gebhart/patrepeval huggingface dataset:
Bridging the 16-memberedZ-macrocycle: consequences for conformation and reactivity (2002)

The Rh Vaska-type complexes, trans-[Rh(CO)(Cl)(YR3)] (Y=Group 15 atom; R=aryl or alkyl), analogues of the well-known Vaska's complex, trans-[Ir(CO)(Cl)(PPh3)], are well behaved model systems for various catalytic systems.They readily undergo a variety of reactions e.g., iodomethane oxidative addition, typically forming alkyl species as intermediates, e.g., [Rh(Cl)(CO)(CH3)(I)(YR3) ~], reductive elimination, substitution, insertion, etc.These Rh(I) complexes are easy to synthesize, and in conjunction with their Pd(II) and Pt(II) analogues, are potential homogeneous catalysts to also investigate structurally due to favorable thermal stability, while the CO and PR3 ligands render IR and 31 P NMR spectroscopy as powerful tools to evaluate different ligand effects.These complexes were used to quantify electronic and steric effects of different tertiary group 15 donor ligands (P, As, Sb) [1] , including PPh2Fc (ferrocenyldiphenylphosphine), and PTA (1,3,5-triaza-7-phosphaadamantane) enabling correlations between IR, 31 P NMR and X-ray crystallographic data.Selected four-, five-and six-coordinate pseudo Vaska-type complexes are presented, illustrating structural aspects and reactivity, equilibria and thermodynamics of these with regard to iodomethane oxidative addition/ ligand substitution.
Correlating Electron Transport and Molecular Structure in Organic Thin Films (2001)

A convenient experimental system is described, with which electron transport through structurally well-defined, 2-5 nm-thick, organic films can be examined. Two types of junction J have been studied in which self-assembled monolayers (SAMs, for example, SAM(1) formed on Ag from aliphatic and aromatic thiols, and SAM(2), formed on Hg from hexadecanethiol) are in contact through either van der Waals interactions or through covalent, hydrogen, or ionic bonds.
Extremely Nondegenerate Doubly-Stimulated Two-Photon Emission: Towards a Semiconductor Two-Photon Laser (2014)

We are working on utilizing the 10 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sup> enhancement observed for no degenerate two-photon absorption in semiconductors to obtain two-photon gain in inverted media. Experiments along with analysis for GaAs show potential for gain greater than losses.
Hybrid Digital Image Correlation (2020)

Digital image correlation (DIC) is a commonly used full-field technique for measuring surface deformations in experimental solid mechanics. It directly provides full-field displacements by comparing digital images of the speckle pattern subsets painted on a structure’s surface in the undeformed and deformed states, respectively. Although DIC measures displacements in solid structures, it is often necessary to determine the individual stress components for proper fatigue and failure analysis. Hybrid digital image correlation (hybrid-DIC) is an experimental-analytical approach where theoretical formulations are combined with DIC displacement data for the identification of the full-field stress components. The present paper demonstrates the ability in providing reliable full-field stresses in numerous two-dimensional (2D) plane stress engineering situations involving circular and irregular geometric discontinuities in isotropic or orthotropic composite materials. Hybrid-DIC’s main advantages are (1) it does not require the differentiation of measured displacements, and (2) it provides stresses at the edges of discontinuities, often the location of maximum stress magnitudes.
Supplementary Figures 1-2 from Comparison of Neuropathy-Inducing Effects of Eribulin Mesylate, Paclitaxel, and Ixabepilone in Mice (2023)

Supplementary Figures 1-2 from Comparison of Neuropathy-Inducing Effects of Eribulin Mesylate, Paclitaxel, and Ixabepilone in Mice
Supplementary Figure 2 from GSK-3β Governs Inflammation-Induced NFATc2 Signaling Hubs to Promote Pancreatic Cancer Progression (2023)

&lt;p&gt;Expression luciferase activity upon genetic an pharmacolgical modification of NFATc2 and GSK-3Î²&lt;/p&gt;
Smells Influence Perceived Pleasantness but Not Memorization of a Visual Virtual Environment (2021)

