gebhart/patrepeval huggingface dataset:
Ortho-Linked Polyaryloxide Ligands and Their Titanium Complexes (2000)

Ortho-linked polyphenols, quaterphenol L(OH)4, and moderately hindered terphenol PhL(OH)3 are developed as new multidentate polyaryloxide ligands for transition-metal chemistry. The polyphenols are synthesized using ortho-metalation and metal-catalyzed cross-coupling methodologies; the synthetic routes allow for facile electronic and steric modification of the basic ligand design. The Ti(IV) coordination chemistry of these ligands reveals a diverse collection of bridged structures: dimeric [Ti(mu-PhLO3)(OiPr)]2 (P2(1)/n, a = 12.2699(5) A, b = 11.7957(5) A, c = 21.238(1) A, beta = 94.551(1) degrees, Z = 2, T = 170(2) K), dimeric [Ti2(mu-PhLO3)2(mu-Cl)(Cl)(THF)] (P1, a = 11.212(1) A, b = 14.165(1) A, c = 22.447(2) A, alpha = 90.440(4) degrees, beta = 93.345(4) degrees, gamma = 111.164(4) degrees, Z = 2, T = 170(2) K), and trimeric [Ti3(mu,mu'-LO4)(mu-OiPr)2(OiPr)6] P2(1)/n, a = 11.1022(5) A, b = 18.7015(9) A, c = 24.409(1) A, beta = 95.369(2) degrees, Z = 4, T = 170(2) K). The reaction of TiCl3(THF)3 with [PhLO3]3- results in oxidation of Ti(III) to Ti(IV) and formation of the oxo dimer [Ti(PhLO3)(THF)]2(mu-O) (P1, a = 10.8649(6) A, b = 12.1882(7) A, c = 14.3349(9) A, alpha = 65.602(3) degrees, beta = 84.390(3) degrees, gamma = 86.582(3) degrees, Z = 1, T = 200(2) K); the oxo group presumably originates from the THF solvent. The titanium centers in these environments are either 5- or 6-coordinate, with distorted square pyramidal/trigonal bipyramidal and distorted octahedral geometries, respectively; the polyphenoxide chelate ligands are capable of bridging multiple oxophilic titanium sites.
Recent Advances in Triboelectric Nanogenerators for Marine Exploitation (2023)

Abstract The ocean, as one of the most important areas for human production and living, plays a vital role in transportation, food production, and energy supply. However, it is greatly desired to develop relevant advanced technologies to achieve efficient and safe ocean exploitation and utilization. The advanced triboelectric nanogenerator (TENG), which can transform mechanical motion into electric energy to achieve the harvesting of related mechanical energy and obtain corresponding mechanical motion characteristics by the corresponding electronic signal, is a significant choice to develop the corresponding advanced technologies for marine exploitation. According to the application field, TENG based marine exploitation researches can be divided into three kinds of researching directions, which contain the in situ ocean energy harvesting, self‐powered ocean monitoring, and self‐powered marine electrochemical technologies. The latest representative research works, which are based on TENG technology for marine exploitation, are classified in detail and summarized comprehensively in this review. More importantly, the specific prospects of TENG in the marine exploitation are discussed in detail to promote future research.
VIDEOPLACE---an artificial reality (1985)

The human-machine interface is generalized beyond traditional control devices to permit physical participation with graphic images. The VIDEOPLACE System combines a participant's live video image with a computer graphic world. It also coordinates the behavior of graphic objects and creatures so that they appear to react to the movements of the participant's image in real-time. A prototype system has been implemented and a number of experiments with aesthetic and practical implications have been conducted.
China to halt using executed prisoners’ organs for transplants: a step in the right direction in medical ethics (2015)

On 1 January 2015 the Chinese government announced banning the use of organs from executed prisoners for transplantation, which has been received by the Chinese public with ambiguity. On one hand, this decision is a great step forward in China's human rights record because it reflects the public's concerns about protection of prisoners’ human rights. The Chinese government positively responded to increasing international concerns about this widely denounced practice. On the other hand, it will further enlarge the gap between the supply of human organs for transplantation and the huge demand for it. Facing long-time international criticism, boycott-related academic activities and uncertainty about China’s future …
Continuum Solvent Modeling of Nonpolar Solvation:  Improvement by Separating Surface Area Dependent Cavity and Dispersion Contributions (2003)

