gebhart/patrepeval huggingface dataset:
Ligand substitution in bis(N-alkylsalicylideneiminato)copper(II) complexes: comparison of activation and transfer data obtained from solvent mixtures (1981)

Stopped-flow spectrophotometry has been used to study the kinetics of ligand substitution in three bis(N-alkylsalicylideneiminato)copper(II) complexes [Cu(Rsaln)2](R = Et, Pri, or But) with N-ethylsalicylideneimine (H-Etsaln) or N-phenylsalicylideneimine (H-Phsaln) in solvent mixtures of methanol–butan-2-ol and methanol–2-methylbutan-2-ol. The rate of substitution follows a two-term rate law, rate =(ks+kligand[ligand])[complex], although for most systems studied the second-order contribution kligand[ligand] is negligibly small, so that rate =ks[complex]. The determination of ks, the so-called solvent path, in alcohol mixtures of different composition has led to δΔG‡. From the temperature dependence of ks, the activation parameters ΔH‡ and ΔS‡ have been obtained. On the basis of solubilities determined spectrophotometrically, the Gibbs free energy of transfer, δGtr, has been obtained for the various mixtures. An attempt is made to correlate the activation data δΔG‡ for the solvent path with the transfer data δGtr and this is discussed in terms of ground- and transition-state solvation. The significance of the different co-ordination geometry of the three complexes studied for the kinetics and for solvation is examined. It is shown that there is a correlation between Inks and Reichardt's solvent polarity parameter ET(30), which is of mechanistic importance.
Application of FTIR spectroscopy in determining sesamol in sesame seed oil (2003)

Abstract A new analytical method was developed for determining sesamol in sesame seed oil by FTIR spectroscopy. Sesamol was also spiked at 0 to 1000 mg/kg in freshly refined, bleached, and deodorized palm olein (RBDPOo) and groundnut (peanut) oil. FTIR spectra were recorded using a transmission (NaCl) cell accessory at room temperature, and the partial least squares regression statistical method was used to derive calibration models for each oil. The standard errors of calibration were 6.07, 5.88, and 4.24 mg/100 g for sesame, RBDPOo, and groundnut oils, with coefficients of determination ( R 2 ) of 0.9947, 0.9940, and 0.9662, respectively. The calibration models were validated by the “leave‐one‐out” cross‐validation method, and the R 2 of validation, the standard errors of prediction, and SD of the differences for repeatability and accuracy were computed. Our results support the premise that FTIR spectroscopy is an efficient and accurate method for determining minor components such as sesamol in edible oils.
A Novel, One‐Step Method for the Conversion of Primary Alcohols into Carbamate‐Protected Amines. (2002)

Abstract For Abstract see ChemInform Abstract in Full Text.
Influence of Surfactant Bilayers on the Refractive Index Sensitivity and Catalytic Properties of Anisotropic Gold Nanoparticles (2015)

Shape-controlled synthesis of gold nanoparticles generally involves the use of surfactants, typically cetyltrimethylammonium (CTAX, X = Cl(-) , Br(-)), to regulate the nucleation growth process and to obtain colloidally stable nanoparticles. The surfactants adsorb on the nanoparticle surface making further functionalization difficult and therefore limit their use in many applications. Herein, the influence of CTAX on nanoparticle sensitivity to local dielectric environment changes is reported. It is shown, both experimentally and theoretically, that the CTAX bilayer significantly reduces the refractive index (RI) sensitivity of anisotropic gold nanoparticles such as nanocubes and concave nanocubes, nanorods, and nanoprisms. The RI sensitivity can be increased by up to 40% by removing the surfactant layer from nanoparticles immobilized on a solid substrate using oxygen plasma treatment. This increase compensates for the otherwise problematic decrease in RI sensitivity caused by the substrate effect. Moreover, the removal of the surfactants both facilitates nanoparticle biofunctionalization and significantly improves their catalytic properties. The strategy presented herein is a simple yet effective universal method for enhancing the RI sensitivity of CTAX-stabilized gold nanoparticles and increasing their potential as transducers in nanoplasmonic sensors, as well as in catalytic and biomedical applications.
Structural Dynamics of a Noncovalent Charge Transfer Complex from Femtosecond Stimulated Raman Spectroscopy (2012)