The present study aimed to investigate whether the perception of still scenes in a virtual environment in congruent versus incongruent condition can be influenced by odors. Ninety healthy participants were divided into three groups, including two experimental virtual reality (VR) environments: a rose garden, an orange basket, and a control condition. In each VR condition, participants were exposed to a rose odor, an orange odor, or no odor, resulting in congruent, incongruent, and control conditions. Participants were asked to describe (a) the content of the VR scene and rate its overall pleasantness and (b) the smell and to rate its intensity and pleasantness. For each condition, participants were tested twice. During the second test, participants provided ratings and descriptions of the content of the VR scenes without being exposed to odors or VR environments. Virtual scenarios tended to be remembered as more pleasant when presented with congruent odors. Furthermore, participants used more descriptors in congruent scenarios than in incongruent scenarios. Eventually, rose odor appeared to be remembered as more pleasant when presented within congruent scenarios. These findings show that olfactory stimuli in congruent versus incongruent conditions can possibly modulate the perception of the pleasantness of visual scenes but not the memorization.
1H NMR, EPR, UV−Vis, and Electrochemical Studies of Imidazole Complexes of Ru(III). Crystal Structures ofcis-[(Im)2(NH3)4RuIII]Br3and [(1MeIm)6RuII]Cl2·2H2O (1996)

Comparisons of the spectroscopic properties of a number of Ru(III) complexes of imidazole ligands provide methods of distinguishing between various types of bonding that can occur in proteins and nucleic acids. In particular, EPR and (1)H NMR parameters arising from the paramagnetism of Ru(III) should aid in determining binding sites of Ru(III) drugs in macromolecules. Electrochemical studies on several imidazole complexes of ruthenium suggest that imidazole may serve as a significant pi-acceptor ligand in the presence of anionic ligands. Crystal structures are reported on two active immunosuppressant complexes. cis-[(Im)(2)(NH(3))(4)Ru(III)]Br(3) crystallizes in the triclinic space group P&onemacr; (No. 2) with the cell parameters a = 8.961(2) Å, b = 12.677(3) Å, c = 7.630(2) Å, alpha = 98.03(2) degrees, beta = 100.68(2) degrees, gamma = 81.59(2) degrees, and Z = 2 (R = 0.044). [(1MeIm)(6)Ru(II)]Cl(2).2H(2)O crystallizes in the monoclinic space group P2(1)/n (No. 14) with the cell parameters a = 7.994(2) Å, b = 13.173(4) Å, c = 14.904(2) Å, beta = 97.89(1) degrees, and Z = 2 (R = 0.052). The average Ru(II)-N bond distance is 2.106(8) Å.
SUV420H2 is an epigenetic regulator of epithelial/mesenchymal states in pancreatic cancer (2017)

Epithelial-to-mesenchymal transition is implicated in metastasis, where carcinoma cells lose sessile epithelial traits and acquire mesenchymal migratory potential. The mesenchymal state is also associated with cancer stem cells and resistance to chemotherapy. It might therefore be therapeutically beneficial to promote epithelial identity in cancer. Because large-scale cell identity shifts are often orchestrated on an epigenetic level, we screened for candidate epigenetic factors and identified the histone methyltransferase SUV420H2 (KMT5C) as favoring the mesenchymal identity in pancreatic cancer cell lines. Through its repressive mark H4K20me3, SUV420H2 silences several key drivers of the epithelial state. Its knockdown elicited mesenchymal-to-epithelial transition on a molecular and functional level, and cells displayed decreased stemness and increased drug sensitivity. An analysis of human pancreatic cancer biopsies was concordant with these findings, because high levels of SUV420H2 correlated with a loss of epithelial characteristics in progressively invasive cancer. Together, these data indicate that SUV420H2 is an upstream epigenetic regulator of epithelial/mesenchymal state control.
Transient Analysis of Photonic-Crystal Surface-Emitting Lasers via Time-Dependent 3D Coupled-Wave Theory (2018)

We develop time-dependent three-dimensional coupled-wave theory for photonic-crystal surface-emitting lasers (PCSELs), which enables comprehensive analyses of lasing characteristics of high-power PCSELs under high current injection including relaxation oscillation, spatial hole-burning, and lasing spectra.
Fatal Cardiac and Renal Failure Due to Ecbalium Elaterium (Squirting Cucumber) (1994)

