a marked impact on the infant's gut microbiota at 1 year of age. Impact of the perinatal antibiotics on the gut microbiota composition was greater than that of the later courses of antibiotics at the age of 1 year.
Stereospecific polymerization of isobutyl vinyl ether by AlR3–VCln catalysts. I. Influence of preparative conditions of the catalysts (1970)

Abstract The polymerization of isobutyl vinyl ether by the VCl n –AIR 3 system was carefully studied. The vanadium components were prepared by the reaction between VCl 4 and AlEt 3 or n ‐BuLi as a reducing agent. VCl 3 ·LiCl and VCl 2 ·2LiCl are the effective catalysts for the stereospecific polymerization of isobutyl vinyl ether. When VCl 3 ·LiCl is combined with AlR 3 , a new catalytic system is formed. The effect of the preparative conditions of the various vanadium component in the AlR 3 –VCl n system shows that the effective vanadium component is trivalent. In the polymerization by VCl 3 ·LiCl–Al ( i ‐Bu) 3 system, a change of the polymerization mechanism may occur at Al( i ‐Bu) 3 /VCl 3 ·LiCl ratio at around 5. When the ratio is lower than 5, a cationic polymerization by VCl 3 ·LiCl takes place predominantly, while at ratios higher than 5, it is suggested that the polymerization proceeds by means of a VCl 3 ·LiClA–Al( i ‐Bu) 3 complex by a coordinated anionic mechanism. The polymers obtained by these catalysts are highly crystalline. Styrene was also polymerized by using the same catalysts. VCl 3 ·LiCl and VCl 3 ·LiCl–THF complex yielded amorphous polymer by cationic polymerization. When VCl 3 ·LiCl was combined with 6 mole‐eq of Al( i ‐Bu) 3 , the resulting polystyrene was highly crystalline and had an isotactic structure, while the VCl 2 ·2LiCl–Al( i ‐Bu) 3 (1:6) system yielded traces of polymer of extremely low stereoregularity. The results indicate that the effective vanadium component at Al/V ≧ 6 is trivalent and that the mechanism is a coordinated anionic one.
The oxidation behaviour of the 9 % Cr steel P92in CO2- and H2O-rich gases relevant to oxyfuel environments (2010)

Abstract In oxyfuel plants metallic heat exchanging components will be subjected to service environments containing high amounts of CO 2 and water vapour. In the present paper, the oxidation behaviour of the ferritic/martensitic 9 % Cr steel P92 was studied in a model gas mixture containing 70 % CO 2 -30 % H 2 O in the temperature range 550 – 650 °C. The results were compared with the behaviour in air, Ar–CO 2 and Ar–H 2 O. In the CO 2 - and/or H 2 O-rich gases, the steel formed iron-rich oxide scales which possess substantially higher growth rates than the Cr-rich surface scales formed during air exposure. The iron-rich oxide scales are formed as a result of a decreased flux of chromium in the bulk alloy toward the surface. This is the result of enhanced internal oxidation of chromium in the H 2 O-containing gases and carburisation in the CO 2 gases. The oxide scales allow molecular transport of CO 2 towards the metallic surface, resulting in carburisation of the alloy. The presence of water vapour induced buckling in the outer haematite layer, apparently as a result of compressive oxide growth stresses. Buckling did not occur in the H 2 O-free gas. This has been discussed in terms of the potential for H 2 O to increase growth stresses and accelerate crack propagation. The oxidation rates in CO 2 –H 2 O do not seem to be higher than those observed in flue gases of conventional fossil fuel fired power plants.
Game Theory-Based Modeling of Multi-Vehicle/Multi-Pedestrian Interaction at Unsignalized Crosswalks (2022)

&lt;div class="section abstract"&gt;&lt;div class="htmlview paragraph"&gt;The improvement of road transport safety requires the development of advanced vehicle safety systems, whose development could be facilitated by using complex interaction models of different road users. To this end, this paper deals with the modeling of multi-vehicle/multi-pedestrian interactions at unsignalized crosswalks. This multi-agent modeling approach extends on the existing basic model covering only single-vehicle/single-pedestrian interactions. The basic model structure and parameters have remained the same, as it was previously experimentally calibrated and thoroughly verified. The proposed modeling procedure employs the basic model within the multi-agent setting based on its application to relevant single-vehicle and single-pedestrian pairs. The resulting, so-called pre-decisions are then used for making final crossing decisions in a current time step for each agent. During the decision making process, each pedestrian takes into account approaching vehicles and their expected future behavior with respect to all pedestrians (i.e., himself/herself and other pedestrians), and vice versa for vehicles. This generalized multi-agent model is conceived to support simulation scenarios concerning multi-lane roads and pedestrians approaching from both sides of a road, as well. The model is verified by means of large-scale simulations and various scenarios.&lt;/div&gt;&lt;/div&gt;
The influence of nitric oxide on in vivo human skeletal muscle properties (2000)