Femtosecond stimulated Raman spectroscopy is used to examine the structural dynamics of photoinduced charge transfer within a noncovalent electron acceptor/donor complex of pyromellitic dianhydride (PMDA, electron acceptor) and hexamethylbenzene (HMB, electron donor) in ethylacetate and acetonitrile. The evolution of the vibrational spectrum reveals the ultrafast structural changes that occur during the charge separation (Franck-Condon excited state complex → contact ion pair) and the subsequent charge recombination (contact ion pair → ground state complex). The Franck-Condon excited state is shown to have significant charge-separated character because its vibrational spectrum is similar to that of the ion pair. The charge separation rate (2.5 ps in ethylacetate and ∼0.5 ps in acetonitrile) is comparable to solvation dynamics and is unaffected by the perdeuteration of HMB, supporting the dominant role of solvent rearrangement in charge separation. On the other hand, the charge recombination slows by a factor of ∼1.4 when using perdeuterated HMB, indicating that methyl hydrogen motions of HMB mediate the charge recombination process. Resonance Raman enhancement of the HMB vibrations in the complex reveals that the ring stretches of HMB, and especially the C-CH(3) deformations are the primary acceptor modes promoting charge recombination.
Resistive Switching Behavior in Undoped α-Fe<sub>2</sub>O<sub>3</sub> Film with a Low Resistivity (2014)

The resistive switching behavior of a low resistive p-type α-Fe 2 O 3 thin film sandwiched between Fe bottom electrode and top electrodes of various materials (Fe, Ni and TiN) was studied by current-voltage measurements. When TiN was used for top electrode of memory cell, the reversible resistive switching behavior was observed for over 100 cycles. From impedance measurement, it was suggested that the resistive switching behavior in the TiN/p-type α-Fe 2 O 3 /Fe device is attributed to the change of the contact resistance in the interface between TiN and α-Fe 2 O 3 layers.
Encoding scene structures for video compression (2012)

We describe an approach to partition a video stream into structure regions that are temporally encoded and disjoint from <i>texture</i> regions that are synthesized so as to preserve the statistical properties of the original data stream. Structures encode regions of an image that can be put into correspondence in different images of the same scene, and are encoded via a dictionary that takes into account spatial and temporal regularities. Textures are synthesized in a manner that preserves perceptual similarity.
A new method of on-line grid impedance estimation for PV inverter (2004)

The recent increase in photovoltaic (PV) installations calls for new and better power quality requirements with respect to connection to the grid supply. Therefore, different methods are typically used for continuous grid monitoring, usually by using external devices. In this paper a new method for on-line measuring the grid impedance is presented. The presented method requires no extra hardware being accommodated by typical PV inverters, sensors and CPU, to provide a fast and low cost approach of on-line impedance measurement. By injecting a noncharacteristic harmonic current and measuring the voltage grid response it is possible to evaluate the grid impedance. Practical test on an existing PV inverter validate the new method.
Polarization Properties of Elliptical-Hole Liquid Crystal Photonic Bandgap Fibers (2007)

<para xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> The characteristics of triangular photonic crystal fibers (PCFs) with elliptical holes filled with a nematic liquid crystal (LC) are investigated theoretically. The analysis that is carried out using the finite-element method, including material dispersion effects, shows that LC anisotropy and hole ellipticity allow some phenomena that are not predicted yet, such as polarization-dependent losses and birefringence sign change in the wavelength range used for standard telecom fibers. Control of these features allows the design of new devices for sensing or telecommunication applications. </para>
Localizing a robot with minimum travel (1995)

We consider the problem of localizing a robot in a known environment modeled by a simple polygon P. We assume that the robot has a map of P but is placed at an unknown location inside P. From its initial location, the robot sees a set of points called the visibility polygon V of its location. In general, sensing at a single point will not suce to uniquely localize the robot, since the set H of points in P with visibility polygon V may have more than one element. Hence, the robot must move around and use range sensing and a compass to determine its position (i.e., localize itself). We seek a strategy that minimizes the distance the robot travels to determine its exact location. We show that the problem of localizing a robot with minimum travel is NP-hard. We then give a polynomial time approximation scheme that causes the robot to travel a distance of at most (k 1)d, where k =jHj, which is no greater than the number of reflex vertices of P , and d is the length of a minimum length tour that would allow the robot to verify its true initial location by sensing. We also show that this bound is the best possible.
Hawaii‐2 observatory pioneers opportunities for remote instrumentation in ocean studies (2000)

