gebhart/patrepeval huggingface dataset:
Two stereoisomers of the rat toxicant norbormide (2004)

The structures of two diastereoisomers of norbormide [systematic name: 5-[hydroxy(phenyl)(2-pyridyl)methyl]-8-[phenyl(2-pyridyl)methylene]-3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione], viz. the unsolvated molecule, C(33)H(25)N(3)O(3), and the ethyl acetate hemisolvate, C(33)H(25)N(3)O(3).0.5C(4)H(8)O(2), have been determined unambiguously. They differ in the relative stereochemistry about the exocyclic double bond and the relative conformations of the aryl rings. Each compound exhibits both intra- and intermolecular hydrogen bonding.
Suppression of self-heating effect employing bulk vertical-channel bipolar junction transistor (BJT) type capacitorless 1T-DRAM cell (2013)

Excellent thermal characteristics of the bulk vertical-channel bipor junction transistor (BJT) type 1T-DRAM compared to the SOI planar type with 20nm generation. The bulk vertical type can operate with the low increase of lattice temperature (ΔT <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">L</sub> <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">max</sup> ) of 26K and high enough read current margin of 1.8μA/cell, while the SOI planar type shows large ΔT <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">L</sub> <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">max</sup> value of 58K.
Fullerton, William Morton, [1893] [n.m.] [n.d.] (1893)

Fullerton 3; Paris; reel lists date as [n.y., n.d.]; Monday a.m.; I am very sorry about your enslavement
Hydrogen interaction with a Si(113)-3 * 2 surface (2005)

We report ultrahigh vacuum scanning tunneling microscopy (UHV-STM) study of the atomic hydrogen adsorption onto a clean Si(113)-3 × 2 surface on an atomic scale. Even after hydrogen exposure of 4 L, STM images reveal clearly that some adatoms are invisible and some pentamers change their image contrast, probably due to hydrogen adsorption at the surface dangling bonds of the corresponding sites. Based on the results of STM together with low-energy electron diffraction (LEED), we discuss the initial adsorption processes of atomic hydrogen on Si(113)-3 × 2 and the transition from 3 × 2 to 3 × 1. [DOI: 10.1380/ejssnt.2005.263]
Enhanced macromolecule diffusion deep in tumors after enzymatic digestion of extracellular matrix collagen and its associated proteoglycan decorin (2007)

Drug access to tumors is limited by diffusion through the tumor interstitium. We used a microfiberoptic epifluorescence photobleaching method to determine the role of extracellular matrix (ECM) components in macromolecule diffusion deep in tumor tissue. In subcutaneous B16 tumors in living mice, translational diffusion of 10 kDa FITC-dextran was slowed 2- to 3-fold (compared with its diffusion in water) within a depth of 0.2 mm from the tumor surface, but >10-fold beyond a depth of 1 mm. Diffusion of larger macromolecules, FITC-albumin and 500 kDa FITC-dextran, was slowed by up to 40-fold at 0.5 mm and 300-fold at 2 mm. Intratumoral collagenase (to digest collagen) or cathepsin C (to digest decorin) each increased diffusion of 10 kDa FITC-dextran by approximately 2-fold. However, these treatments dramatically increased diffusion (>10-fold) of larger macromolecules, such as 500 kDa dextran, in deep tumor (2 mm depth). Intratumoral hyaluronidase, in contrast, slowed diffusion throughout the tumor. In vitro measurements in defined gel-like mixtures of collagen, hyaluronan, and decorin closely recapitulated results in tumors in vivo. Mathematical modeling quantified the roles of extracellular space volume fraction and dimensions, and indicated a substantial effect of cell density on diffusion in deep tumor. Our data define the determinants of diffusion in deep tumor and suggest collagen and decorin digestion to greatly facilitate macromolecule delivery.
Dynamics of intracellular calcium in cultured human keratinocytes after localized cell damage (2013)