We have investigated the action of exogenous nitric oxide (NO) on the strength and contractile properties of human skeletal muscle working in vivo. Maximum isometric voluntary contraction force (MVC) of the quadriceps was measured and superimposed electrical stimulation was used to estimate the level of activation and 'true maximum force' (TMF). Force-frequency relationships were determined to assess changes in contractile properties of the muscle. Subjects in the experimental group (E, n=10) were measured before and during two separate periods of treatment with different doses of glyceryl trinitrate, a NO donor, delivering 100 (GTN100) or 200 (GTN200) microg h-1 as a trans-dermal patch. A control group (C, n=6) was measured during two similar periods whilst taking an oral placebo. There was a significant increase in strength with GTN200 (MVC: +5. 15%; TMF: +3.87%). There was no change in the strength of group C. There was a trend towards reduced forces at submaximal frequencies with GTN administration but the most notable change was a decline in twitch force (approximately 12%, P < 0.05) with GTN100 treatment and this remained depressed throughout the study. No changes were seen in the contractile properties of the control group C. The present results show that GTN treatment increased maximum voluntary strength but decreased twitch tension. The time course and dose-response characteristics indicate that these are two separate actions of NO on human muscle working in vivo.
Endosperm and whole grain rye breads are characterized by low post-prandial insulin response and a beneficial blood glucose profile (2009)

Our study shows that endosperm and whole grain rye products induce low acute insulinaemic responses and improved glycaemic profiles. The results also suggest that the rye products possess beneficial appetite regulating properties. Further studies are needed to identify the unknown property or bioactive component(s) responsible for these beneficial metabolic features of rye.
Radar sensing of heartbeat and respiration at a distance with applications of the technology (1997)

This paper describes a system capable of detecting the human heartbeat and respiration heartbeat without any physical connection to the subject. This system, called the radar vital signs monitor (RVSM) was developed by researchers at the Georgia Tech Research Institute (GTRI). Human heartbeat and respiration signatures have been measured at ranges exceeding 10 meters using the RVSM. During the 1996 Olympics, a variant of the RVSM was developed for the assessment of performance of athletes in the archery and rifle competitions. The use of the system for a telemedicine application is being considered. When elderly patients are incapable of attaching a vital signs monitor to their body when using a home telemedicine system, the RVSM should prove useful. Burn victims having no skin to which heart monitoring electrodes can be attached are also candidates for use of the RVSM. Use of the RVSM in security applications is also being explored. This paper discusses the developmental history and background of the system and the applications that are being considered for commercialization of the RVSM concept.
Monitoring bioremediation in creosote-contaminated soils using chemical analysis and toxicity tests (2000)

Three soils with a history of creosote contamination (designated NB, TI and AC) were treated in bench-scale microcosms using conditions (nutrient amendment, moisture content and temperature) which had promoted mineralization of 14C-pyrene in a preliminary study. Bioremediation was monitored using the solid-phase Microtox test, seed germination and earthworm survival assays, SOS-chromotest, Toxi-chromotest and a red blood cell (RBC) haemolysis assay. Contaminant concentrations in the AC soil did not change after 150 days. Polycyclic aromatic hydrocarbon (PAH) concentrations decreased in the NB soil, and toxicity decreased overall according to the earthworm, seed germination and Microtox tests. Although total petroleum hydrocarbons (TPHs) in the TI soil were reduced following treatment, results of the earthworm, seed germination, RBC and Microtox tests suggested an initial increase in toxicity indicating that toxic intermediary metabolites may have formed during biodegradation. Toxicity testing results did not always correlate with contaminant concentrations, nor were the trends indicated by each test consistent for any one soil. Each test demonstrated a different capacity to detect reductions in soil contamination. Journal of Industrial Microbiology & Biotechnology (2000) 24, 132–139.
Beating-heart approach and moderately delayed surgical management of postinfarction ventricular septal rupture: an advisable approach to improve results? (2005)