(1994). Fatal Cardiac and Renal Failure Due to Ecbalium Elaterium (Squirting Cucumber) Journal of Toxicology: Clinical Toxicology: Vol. 32, No. 6, pp. 737-738.
Photodetachment studies of metal clusters: Electron affinity measurements for Cux (1986)

Laser photodetachment studies have been performed on silver and copper cluster negative ion beams extracted from a supersonic metal cluster source. This source involves the use of laser vaporization within a pulsed nozzle to prepare the neutral cluster jet, followed by ArF excimer irradiation of the nozzle orifice as the copper clusters emerge into the expansion. Photoelectrons ejected from the aluminum nozzle by the excimer radiation are entrained in the supersonic flow and attach to the neutral copper clusters, producing negative ions which stabilize and extensively cool in the subsequent supersonic expansion. Laser photolysis of mass-selected negative copper cluster ions extracted from this source reveals efficient photodetachment to produce a free electron in the absence of measurable fragmentation. The laser fluence dependence of the photodetachment process at different photon energy permits a rough experimental determination of the electron affinities of copper metal clusters as a function of cluster size for the first time.
Histostitcher™: An informatics software platform for reconstructing whole-mount prostate histology using the extensible imaging platform framework (2014)

Histostitcher™ is a fast, efficient framework for reconstructing pseudo WMHS from individually imaged quadrants. The highly modular XIP™ framework was used to develop an intuitive interface and future work will entail mapping the disease extent from the pseudo WMHS onto pre-operative MRI.
Modulation of Host Cell Biology by Plant Pathogenic Microbes (2015)

Plant-pathogen interactions can result in dramatic visual changes in the host, such as galls, phyllody, pseudoflowers, and altered root-system architecture, indicating that the invading microbe has perturbed normal plant growth and development. These effects occur on a cellular level but range up to the organ scale, and they commonly involve attenuation of hormone homeostasis and deployment of effector proteins with varying activities to modify host cell processes. This review focuses on the cellular-reprogramming mechanisms of filamentous and bacterial plant pathogens that exhibit a biotrophic lifestyle for part, if not all, of their lifecycle in association with the host. We also highlight strategies for exploiting our growing knowledge of microbial host reprogramming to study plant processes other than immunity and to explore alternative strategies for durable plant resistance.
Uricase-Catalyzed Oxidation of Uric Acid Using an Artificial Electron Acceptor and Fabrication of Amperometric Uric Acid Sensors with Use of a Redox Ladder Polymer (1999)

Electrochemical oxidation of uric acid catalyzed by uricase (uric acid oxidase, UOx; EC 1.7.3.3) was studied using several redox compounds including 5-methylphenazinium (MP) and 1-methoxy-5-methylphenazinium (MMP) as electron acceptors for UOx, which does not contain any redox cofactor. It was found that MP and MMP were useful to mediate electrons from UOx to an electrode in the enzymatic oxidation of uric acid. A novel redox polymer, poly(N-methyl-o-phenylenediamine)(poly-MPD), containing the MP units was also found to possess the mediation ability for UOx, and poly-MPD was immobilized together with UOx onto an electrode substrate covered with a self-assembled monolayer of 2-aminoethanethiolate with use of glutaraldehyde as a binding agent. The resulting electrode (poly-MPD/UOx/Au) exhibited amperometric responses to uric acid with very fast response of approximately 30 s, allowing reagentless amperometric determination in a concentration range covering that in the blood of a healthy human being. Kinetic parameters of the apparent Michaelis constant and the maximum current response obtained at the poly-MPD/UOx/Au suggested that electrochemical oxidation of uric acid was controlled by diffusion of uric acid into the enzyme film and that the redox polymer worked well in mediating between active sites of UOx molecules and the electrode substrate.
Osmoregulation in Bacillus subtilis: synthesis of the osmoprotectant glycine betaine from exogenously provided choline (1994)