Continuum models are frequently used to calculate hydration properties of organic and biomolecules and to estimate its dependence on conformation and association. Often a single surface tension parameter has been used to estimate nonpolar solvation contributions from the solvent accessible surface of a molecule. The assumption of a uniform surface tension parameter is based on the observation that for linear alkanes free energies of hydration (vacuum to water transfer free energies) increase (approximately) linearly with the solvent accessible surface area (SAS). However, this correlation for example does not hold for the vacuum to water transfer of cyclic alkanes. The transfer of a nonpolar solute from vacuum to water can be formally split into a contribution due to cavity formation which involves a redistribution and reordering of water molecules and changes in water−water interaction and second van der Waals (dispersion) interactions between solute and water. In the present study, the solute solvent dispersion contribution has been calculated using a surface integral continuum approach (Floris, F.; Tomasi, J. J. Comput. Chem. 1989, 10, 616−627). Combined with a cavity contribution that has been assumed to be proportional to the solvent accessible surface area calculated hydration free energies for linear, branched and cyclic alkanes are in significantly better agreement with experiment than using a pure SAS model. In addition, the calculated changes of hydration free energies upon alkane conformational changes agree much better with results of explicit solvent simulations compared to a model that employs a single surface tension parameter.
Thermal adjustments to nonexertional heat stress in mature and senescent Fischer 344 rats (1990)

The purpose of this study was to test the hypothesis that the rise in colonic temperature (Tc) during nonexertional heat stress is exaggerated in senescent (SEN, 24 mo, n = 12) vs. mature (MAT, 12 mo, n = 15) conscious unrestrained Fischer 344 rats. On 2 separate days (48 h apart) each SEN and MAT animal was exposed to an ambient temperature (Ta) of 42 degrees C (relative humidity 20%) until a Tc of 41 degrees C was attained and then cooled at a Ta of 26 degrees C until Tc returned to the initial control level. Control Tc was similar in the two groups for both trials. The rate of Tc change during heating was 63% greater (0.070 +/- 0.005 vs. 0.043 +/- 0.004 degrees C/min, P less than 0.05) and the time to 41 degrees C reduced by 36% (54 +/- 6 vs. 85 +/- 10 min, P less than 0.05) in MAT vs. SEN animals during the first exposure, although the cooling rate was slower in the MAT (0.048 +/- 0.004 degrees C/min) vs. SEN (0.062 +/- 0.006 degrees C/min) animals (P less than 0.05). The heating rate was unchanged in MAT animals between trials 1 and 2. However, SEN animals had a 95% increase in heating rate in trial 2 compared with trial 1 (P less than 0.05), and the corresponding time to 41 degrees C was decreased by 44% (P less than 0.05). As a result, rate of heating and time to 41 degrees C were similar in the two groups during trial 2. The cooling rate was similar between trials within each group.(ABSTRACT TRUNCATED AT 250 WORDS)
Number of Cervical Biopsies and Sensitivity of Colposcopy (2006)

Colposcopy with guided biopsy or biopsies detects approximately two thirds of CIN 3+. Although the sensitivity of the procedure does not differ significantly by type of medical training, it is greater when two or more biopsies are taken.
MAMoC: Multisite Adaptive Offloading Framework for Mobile Cloud Applications (2017)

This paper presents MAMoC, a framework which brings together a diverse range of infrastructure types including mobile devices, cloudlets, and remote cloud resources under one unified API. MAMoC allows mobile applications to leverage the power of multiple offloading destinations. MAMoC's intelligent offloading decision engine adapts to the contextual changes in this heterogeneous environment, in order to reduce the overall runtime for both single-site and multi-site offloading scenarios. MAMoC is evaluated through a set of offloading experiments, which evaluate the performance of our offloading decision engine. The results show that offloading computation using our framework can reduce the overall task completion time for both single-site and multi-site offloading scenarios.
The Concise Guide to PHARMACOLOGY 2013/14: Overview (2013)