Early repair of postinfarction ventricular septal rupture is usually associated with significant mortality and morbidity. Assessing conditions to moderately delay the surgical intervention and reduce cardioplegic arrest may be an interesting approach to improve hospital results. Results of five non-selected patients in whom surgery was moderately delayed and performed according a policy of reducing the cardioplegic-induced ischemia were reviewed. Surgical options are discussed as well as observed advantages.
Paper Session II-B - Performance Status of the Mars Environmental Compatibility Assessment Electrometer (2001)

The Mars Environmental Compatibility Assessment electrometer is an instrument intended to fly on a future Mars lander mission. The electrometer was designed primarily to investigate (1) the electrostatic interaction between the Martian soil and five different types of insulators attached to the electrometer, which are to be rubbed over the Martian soil. The MECA Electrometer is also capable of measuring (2) the presence of charged particles in the Martian atmosphere, (3) the local electric field strength, and (4) the local temperature. We have tested and evaluated the measurement capabilities of the MECA Electrometer under simulated Martian surface conditions using facilities located in the Electromagnetic Physics Testbed at KSC. The results of the study have demonstrated that rubbing an insulator over the Martian soil simulant does triboelectrically charge up the insulator's surface. However, the charge buildup on an insulator was found to be as low as 1% of the current maximum range of the electrometer when it is rubbed through Martian soil. This indicates that the overall gain of the MECA Electrometer could be increased by a factor of 50, if measurements at the 50% level of full-range sensitivity are desired. The ion gauge, which detects the presence of charged particles, was also evaluated over the pressure range 13 - 533 mbar, and results will be presented.
Relationship between dislocation density and contact angle of dendrite crystals in practical size silicon ingot (2015)

We suggested the possibility to suppress dislocation generation by controlling the microstructure of dendrite crystals in practical size Si wafers grown by the floating cast method. With the floating cast method, the contact angle between adjacent dendrite crystals can be used as a structural parameter to define grain boundaries (GBs). We fabricated a practical size silicon ingot fully covered with dendrite crystals and investigated dislocation density near the GBs as a function of the contact angle. The dislocation density was found to decrease with decreasing contact angle. This result can be explained by differences in shear stress on {111} slip surface around the GBs, as supported by numerical calculations considering various structural parameters in multicrystalline Si. These results confirm our previous results with laboratory-scale ingots, and we believe this concept can be applied to commercial growth processes.
Dirac Matrices and Feynman’s Rest of the Universe (2012)

There are two sets of four-by-four matrices introduced by Dirac. The first set consists of fifteen Majorana matrices derivable from his four γ matrices. These fifteen matrices can also serve as the generators of the group SL(4, r). The second set consists of ten generators of the Sp(4) group which Dirac derived from two coupled harmonic oscillators. It is shown possible to extend the symmetry of Sp(4) to that of SL(4, r) if the area of the phase space of one of the oscillators is allowed to become smaller without a lower limit. While there are no restrictions on the size of phase space in classical mechanics, Feynman’s rest of the universe makes this Sp(4)-to-SL(4, r) transition possible. The ten generators are for the world where quantum mechanics is valid. The remaining five generators belong to the rest of the universe. It is noted that the groups SL(4, r) and Sp(4) are locally isomorphic to the Lorentz groups O(3, 3) and O(3, 2) respectively. This allows us to interpret Feynman’s rest of the universe in terms of space-time symmetry.
AIDS in a Hemophiliac Child Transmitted by Cryoprecipitate and with Negative HIV Antibodies by Western Blot (1990)

We report a 3-year-old hemophiliac child who became infected with human immunodeficiency virus (HIV) from cryoprecipitate treatments and subsequently developed acquired immunodeficiency syndrome (AIDS). Though evidence of HIV infection was suggested by the presence of anti-HIV antibodies by enzyme-linked immunosorbent assay, the Western blot assay was negative. A second confirmatory test for HIV antibodies, flow cytometric immunofluorescence assay (FIFA), was performed demonstrating specific anti-HIV antibodies. This patient with clinical and immunological manifestations of AIDS illustrated that the diagnosis should not be discounted because of the failure to demonstrate anti-HIV antibodies by the Western blot assay and also demonstrated the utility of the FIFA as a more sensitive confirmatory assay of specific anti-HIV antibodies.
Isolating the angular harmonic of the indirect tilt after-effect (2010)