Recovery of cultured keratinocytes after scratch damage is considered to be a wound-healing model. In this study, we observed changes in intracellular calcium concentration ([Ca(2+) ]i ) in cultured human keratinocytes after scratch damage. Immediately after scratch damage, a wave of increased [Ca(2+) ]i radiated outward from the damaged area and then disappeared gradually. But, [Ca(2+) ]i remained elevated in a peripheral layer of cells around the damaged area for several minutes. This layer did not appear in calcium-free medium. When the culture was switched to calcium-free medium for 30 min immediately after scratch damage, then switched back to standard (Ca(2+) -containing) medium, the recovery ratio after 24 h was approximately 25% lower than that of the culture in standard medium throughout. We speculate that delineation of damage sites by a layer of cells with increased [Ca(2+) ]i might be part of a signalling pathway that appropriately directs the wound-healing process in epidermis.
Control of Rotor Function in Light-Driven Molecular Motors (2011)

A study is presented on the control of rotary motion of an appending rotor unit in a light-driven molecular motor. Two new light driven molecular motors were synthesized that contain aryl groups connected to the stereogenic centers. The aryl groups behave as bidirectional free rotors in three of the four isomers of the 360° rotation cycle, but rotation of the rotors is hindered in the fourth isomer. Kinetic studies of both motor and rotor functions of the two new compounds are given, using (1)H NMR, 2D-EXSY NMR, and UV-vis spectroscopy. In addition, we present the development of a new method for introducing a range of aryl substituents at the α-carbon of precursors for molecular motors. The present study shows how the molecular system can be photochemically switched between a state of free rotor rotation and a state of hindered rotation and reveals the dynamics of coupled rotary systems.
Stern Layer (2016)

This glossary of terms covers phenomena considered under the very wide terms photocatalysis and radiation catalysis. A clear distinction is made between phenomena related to either photochemistry and photocatalysis or radiation chemistry and radiation catalysis. The term “radiation” is used here as embracing electromagnetic radiation of all wavelengths, but in general excluding fast-moving particles. Consistent definitions are given of terms in the areas mentioned above, as well as definitions of the most important parameters used for the quantitative description of the phenomena. Terms related to the up-scaling of photocatalytic processes for industrial applications have been included. This Glossary should be used together with the Glossary of terms used in photochemistry, 3rd edition, IUPAC Recommendations 2006: (doi:10.1351/pac200779030293) as well as with the IUPAC Compendium of Chemical Terminology, 2nd ed. (the “Gold Book” 2006–; doi:10.1351/goldbook), because many terms used in photocatalysis are defined in these documents.
Role of Arg100 and Arg264 from <i>Anabaena</i> PCC 7119 Ferredoxin−NADP<sup>+</sup> Reductase for Optimal NADP<sup>+</sup> Binding and Electron Transfer (1998)

Previous studies and the crystal structure of Anabaena PCC 7119 FNR suggest that the side chains of Arg100 and Arg264 may be directly involved in the proper NADP+/NADPH orientation for an efficient electron-transfer reaction. Protein engineering on Arg100 and Arg264 from Anabaena PCC 7119 FNR has been carried out to investigate their roles in complex formation and electron transfer to NADP+ and to ferredoxin/flavodoxin. Arg100 has been replaced with an alanine, which removes the positive charge, the long side chain, as well as the ability to form hydrogen bonds, while a charge reversal mutation has been made at Arg264 by replacing it with a glutamic acid. Results with various spectroscopic techniques indicate that the mutated proteins folded properly and that significant protein structural rearrangements did not occur. Both mutants have been kinetically characterized by steady-state as well as fast transient kinetic techniques, and the three-dimensional structure of Arg264Glu FNR has been solved. The results reported herein reveal important conceptual information about the interaction of FNR with its substrates. A critical role is confirmed for the long, positively charged side chain of Arg100. Studies on the Arg264Glu FNR mutant demonstrate that the Arg264 side chain is not critical for the nicotinamide orientation or for nicotinamide interaction with the isoalloxazine FAD moiety. However, this mutant showed altered behavior in its interaction and electron transfer with its protein partners, ferredoxin and flavodoxin.
Hot-Carrier- and Constant-Voltage-Stress-Induced Low-Frequency Noise in Nitrided High- $k$ Dielectric MOSFETs (2009)