Beneath 5000 m of water midway between Hawaii and California, the Hawaii‐2 Observatory (H20) rests on the seafloor (Figure 1). Telemetry and power come to this pioneer, deep‐ocean scientific observatory via a retired telephone cable, Hawaii‐2, donated by AT&amp;T to the Incorporated Research Institutions for Seismology (IRIS) Consortium for the benefit of the scientific community. H20 is the first Global Seismographic Network (GSN) station on the seafloor.With a suite of wet‐mateable connectors on a junction box (j‐box), H20 offers marine scientists a new opportunity to deploy and operate remote instrumentation in the middle of the ocean.
A New Selective Method for the Homolytic Alkylation and Carboxylation of Quinones by Monoesters of Oxalic Acid (1992)

Abstract Alkyl and alkoxycarbonyl radicals were generated by oxidative decarboxylation of oxalic acid monoesters by persulfate; they were then utilized for the selective substitution of quinones.
Abstract 3522: Enzymatic DNA repair enables high quality library preparation and accurate sequencing from highly damaged DNA inputs (2019)

High-throughput sequencing is key for clinical diagnostic applications such as disease mutation profiling and identifying pathogens with high taxonomic specificity. Preparation of high quality next-generation sequencing (NGS) libraries is critical for obtaining accurate patient data, but clinical scientists are often limited by input DNA quality. In cancer genomics, formalin-fixed, paraffin-embedded (FFPE) tissue from patient biopsy is a common source of DNA, but the extracted DNA is often poor in both yield and quality due to fixation- and storage-induced damage. Additionally, these damage-induced sequencing artifacts raise the background level of mutations, making it difficult to discern true, low frequency, disease-related variants from noise. Even relatively high-quality DNA inputs contain nicks and gaps limiting library yields and read lengths for long read sequencing platforms including Oxford Nanopore Technologies (ONT) and Pacific Biosciences (PacBio).We developed a second-generation DNA repair enzyme mix (V2) that efficiently repairs the most prevalent damage types found in FFPE DNA and further improves the quality and yield of NGS libraries through efficient nick and gap repair. Illumina library yield and quality were improved when DNA samples were treated with FFPE DNA Repair V2 before library preparation. Target enrichment and whole exome enrichment experiments showed that the V2 repair mix did not alter the overall frequency of variants identified, thus it did not introduce bias, but significantly improved the sequencing accuracy by reducing the number of false variant calls due to damage-induced sequence artifacts. True mutation frequencies were validated using droplet digital PCR (ddPCR). Repaired ONT libraries using DNA inputs of varying quality also showed improved library quality as well as greater read lengths. Therefore, enzymatic DNA repair prior to NGS library preparation is a critical first step for improving the quality and accuracy of short- and long-read sequencing libraries.Citation Format: Margaret R. Heider, Lixin Chen, Chen Song, Luo Sun, Pingfang Liu, Laurence Ettwiller, Lauren Higgins, Eileen Dimalanta, Theodore Davis, Thomas Evans. Enzymatic DNA repair enables high quality library preparation and accurate sequencing from highly damaged DNA inputs [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2019; 2019 Mar 29-Apr 3; Atlanta, GA. Philadelphia (PA): AACR; Cancer Res 2019;79(13 Suppl):Abstract nr 3522.
Equivalent Circuit Analogs (2008)

This chapter contains sections titled: General Approach Current Addition Potential Addition Problems
Drug-Eluting Microarrays for Cell-Based Screening of Chemical-Induced Apoptosis (2011)