The Angular Harmonic (AH) at which Indirect Tilt After-Effects (TAEs) oscillate provides an important cue in revealing the underlying mechanism(s) responsible for the bias. Assuming that Direct but not Indirect TAEs are tuned for spatial frequency, we estimated the AH for Indirect TAEs using adapt and test gratings whose spatial frequency differed by 25% and whose temporal frequency (TF) was either 0 Hz or 18 Hz. The adapt and test contrasts were 60% and 30% respectively and their relative orientations were varied between 0° and 90°. Subjects reported whether the test grating's perceived orientation was rotated clockwise or anti-clockwise about vertical. At low adapt TFs, the AH of Indirect TAEs was estimated at 4 cycles per full circle, while at the higher adaptor TF, the AH was noisier but nearer to 2. Our results are consistent with the idea that Indirect TAEs arise from the adaptation of mechanisms preferentially selective for orthogonal orientations.
Reduction in Direction Discrimination With Age and Slow Speed Is Due to Both Increased Internal Noise and Reduced Sampling Efficiency (2013)

There is motion sensitivity loss with age that arises from an increase in internal noise in the responses of directional sensors and a decrease in responses that contribute to the global decision. Differences in the rates of progression at each speed indicate that motion is processed by independent systems tuned to different speeds, and that the channel for slow speed may be more vulnerable to normal age-related changes.
Posttreatment FDG-Avid Splenic Lesions in DLBCL and HD (2020)

Residual end of treatment (EOT) FDG-avid lesions are often due to infectious or inflammatory process and not due to refractory lymphoma. Nonetheless, such lesions prompt diagnostic and therapeutic interventions. We evaluate clinical and radiological characteristics of patients with EOT FDG-avid splenic lesions. Comparing metabolic volume (MV) ratio between EOT to interim, showed a marked difference between false positive and true positive lesions (0.5 vs 3.6, P = 0.02). EOT SUVmax was also significantly different between the groups (7 vs. 19, P = 0.02). We suggest EOT/interim-MV ratio as a tool to identify patients at low risk of refractory disease allowing non-invasive surveillance.
<title>Reflectivities and electronic band structure of Hg0.8Cd0.2Te</title> (1996)

The fundamental reflectivity spectrum of Hg0.8Cd0.2Te have been investigated. The feature of the spectra is the presence of E1 and E2 peaks with the fundamental absorption region. The lower energy peak can be split into a doublet (E1 and E1 + (Delta) 1). A 3D saddle point is used to fit the E1 and E1 + (Delta) 1 critical point and some simulated calculation is done for E2 at X point. The calculated results are compared with the measured results and prominent features of the dielectric spectra are identified with critical-point transition at the (Lambda) and X points in the Brillouin zone.© (1996) COPYRIGHT SPIE--The International Society for Optical Engineering. Downloading of the abstract is permitted for personal use only.
Monte Carlo simulations of p- and n-channel dual-gate Si MOSFET's at the limits of scaling (1993)

Previous work which used the Monte Carlo model DAMOCLES to explore the limits of scaling for n-channel Si MOSFETs is extended to include p-channel Si MOSFETs and quantization effects in the n-channel FETs. The previously published n-channel results (see D.J. Frank et al., 1992) have been resimulated taking into account the quantization of the electrons in the very narrow channel using the quantum capabilities in DAMOCLES. Because of the double-gated structure of these devices, the quantized levels extend to well above the 1 eV achieved by hot electrons, a regime in which the full band structure ought to be used. Since quantization of the full band structure is not practical, the calculations have been carried out in both parabolic and first-order nonparabolic approximations, to evaluate the differences. The two methods differ by up to 30%, with the parabolic case showing higher currents and carrier velocities. The nonparabolic case, which is thought to be more reliable, shows a approximately 15% increase in current compared to the nonquantum simulations, and has a lower source-to-drain resistance of 0.19 Omega mm, indicative of a higher channel mobility.
Synthesis, characterization, and electronic structure of few-layer MoSe2 granular films (2014)

Few-layer MoSe2 granular films were prepared using rapid thermal processing (RTP) of stacked elemental layers (SELs) deposited using electron beam evaporation in the sequence of Mo/Se/Mo. RTP was carried out at various temperatures ranging from 550 to 750 °C, and durations ranging from 90 to 150 s. Morphology and microstructure of granular thin films were characterized by atomic force microscopy and scanning electron microscopy. Compositional and electronic structure analysis of the films were done by X-ray photoelectron, photoluminescence and Raman spectroscopy. The results confirmed the formation of four-layer MoSe2 granular thin films at 750 °C for 90 s. Density functional theory calculations showed that the direct gap at K is near degenerate with the calculated indirect band gap in the 4L structure. In addition to RTP, Raman laser annealing (RLA) was performed on SELs with various laser powers. Raman spectroscopy results reveal the local formation of MoSe2 with increasing laser energy.