Understanding and minimization of low-frequency noise (LFN) originating from high- k (HK) gate dielectrics in new generation MOSFETs are of critical importance to applications in RF, analog, and digital circuits. To understand the effect of stress conditions on noise, nMOSFETs were subjected to accelerated hot-carrier stress (HCS) and positive constant-voltage stress (CVS). The additional LFN introduced through stressing was evaluated on nMOSFETs with TiN metal gate and HfSiON gate dielectric. Nitridation of HfSiO gate-dielectric MOSFETs was achieved by either a high-temperature NH <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> anneal or a lower temperature plasma anneal. Influence of different dielectric nitridation procedures on the stress-induced degradation of transconductance, threshold properties, and LFN was studied. Worst degradation conditions, i.e., V <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">g</sub> = V <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">d</sub> , were used for HCS, whereas for CVS, the vertical field was fixed at 10 MV/cm for all transistors to achieve comparable stressing conditions. Plasma-nitrided devices showed less increase in their noise in the linear operation region than the thermally nitrided devices. This difference in noise behavior is attributed to the nitrogen profile across the HK/Si interface and in the bulk of the HK oxide caused by different nitridation techniques. The dielectric defect profile resultant from different annealing techniques was consistent with the spectral form of the observed drain-voltage LFN.
Litho-Fusion and HIFUsion: Alternative ways to generate hot bubbles? (2003)

The recent sonofusion experiments at Oak Ridge National Laboratory utilized standing acoustic wave fields that produced negative pressures of about 15 atm. The generated bubbles were thought to grow from around 100 nm to a maximum size of about 1 mm, before collapsing violently. There are other means for generating bubbles that grow to millimeter sizes. For example, in lithotripsy, a focused shock wave (Pa∼−100 atm) creates bubbles that grow to millimeter sizes. High-intensity focused ultrasound (HIFU) pulses can also generate large bubbles. Can these systems be used to investigate extreme bubble collapse violence? We will describe our efforts in generating and observing bubbles from these systems. If time permits, we will also point out that bubbles in a standing wave undergo translational motion, and this motion may lead to instabilities.
On the Construction of a Dynamic Vocal-Tract Model (1964)

A new technique for realizing a transmission-line (articulatory) analog of the human vocal tract is described. Essentially, the acoustic equations governing sound propagation in a cascade of short, circular cylinders are solved on a configuration of operational amplifiers, using the methods of analog computation to process the signal from source to output. The coefficients of the relevant equations are set by the use of digitally controlled attenuators in the signal paths, and hence the synthesis can be controlled in real time by a digital computer. Included is a description of the circuitry developed to date, with emphasis on the digitally controlled attenuators, and an analysis of stability and noise problems encountered in this approach. [Work supported in part by the U. S. Army Signal Corps, the U. S. Air Force Office of Scientific Research, and the U. S. Office of Naval Research; in part by the National Science Foundation (grant G-16526), the National Institutes of Health, U. S. Department of Health, Education, and Welfare (grants MH104737-03 and NB-04332-01), and the National Aeronautics and Space Administration (grant NsG-496); and in part by the U. S. Air Force (ESD) under contract AF19(628)3325.]
MO-D-I-6B-02: Active Matrix, Flat-Panel Imagers: From Rigid and Simple to Flexible and Smart (2005)

Almost two decades of intensive research and development have transformed the concept of capturing x-ray images with large area, solid-state devices based on active matrix addressing into a wide range of highly useful technologies. These digital technologies are based on the use of two-dimensional matrices of thin-film transistors utilizing amorphous silicon semiconductors, along with scintillator- or photoconductor-based x-ray converters. The numerous advantages of this general approach have led to the widespread introduction of active matrix, flat-panel imagers for projection and cone-beam tomographic applications in mammography, radiography, fluoroscopy, radiotherapy and other medical and industrial applications. However, it has become apparent that current devices suffer from a number of intrinsic limitations that affect their cost, performance, robustness, and form factor. Intriguingly, technologies emerging from on-going advances in displays offer the potential of enabling the creation of fundamentally different forms of active matrix x-ray imagers. These imagers would incorporate such innovations as flexible, plastic substrates or sophisticated in-pixel circuitry. In this presentation, an overview of possible directions for active matrix imager development will be presented, along with a description of the underlying advances in semiconductors and processing techniques that will drive these changes. In addition, the potential impact of such radically different forms of imagers upon performance, use and availability will be discussed. Educational Objectives: 1. Review strengths and limitations of present-day active matrix x-ray imagers. 2. Describe semiconductor- and processing-based enhancements that could circumvent these limitations 3. Summarize likely effects of the application of such innovations to active matrix imager design
Abstract 5226: Liver and blood miRNA alterations as putative biomarkers of hepatotoxic response to short-term furan exposure in mice (2014)