Exogenously provided glycine betaine functions as an efficient osmoprotectant for Bacillus subtilis in high-osmolarity environments. This gram-positive soil organism is not able to increase the intracellular level of glycine betaine through de novo synthesis in defined medium (A. M. Whatmore, J. A. Chudek, and R. H. Reed, J. Gen. Microbiol. 136:2527-2535, 1990). We found, however, that B. subtilis can synthesize glycine betaine when its biosynthetic precursor, choline, is present in the growth medium. Uptake studies with radiolabelled [methyl-14C]choline demonstrated that choline transport is osmotically controlled and is mediated by a high-affinity uptake system. Choline transport of cells grown in low- and high-osmolarity media showed Michaelis-Menten kinetics with Km values of 3 and 5 microM and maximum rates of transport (Vmax) of 10 and 36 nmol min-1 mg of protein-1, respectively. The choline transporter exhibited considerable substrate specificity, and the results of competition experiments suggest that the fully methylated quaternary ammonium group is a key feature for substrate recognition. Thin-layer chromatography revealed that the radioactivity from exogenously provided [methyl-14C]choline accumulated intracellularly as [methyl-14C]glycine betaine, demonstrating that B. subtilis possesses enzymes for the oxidative conversion of choline into glycine betaine. Exogenously provided choline significantly increased the growth rate of B. subtilis in high-osmolarity media and permitted its proliferation under conditions that are otherwise strongly inhibitory for its growth. Choline and glycine betaine were not used as sole sources of carbon or nitrogen, consistent with their functional role in the process of adaptation of B. subtilis to high-osmolarity stress.
Analysis of the IGBT/freewheeling diode switching behaviour during turn-on in hard switching applications (1998)

The aim of the work presented in this paper is to gain a better understanding of the IGBT, freewheeling diode, and circuit interaction during turn-on in a hard switching inductive load application. The main factors influencing the switching speed (commutating di/dt) and the turn-on losses in both the IGBT and freewheeling diode are discussed and analysed with the aid of simulation and experimental results. This study is particularly important in order to reach to some important conclusions on the device and circuit design requirements for optimum performance. Also, it provides a more detailed insight on the device and circuit topology that allows an acceptable compromise between switching speed, power dissipation and electromagnetic radiation.
Sentences vs. phrases (2000)

In experiments on a natural language information retrieval system that retrieves images based on textual captions, we show that syntactic complexity actually aids retrieval. We compare two types of captioned images, those characterized with full sentences in English, and those characterized by lists of words and phrases. The full-sentence captions show a 15% increase in retrieval accuracy over the word-list captions. We conclude that the syntactic complexity may be of use in fact because it decreases semantic ambiguity: the word-list captions may be syntactically simple, but they are semantically confusingly complex.
Synthesis and Bioactivity of poly N-phenylene-N'-aroylthiourea (2013)

Three novel poly N-phenylene-N-aroylthioureas (2a~c) were synthesized by the reaction of aryldiamines with terephthaloyl diisothiocyanate. Their structures were characterized by IR spectra and 1 HNMR. The preliminary biological activity tests showed that some compounds display effect in growth regulation of plants and fungicidal activity to some extent. The compound 2b has obvious growth promoting effect on Oryza sativa L .(rice), the growth promoting rate to 59.05% and 71.81% in the concentration of 10 mg·L -1 and 100 mg·L -1 respectively, and it has obvious inhibition to Echinochloa crusgalli L .(barnyard grass), the inhibition rate of more than 75% in the concentration of 0.1~100 mg·L -1 , and it has weak inhibition for the growth of Cucumis sativus L .(cucumber). The compound 2a has excellent crop safety and 2b has well selectivity for the test plants.
A Quasi-Dimensional SI Burn Rate Model for Predicting the Effects of Changing Fuel, Air-Fuel-Ratio, EGR and Water Injection (2020)