The Concise Guide to PHARMACOLOGY 2013/14 provides concise overviews of the key properties of over 2000 human drug targets with their pharmacology, plus links to an open access knowledgebase of drug targets and their ligands (www.guidetopharmacology.org), which provides more detailed views of target and ligand properties from the IUPHAR database. The full contents can be found at http://onlinelibrary.wiley.com/doi/10.1111/bph.12444/full. This compilation of the major pharmacological targets is divided into seven areas of focus: G protein-coupled receptors, ligand-gated ion channels, ion channels, catalytic receptors, nuclear hormone receptors, transporters and enzymes. These are presented with nomenclature guidance and summary information on the best available pharmacological tools, alongside key references and suggestions for further reading. A new landscape format has easy to use tables comparing related targets. It is a condensed version of material contemporary to late 2013, which is presented in greater detail and constantly updated on the website www.guidetopharmacology.org, superseding data presented in previous Guides to Receptors & Channels. It is produced in conjunction with NC-IUPHAR and provides the official IUPHAR classification and nomenclature for human drug targets, where appropriate. It consolidates information previously curated and displayed separately in IUPHAR-DB and GRAC and provides a permanent, citable, point-in-time record that will survive database updates.
Characterization of chemically etched indium phosphide surfaces with light scattering (2007)

Scattering of light from chemically etched InP surfaces is studied in the present paper. A model is developed to describe the randomly rough surfaces produced by chemical etching and this model is used in a numerical simulation using the Kirchhoff approximation to calculate the scattered intensity distribution from the surfaces. Comparisons between the numerical results and experimental measurements for an incident wavelength of 633 nm show good agreement. Numerical simulation results are presented to show the variation of the scattered intensity distribution for surfaces with different times of chemical etching. These results are useful for characterization or control of this type of surface.
Direct torque control of open-end winding induction motor drive using the concept of imaginary switching times for marine propulsion systems (2005)

This paper proposes a control strategy for marine propulsion systems using the open-end winding configuration of induction motor. It uses the concept of imaginary switching times for space vector pulse width modulation (SVPWM) with direct torque control (DTC). The imaginary switching times greatly simplifies the algorithm. This method also eliminates the procedure for identifying the region for space voltage vector. Also, it does not require the sectors and angle identification of the voltage vector. Two independent two-level inverters feed power from both the ends of the three-phase stator windings. This applies a 3-level line voltage waveform to the machine. This reduces the torque ripple with improvement in current spectrum. In order to restrict the zero sequence currents, two isolated DC sources are considered. Simulation studies have been carried out for the proposed scheme. Experimental results have been presented to validate the viability of the scheme.
Supplementary Data from Synergy between EphA2-ILs-DTXp, a Novel EphA2-Targeted Nanoliposomal Taxane, and PD-1 Inhibitors in Preclinical Tumor Models (2023)

&lt;p&gt;Supplemental figures 1, 2, and 3 and supplemental tables 1 and 2, showing the antitumor activity of EphA2-ILS-DTXp and the pharmacokinetics in multiple murine tumor models.&lt;/p&gt;
Applying Sandia nuclear research for fun and profit in the oil industry. (2014)

Abstract not provided.
Atomic-Scale Quantum Solvation Structure in Superfluid Helium-4 Clusters (1999)

The local superfluid density around a molecule embedded in a ${}^{4}{\mathrm{He}}_{N}$ cluster at low temperatures is analyzed using the path-integral Monte Carlo method. The molecular interaction induces a local nonsuperfluid component within a quantum solvation shell whose size is determined by the range of the molecule-helium interaction, and also introduces an anisotropic layering of the superfluid density around the molecule. We show that a local quantum hydrodynamic analysis is internally consistent for $N&gt;50$, and can be used to calculate effective rotational constants for molecular dopants in superfluid helium.
An Energy-Efficient Adaptive Transmission Protocol for Ultrawideband Wireless Sensor Networks (2009)

An energy-efficient adaptive transmission protocol for ultrawideband (UWB) wireless sensor networks (WSNs), called ATP-UWSN, is described and evaluated over time-varying multipath fading channel conditions and multinode interference. Since wireless channels may greatly change from one transmission to the next, the use of fixed transmission parameters for such channels results in wasted energy when channel conditions are good. Adaptation of transmission parameters reduces energy consumption and interference. The proposed ATP-UWSN permits each of the sensor nodes to adapt its code rate and spreading code length (the number of pulses used per data bit) to match the predicted channel-state information (CSI). The transmission parameters are selected in accordance with the predicted CSI characteristics of the communication links in the network to achieve the desired quality of service given by the target bit-error probability. Subsequently, we develop a mathematical adaptation framework for the analytical evaluation of ATP-UWSN. Communication performance is evaluated in terms of average information throughput efficiency, which is a relevant progress-related measure for multi- hop WSNs that is associated with the energy consumption and throughput of a packet transmission. The analytical expression of this performance metric is defined and is used to assess the benefits of the proposed ATP-UWSN when compared with a nonadaptive transmission protocol (NATP) with fixed transmission parameters. Our results show that the ATP-UWSN outperforms the NATP and can improve the robustness of the link and reduce energy consumption by adapting the transmission parameters in response to changes in the predicted CSI.
Secure Data Sharing and Searching at the Edge of Cloud-Assisted Internet of Things (2017)