Abstract Epigenetic miRNA-based changes measured in accessible matrices may serve as useful biomarkers of environmental exposures and human health effects. We investigated miRNA profiles following short-term exposure to a known cytotoxic hepatocarcinogen, furan. We measured global liver and blood miRNA changes in female B3C6F1 mice exposed to furan for 3 weeks p.o. at daily doses of 0, 1, 2, 4, and 8 mg/kg. Small RNA was extracted from frozen samples using Exiqon miRCURY RNA Isolation kit and quantified by Qubit. RNA quality was checked by Nanodrop and Bioanalyzer, and liver miRNA were measured by miRNA-seq on the Illumina HiScanSQ platform. Blood miRNA were measured from pooled RNA samples by Affymetrix GeneChip v3 microarrays. In the liver, the 1, 2, 4, and 8 mg/kg doses resulted in 0, 10, 17 and 14 differentially altered miRNAs, respectively (&gt;1.5-fold; B-H corrected p-value&lt;0.05). The majority of miRNA changes in the low-dose exposure group (2mg/kg) were not seen with other treatments (7 of 10 miRNA). Conversely, most altered miRNA observed with high-dose (4 or 8 mg/kg) exposures were shared (10 miRNA), indicating different miRNA-mediated pathways for non-carcinogenic and carcinogenic furan exposures. Using Ingenuity Pathway Analysis (IPA), liver miRNAs altered by the carcinogenic doses of furan (4 and 8 mg/kg) significantly enriched (B-H corrected p-value&lt;0.05) functions related to cellular development, growth and proliferation, movement, cell cycle, death and survival; other categories identified by IPA were related to hepatotoxicity, liver inflammation, and cancer. Using predicted miRNA-mRNA interactions, 68 mRNAs were expressed in a contrasting pattern to miRNA expression (upregulated miRNA/downregulated mRNAs and vice versa). Associated mRNAs showed enrichment of pathways similar to miRNAs. Measurements in whole blood samples indicated that 6 out of the 21 miRNAs altered by the carcinogenic doses of furan were also altered in the blood (4 in the same direction). Blood miRNAs included mmu-miR-34a, -146b, -183, -5099 (upregulated), and -10a, -99b (downregulated). Results demonstrate distinctive miRNA profiles in rodent liver for carcinogenic doses of furan with corresponding changes for a subset of liver miRNAs in blood. Our findings support ongoing efforts to identify novel miRNA biomarkers in accessible matrices related to environmental health effects. This abstract does not necessarily reflect the policy of the US EPA. Citation Format: Brian Norris Chorley, Gail Nelson, Gleta Carswell, Holly Mortensen, James Crooks, William Ward, Charles Wood, Anna F. Jackson, Carole Yauk, Les Recio, Susan Hester. Liver and blood miRNA alterations as putative biomarkers of hepatotoxic response to short-term furan exposure in mice. [abstract]. In: Proceedings of the 105th Annual Meeting of the American Association for Cancer Research; 2014 Apr 5-9; San Diego, CA. Philadelphia (PA): AACR; Cancer Res 2014;74(19 Suppl):Abstract nr 5226. doi:10.1158/1538-7445.AM2014-5226
A three-dimensional actuated origami-inspired transformable metamaterial with multiple degrees of freedom (2016)

Reconfigurable devices, whose shape can be drastically altered, are central to expandable shelters, deployable space structures, reversible encapsulation systems and medical tools and robots. All these applications require structures whose shape can be actively controlled, both for deployment and to conform to the surrounding environment. While most current reconfigurable designs are application specific, here we present a mechanical metamaterial with tunable shape, volume and stiffness. Our approach exploits a simple modular origami-like design consisting of rigid faces and hinges, which are connected to form a periodic structure consisting of extruded cubes. We show both analytically and experimentally that the transformable metamaterial has three degrees of freedom, which can be actively deformed into numerous specific shapes through embedded actuation. The proposed metamaterial can be used to realize transformable structures with arbitrary architectures, highlighting a robust strategy for the design of reconfigurable devices over a wide range of length scales.
Histopathological Changes by Acetoacetate in Normal and Scorbutic Guinea Pigs. (1956)