&lt;div class="section abstract"&gt;&lt;div class="htmlview paragraph"&gt;As a result of the R&amp;amp;D focus being shifted from internal combustion engines to electrified powertrains, resources for the development of internal combustion engines are restricted more and more. With that, the importance of highly efficient engine development tools is increased. In this context, 0D/1D engine simulation offers the advantage of low computational effort and fast engine model set-up. To ensure a high predictive ability of the engine simulation, a reliable burn rate model is needed. Considering the increasing interest in alternative fuels, the aspect of predicting the fuel influence on combustion is of special importance. To reach these targets, the change of engine combustion characteristics with changing fuels and changing air-fuel-ratios were investigated systematically in a first step. For this purpose, engine test bed data were compared with expected fuel-dependent flame wrinkling trends based on &lt;i&gt;Markstein&lt;/i&gt;/&lt;i&gt;Lewis&lt;/i&gt; number theory. Furthermore, the possibility of influences caused by the &lt;i&gt;Darrieus&lt;/i&gt;-&lt;i&gt;Landau&lt;/i&gt; instability was evaluated. Based on these comparisons, an existing burn rate model was improved by adapting the sub-models for laminar and turbulent flame speed as well as the approach to calculate a characteristic burn-up time. Reaction kinetics calculations were used as a basis to model the laminar flame speed. The influence of water injection was included, too. Concerning turbulent flame propagation, different models of the turbulent flame speed were compared qualitatively. The most promising one was implemented in the simulation environment. For this, a model for the laminar flame thickness was developed. Furthermore, the possibility to consider the local distribution of turbulent kinetic energy was implemented and evaluated. From test bed data comparison, an overestimation of the laminar flame speed influence on burn rate was observed for the baseline model. The approach to calculate the characteristic burn-up time was identified as the reason for this overestimation and was consequently adapted. The improved burn rate model has been validated against different engines running on different fuels (methane, methanol, ethanol, gasoline, methyl formate), air-fuel-ratios, EGR rates, engine speeds, engine loads and water injection rates. For most cases, the IMEP can be predicted with an error below ±1.5 %. The validation also proved that the burn rate model is able to predict the influence of a fuel variation on engine performance, without the need for recalibration. The model thus allows the investigation of the potential of alternative fuels and engine concepts like lean combustion, on the basis of a calibration for e.g. gasoline. In the outlook, the fuel influence on engine knock prediction and its relation to cycle-to-cycle variation is analyzed.&lt;/div&gt;&lt;/div&gt;
Distributed Link-State Measurement for Accurate QoS Routing (2006)

Quality-of-service (QoS) routing has the objective to find end-to-end paths that satisfy the service requirements of QoS flows. Efficient QoS routing requires accurate information about the QoS state of each router or link in a complete path. However, most currently deployed networks do not use accurate state information, or else, networks perform limited link-state measurements. In this paper, we propose a general measurement system, executed by routers, to accurately measure local link states. We select some existing measurement tools, designed for end-hosts, as possible choices for the implementation of our measurement system, and compare them through experimental evaluations. Also, we study the scheduling of measuring processes to reduce contention for network resources that may arise during the measurement time
In‐home monitoring of persons with dementia: Ethical guidelines for technology research and development (2007)

Innovative technologies are rapidly emerging that offer caregivers the support and means to assist older adults with cognitive impairment to continue living “at home.” Technology research and development efforts applied to older adults with dementia invoke special grant review and institutional review board concerns, to ensure not only safe but also ethically appropriate interventions. Evidence is emerging, however, that tensions are growing between innovators and reviewers. Reviewers with antitechnology biases are in a position to stifle needed innovation. Technology developers who fail to understand the clinical and caregiving aspects of dementia may design applications that are not in alignment with users' capabilities. To bridge this divide, we offer an analysis of the ethical issues surrounding home monitoring, a model framework, and ethical guidelines for technology research and development for persons with Alzheimer's disease and their caregivers.
Imaging a smell: from plasmonic-based device to an array of Mach-Zehnder interferometers (2022)

Beyond the classical lock/key-recognition-based approach used in the bio-analytical field, an electronic tongue or nose device (eT/eN) is an assembly of non-specific sensors. Following a long story around the imaging of biological interactions of biomolecules by surface plasmon resonance imaging, we recently extended this approach to the non-specific interactions studies in gas phase giving rise to a new optical-nose generation. The signals resulting from the binding of VOCs on an array of bioinspired receptors can be seen as 3D continuous dynamic images or movies. Finally, complex data obtained from odors are analyzed as simple images via a specific database. This flexible and straightforward approach allowed a downscaling of the device and a new miniaturized portable and generic opto-nose, Neose, was recently launched also based on silicon integrated photonic technologies (Mach-Zehnder interferometers array). The translation of a smell into an image could be seen as a first step to open up the merging of the olfactory and visual senses.