Traditional high-throughput screening (HTS) is carried out in centralized facilities that require extensive robotic liquid and plate handling equipment. This model of HTS is restrictive as such facilities are not accessible to many researchers. We have designed a simple microarray platform for cell-based screening that can be carried out at the benchtop. The device creates a microarray of 2100 individual cell-based assays in a standard microscope slide format. A microarray of chemical-laden hydrogels addresses a matching array of cell-laden microwells thus creating a microarray of sealed microscale cell cultures each with unique conditions. We demonstrate the utility of the device by screening the extent of apoptosis and necrosis in MCF-7 breast cancer cells in response to exposure to a small library of chemical compounds. From a set of screens we produced a rank order of chemicals that preferentially induce apoptosis over necrosis in MCF-7 cells. Treatment with doxorubicin induced high levels of apoptosis in comparison with staurosporine, ethanol, and hydrogen peroxide, whereas treatment with 100 μM ethanol induced minimal apoptosis with high levels of necrosis. We anticipate broad application of the device for various research and discovery applications as it is easy to use, scalable, and can be fabricated and operated with minimal peripheral equipment.
Increased glycosylation of beta 1 integrins affects the interaction of transformed S115 mammary epithelial cells with laminin-1. (1995)

The effect of transformation on the expression and the functions of beta 1 integrins was studied using an in vitro cell transformation model. S115 mammary epithelial tumor cells undergo transformation into tumorigenic fibroblastoid cells in the presence of steroids. Transformation was found to reduce the attachment and the spreading of S115 cells on laminin-1 but not fibronectin. Adhesion of S115 cells to laminin-1 was inhibited in the presence of an antibody against the beta 1 integrin subunit. Both nontreated and transformed S115 cells expressed at least two putative laminin-1-binding beta 1 integrins at the same level. In transformed cells, however, the mature integrin subunits appeared to be structurally altered, showing a slower electrophoretic mobility. Treatment with N-glycosidase-F and tunicamycin abolished this mobility difference, suggesting that the presence of complex-type N-linked oligosaccharides was responsible. Detailed enzymatic analysis of the oligosaccharides present on the beta 1 subunits revealed that the difference in glycosylation is, at least partially, due to poly-N-lactosaminoglycan chains on beta 1 integrin from transformed cells. Removal of this difference in glycosylation by either cleavage of the polylactosaminoglycan chains with endo-beta-galactosidase or inhibiton of complex-type glycan formation with swainsonine repeatedly enhanced the spreading of transformed cells on laminin-1. Thus, the increased size of complex-type oligosaccharides on beta 1 integrin may affect cell-laminin-1 interactions. Similar changes may contribute to the altered adhesion of cancer cells during the invasion and metastasis.
Innovative transdermal delivery of insulin using gelatin methacrylate-based microneedle patches in mice and mini-pigs (2021)

Painless and controlled on-demand drug delivery is the ultimate goal for the management of various chronic diseases, including diabetes. To achieve this purpose, microneedle patches are gaining increased attention. While degradable microneedle (MN) arrays are widely employed, the use of non-dissolving MN patches remains a challenge to overcome. In this study, we demonstrate that crosslinking gelatin methacrylate with polyethylene glycol diacrylate (PEGDA) is potent for engineering non-dissolving MN arrays. Incorporation of MoS<sub>2</sub> nanosheets as a photothermal component into MN hydrogels results in MNs featuring on-demand release properties. An optimized MoS<sub>2</sub>-MN array patch formed using a hydrogel solution containing 500 μg mL<sup>-1</sup> of MoS<sub>2</sub> and photochemically crosslinked for 5 min shows required mechanical behavior under a normal compressive load to penetrate the stratum corneum of mice or pig skin and allows the delivery of macromolecular therapeutics such as insulin upon swelling. Using <i>ex vivo</i> and <i>in vivo</i> models, we show that the MoS<sub>2</sub>-MN patches can be used for loading and releasing insulin for therapeutic purposes. Indeed, transdermal administration of insulin loaded into MoS<sub>2</sub>-MN patches reduces blood glucose levels in C57BL/6 mice and mini-pigs comparably to subcutaneously injected insulin. We believe that this on-demand delivery system might alter the current insulin therapies and might be a potential approach for delivery of other proteins.
Ras activation leads to cell proliferation or apoptotic cell death upon interleukin‐2 stimulation or lymphokine deprivation, respectively (1997)