The islets of Langerhans of scorbutic guinea pigs and those injected with acetoacetate were hypertrophied. Injection of acetoacetate into scorbutic animals caused further degranulation and degenerative changes. Acetoacetate brought about hypertrophy of renal cortex and scurvy caused atrophy of glomeruli. Combined treatment aggravated these degenerative changes. Both scurvy and acetoacetate caused central degeneration of liver and this is enhanced by the combined treatment. In agreement with histologic changes, biochemical findings indicate the toxicity of acetoacetate. Acetoacetate may be a prime factor in clinical development of diabetes.
Asymmetric Synthesis of Acyclic Amines Through Zr‐ and Hf‐Catalyzed Enantioselective Alkylzinc Reagents to Imines (2005)

Abstract Readily available chiral amino acid‐based ligands are used in metal‐catalyzed additions of alkylzinc reagents to various aromatic and aliphatic imines; the desired amine products are formed efficiently and in high levels of optical purity. In cases where the more Lewis acidic Zr salts afford lower efficiency, Hf‐based catalysts deliver significantly higher yields with similar enantioselectivities. Critical structural features of the N‐activating groups as well as the optimal chiral ligands are discussed. A mechanistic working model is presented to rationalize the existing data and to serve as a predictive tool.
Dielectric spectroscopy of the antiferroelectric PbHfO<sub>3</sub> (2000)

Abstract Dielectric studies of a PbHfO3 (lead hafnate) single crystal undergoing two structural phase transformations at about 163°C (436 K) and 209°C (482 K) were performed in broad frequency and temperature range. Special attention was paid to the paraelectric phase. Investigations of the complex dielectric permittivity in the frequency range 10 Hz to 10 MHz revealed two relaxations of polydispersive and nearly monodispersive (Debye-like) character connected with space charge behaviour. In the frequency range of 106-109Hz a polar relaxation mode has been found and related to a disorder in the Pb sublattice. Temperature dependence of the dielectric step of this relaxation corresponds to a sharp anomaly of the ε(T) function at the phase transition from the paraelectric to antiferroelectric state. Analysis of temperature evolution of the first order Raman light scattering spectra showed existence of a soft line at this transformation. Crossover of the displacive and order-disorder type of the transformation mechanism is thus postulated.
The preparation of primary alkyl and benzyl fluorides from the corresponding primary amines (1980)

N-Substituted 2,4,6-triphenylpyridinium fluorides (in contrast to these and other tetrafluoroborates) thermolyse to the corresponding primary alkyl and benzyl fluorides. The pyridinium fluorides are made from 2,4,6-triphenyl-pyrylium fluoride and the relevant amine.
Microwave Spectrum and Structure of Bicyclo[1.1.0]butane (1969)

The microwave spectra of four isotopic species of bicyclo[1.1.0] butane have been investigated and the rotational constants of each species have been determined. Combining these data with those of the previously studied normal isotopic species, a complete set of structural parameters have been found. These include C1–C3 = 1.497 Å, C3–C4 = 1.498 Å, C3–C6 = 1.071 Å, C–H (methylene) = 1.093 Å, ∠C1C3H6 = 128°22′, dihedral angle, α, between cyclopropane rings = 121°40′, ∠HCH = 115°34′. These results are discussed with regard to the electronic structure of the molecule.
ChemInform Abstract: Direct Synthesis of Anhydrous Alkali‐Metal Tetrafluorodioxouranates(VI) , A2(UO2F4) (I), and the First Synthesis of Alkali‐Metal Diaquatetrafluorodioxouranate(VI) Monohydrates, A2(UO2F4(H2O)2)× H2O (II) (A: Na, K or NH4). (1995)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Photovoltaic transistors based on a steady-state internal polarization effect in asymmetric semiconductor superlattices (1991)

In semiconductor superlattices lacking the reflection symmetry, transient internal polarization fields have previously been reported. We show that a modified structure can generate a steady-state photovoltage. We then propose a new class of photovoltaic transistors in which this voltage directly controls the conductivity of the transistor channel.