Over the last few years, smart devices are able to communicate with each other and with Internet/cloud from short to long range. As a consequence, a new paradigm is introduced called Internet of Things (IoT). However, by utilizing cloud computing, resource limited IoT smart devices can get various benefits like offload data storage and processing burden at cloud. To support latency sensitive, real-time data processing, mobility and high data rate IoT applications, working at the edge of the network offers more benefits than cloud. In this paper, we propose an efficient data sharing scheme that allows smart devices to securely share data with others at the edge of cloud-assisted IoT. In addition, we also propose a secure searching scheme to search desired data within own/shared data on storage. Finally, we analyze the performance based on processing time of our proposed scheme. The results demonstrate that our scheme has potential to be effectively used in IoT applications.
Solvent/Gelator Interactions and Supramolecular Structure of Gel Fibers in Cyclic Bis-Urea/Primary Alcohol Organogels (2004)

An organogel system consisting of trans-(1S,2S)-bis(ureidododecyl)cyclohexane (SS-BUC) and a series of primary alcohols was explored with optical polarizing microscopy (OPM), electron microscopy, circular dichroism (CD), wide-angle X-ray scattering (WAXS), and synchrotron small-angle X-ray scattering (SAXS). OPM, SAXS, and especially WAXS showed that the gel fiber of SS-BUC/methanol gels essentially consists of SS-BUC crystal itself. SAXS showed that the SS-BUC crystal in the gel takes a lamella with a domain spacing of 5.2 nm. When we left the gel at room temperature, the spacing decreased to 3.1 nm after several months. This distance change may correspond to the structural transition from a double-layer structure to an intercalated-layer structure, which was proposed by Feringa et al. (Chem.-Eur. J. 1999, 5, 937-950) as a possible arrangement of the molecular packing. When the gels in ethanol, propanol, butanol, or octanol were examined, they never showed crystalline peaks in WAXS and SAXS, indicating the amorphous nature of the gels. With increasing the alkyl chain length from ethanol to octanol, dramatic changes were observed in the CD spectrum in the 200-500-nm range. Because these CD changes are correlated to the absorbance of urea, those can be considered as the evidence that the solvents strongly relate to the spatial arrangement between the adjacent urea groups. For the amorphous gels, the cross-sectional correlation function [gammaCu] was directly obtained by the inverse Hankel transform of the SAXS data. The value of gammaCu for the gels is decreased with increasing u (distance between the two scattering bodies, see eq 5). Furthermore, it more rapidly decreases than that of the rigid cylinder model. This feature can be explained by the speculation that many solvent molecules permeate into the SS-BUC fiber. There was a clear difference between ethanol and the other gels, indicating that the solvents with a longer alkyl chain give the more permeated and diffused fiber. This permeated fiber (i.e., wet fiber) can rationalize the dramatic CD change, by presuming that the permeated solvent molecules alter the molecular stacking form.
Human biodistribution and dosimetry of the PET perfusion agent copper-62-PTSM. (1998)

Copper-62-PTSM is a clinically safe radiopharmaceutical with favorable dosimetry for human studies at injected doses significantly above those projected for use in clinical studies.
Body mass index: impact on IVF success appears age-related (2008)

In younger patients undergoing IVF, BMI has a significant negative impact on fertility that diminishes as patients reach their mid thirties. After Age 36, BMI has a minimal impact on fertility.
Optimal stochastic linearization for range-based localization (2010)

In range-based localization, the trajectory of a mobile object is estimated based on noisy range measurements between the object and known landmarks. In order to deal with this uncertain information, a Bayesian state estimator is presented, which exploits optimal stochastic linearization. Compared to standard state estimators like the Extended or Unscented Kalman Filter, where a point-based Gaussian approximation is used, the proposed approach considers the entire Gaussian density for linearization. By employing the common assumption that the state and measurements are jointly Gaussian, the linearization can be calculated in closed form and thus analytic expressions for the range-based localization problem can be derived.
Nucleosides. CIX. 2′‐Deoxy‐ψ‐isocytidine, 2 ‐deoxy‐ψ‐uridine, and 2′‐deoxy‐l‐methyl‐ψ‐uridine. Isosteres of deoxycytidine, deoxyuridine and thymidine (1977)