Lymphokine-dependent cells undergo apoptosis upon lymphokine withdrawal. We describe that lymphokine deprivation of the interleukin (IL)-2- or IL-4-dependent mouse T cell line TS1 alpha beta induces Ras activation which plays a role in programmed cell death, since blocking Ras activity reduces the induction of apoptosis. Induction of apoptosis by lymphokine deprivation can be prevented by expression of the Bcl-2 protein. Rescue from cell death by IL-2 also promotes Ras activation, but, in contrast to lymphokine withdrawal, stimulates Bcl-2 expression. IL-4-induced cell survival is Ras- and Bcl-2 independent. These results are compatible with a model in which cell proliferation requires the simultaneous induction of at least two pathways which act in combination to prevent cell death.
An Autonomous Sensor and Telemetry System for Low-Level pCO2 Measurements in Seawater (1998)

The measurement of low-level dissolved CO(2) using a fiber-optic sensor is described. The sensor, based on the Severinghaus CO(2) electrode principle, consists of a CO(2)-sensitive bicarbonate buffer solution containing the pH-sensitive fluorescent dye carboxy-SNAFL-1 immobilized at the end of an optical fiber using a gas-permeable membrane. The sensor is used in a ratiometric mode and has a reversible working dynamic range between 200 and 1000 ppm pCO(2) and a sensitivity ±1 ppm. Results are presented for the sensor calibration, effects of temperature, and response time characteristics. An integrated measurement system with electrooptic and data acquisition modules coupled to a satellite transmission system was tested in Vineyard Sound, MA, and data are presented that demonstrate continuous monitoring of pCO(2) in surface seawater.
Proceedings, technology of object-oriented languages and systems, TOOLS 38 : components for mobile computing, Zurich, Switzerland 12-14 March 2001 (2001)

The contents include information on: experiences in mobile computing; the e-language; integration of static and dynamic core for UML; migrating to Reuse; an information exploration tool for performance analysis of Java programs; analyzing the scalability of transactional CORBA applications.
Measuring intra-esophageal pressure to assess transmural pulmonary arterial occlusion pressure in patients with acute lung injury: a case series and review. (2000)

PAOP(TM) calculated by P(ES) may reflect transmitted IAP to the pleural surface. Using P(ES) to calculate PAOP(TM) may provide a more accurate assessment of hemodynamic status than predicting PAOP(TM) using clinical formulas based solely on estimated PEEP transmission.
Discovery of Tetrasubstituted Imidazolines as Potent and Selective Neuropeptide Y Y5 Receptor Antagonists: Reduced Human Ether-a-go-go Related Gene Potassium Channel Binding Affinity and Potent Antiobesity Effect (2009)

A series of novel imidazoline derivatives was synthesized and evaluated as neuropeptide Y (NPY) Y5 receptor antagonists. Optimization of previously reported imidazoline leads, 1a and 1b, was attempted by introduction of substituents at the 5-position on the imidazoline ring and modification of the bis(4-fluorphenyl) moiety. A number of potent derivatives without human ether-a-go-go related gene potassium channel (hERG) activity were identified. Selected compounds, including 2a, were shown to have excellent brain and CSF permeability. Compound 2a displayed a suitable pharmacokinetic profile for chronic in vivo studies and potently inhibited D-Trp(34)NPY-induced acute food intake in rats. Oral administration of 2a resulted in a potent reduction of body weight in a diet-induced obese mouse model.
Harnessing CAR T-cell Insights to Develop Treatments for Hyperinflammatory Responses in Patients with COVID-19 (2020)

Cytokine release and macrophage activation contribute to immunopathology after SARS-CoV-2 infection. We discuss approaches to decrease the morbidity and mortality in patients with COVID-19 by repurposing existing drugs previously developed for cancer therapy.
Ein hocheffizienter Katalysator für die Telomerisation von 1,3‐Dienen mit Alkoholen: die erste Synthese eines Monocarbenolefinpalladium( 0 )‐Komplexes (2002)

Industrielle Reaktion verbessert: Der erste Monocarbenolefinpalladium(0)-Komplex wurde isoliert und charakterisiert (siehe Abbildung; Pd orange, N grün, S gelb, O blau). Der Komplex zeigt eine unerwartet hohe Katalysatorproduktivität und Selektivität bei industriell wichtigen Telomerisierungen (die Dimerisierung von 1,3-Dienen in Gegenwart eines Nucleophils, in diesem Fall eines Alkohols).