Abstract 2′‐Deoxy‐ψ‐isocytidine (VIIβ), a 2′‐deoxy analog of antileukemic ψ‐isocytidine and also a C ‐nucleoside analog of deoxycytidine, was synthesized from ψ‐uridine by making use of the newly discovered pyrimidine to pyrimidine transformation reaction [ J. Chem. Soc. , 14, 537 (1977)]. 2′‐Deoxy‐ψ‐uridine (IIβ) and 2′‐deoxy‐l‐methyl‐ψ‐uridine (V), both C ‐nucleoside analogs of deoxyuridine and thymidine, were also synthesized. ψ‐Uridine was converted into the 2′‐chloro analogs (I) which was reduced with tributyltin hydride to give an α,β‐mixture of 2′‐deoxy‐ψ‐uridines. The β‐isomer (11β was trimethylsilylated and the product (III) treated with methyl iodide to afford the 1‐methyl derivative (IV). After hydrolytic removal of the trimethylsilyl groups from IV, the thymidine analog (V) was obtained in good yield. A crude mixture of II was converted in good yield into an α,β‐mixture of 1,3‐dimethyl‐2 ‐deoxy‐ψ‐uridines (VI) by treatment with DMF dimethyl acetal in DMF. Treatment of the β‐isomer (VIβ) with guanidine, however, gave the α,β‐mixture of 2 ‐deoxy‐ψ‐isocytidines (VII). The pure β‐isomer (VIIβ) was obtained by thick layer chromatography. The pure α‐isomer (VIIα) was obtained when VIα was treated with guanidine. 2 ‐Deoxy‐ψ‐isocytidine (VIIβ) and 2 ‐deoxy‐l‐methyl‐ψ‐uridine (V) exhibited inhibitory activity against P815 cells (ID 5 0 1.2 μg./ml. and 4.9 μg./ml., respectively) and the thymidine analog V was found to be active against Streptococcus faecium var. duran . J. Heterocyclic Chem. , 14, 1119 (1977)
BRAF‐V600E immunohistochemistry in a large series of glial and glial–neuronal tumors (2017)

In tumors with few mutated cells (e.g., GG), anti-BRAF-V600E IHC appears more sensitive than Sanger sequencing. The latter, although considered as the gold standard, is not to be used up-front to detect BRAF mutation in GG. The combination of IHC and ASQ-PCR appears more efficient to appraise the indication of targeted therapies in these glioneuronal tumors.
Medical records documentation of constipation preceding Parkinson disease (2009)

Our findings suggest that constipation occurring as early as 20 or more years before the onset of motor symptoms is associated with an increased risk of Parkinson disease.
Guinea pig complement potently measures vibriocidal activity of human antibodies in response to cholera vaccines (2017)

The vibriocidal assay using guinea pig complement is widely used for the evaluation of immune responses to cholera vaccines in human clinical trials. However, it is unclear why guinea pig complement has been used over human complement in the measurement of vibriocidal activity of human sera and there have not been comparison studies for the use of guinea pig complement over those from other species. Therefore, we comparatively investigated the effects of complements derived from human, guinea pig, rabbit, and sheep on vibriocidal activity. Complements from guinea pig, rabbit, and human showed concentration-dependent vibriocidal activity in the presence of quality control serum antibodies. Of these complements, guinea pig complement was the most sensitive and effective over a wide concentration range. When the vibriocidal activity of complements was measured in the absence of serum antibodies, human, sheep, and guinea pig complements showed vibriocidal activity up to 40-fold, 20-fold, and 1-fold dilution, respectively. For human pre- and post-vaccination sera, the most potent vibriocidal activity was observed when guinea pig complement was used. In addition, the highest fold-increases between pre- and post- vaccinated sera were obtained with guinea pig complement. Furthermore, human complement contained a higher amount of V. cholerae- and its lipopolysaccharide-specific antibodies than guinea pig complement. Collectively, these results suggest that guinea pig complements are suitable for vibriocidal assays due to their high sensitivity and effectiveness to human sera.