gebhart/patrepeval huggingface dataset:
Criteria of accuracy of resonance eigenvalues (1980)

Abstract Various criteria that have been suggested for assessing the accuracy of complex‐coordinate eigenvalues are critically tested in an application to the lowest helium 1 S resonance, and found to be relatively ineffective. An alternative criterion is described, based on a generalized stabilization procedure, which seems better able to select the “best” resonance eigenvalue and to guide the construction of variational trial functions.
Mechanochemical synthesis insights and solid-state characterization of quininium aspirinate, a glass-forming drug–drug salt (2021)

Quinine (an antimalarial) and aspirin (a nonsteroidal anti-inflammatory drug) were combined into a new drug-drug salt, quininium aspirinate, C<sub>20</sub>H<sub>25</sub>N<sub>2</sub>O<sub>2</sub><sup>+</sup>·C<sub>9</sub>H<sub>7</sub>O<sub>4</sub><sup>-</sup>, by liquid-assisted grinding using stoichiometric amounts of the reactants in a 1:1 molar ratio, and water, EtOH, toluene, or heptane as additives. A tetrahydrofuran (THF) solution of the mechanochemical product prepared using EtOH as additive led to a single crystal of the same material obtained by mechanochemistry, which was used for crystal structure determination at 100 K. Powder X-ray diffraction ruled out crystallographic phase transitions in the 100-295 K interval. Neat mechanical treatment (in a mortar and pestle, or in a ball mill at 20 or 30 Hz milling frequencies) gave rise to an amorphous phase, as shown by powder X-ray diffraction; however, FT-IR spectroscopy unambiguously indicates that a mechanochemical reaction has occurred. Neat milling the reactants at 10 and 15 Hz led to incomplete reactions. Thermogravimetry and differential scanning calorimetry indicate that the amorphous and crystalline mechanochemical products form glasses/supercooled liquids before melting, and do not recrystallize upon cooling. However, the amorphous material obtained by neat grinding crystallizes upon storage into the salt reported. The mechanochemical synthesis, crystal structure analysis, Hirshfeld surfaces, powder X-ray diffraction, thermogravimetry, differential scanning calorimetry, FT-IR spectroscopy, and aqueous solubility of quininium aspirinate are herein reported.
The FasLane to ocular pathology—metalloproteinase cleavage of membrane-bound FasL determines FasL function (2021)

Fas ligand (FasL) is best known for its ability to induce cell death in a wide range of Fas-expressing targets and to limit inflammation in immunoprivileged sites such as the eye. In addition, the ability of FasL to induce a much more extensive list of outcomes is being increasingly explored and accepted. These outcomes include the induction of proinflammatory cytokine production, T cell activation, and cell motility. However, the distinct and opposing functions of membrane-associated FasL (mFasL) and the C-terminal soluble FasL fragment (sFasL) released by metalloproteinase cleavage is less well documented and understood. Both mFasL and sFasL can form trimers that engage the trimeric Fas receptor, but only mFasL can form a multimeric complex in lipid rafts to trigger apoptosis and inflammation. By contrast, a number of reports have now documented the anti-apoptotic and anti-inflammatory activity of sFasL, pointing to a critical regulatory function of the soluble molecule. The immunomodulatory activity of FasL is particularly evident in ocular pathology where elimination of the metalloproteinase cleavage site and the ensuing increased expression of mFasL can severely exacerbate the extent of inflammation and cell death. By contrast, both homeostatic and increased expression of sFasL can limit inflammation and cell death. The mechanism(s) responsible for the protective activity of sFasL are discussed but remain controversial. Nevertheless, it will be important to consider therapeutic applications of sFasL for the treatment of ocular diseases such as glaucoma.
Phenol red in the culture medium strongly affects the susceptibility of human MCF-7 cells to roscovitine (2007)

Estrogens play an important role in the growth and terminal differentiation of the mammary gland. Prolonged exposure to estrogens seems to predispose women to breast cancer. It recently became evident that not only the intrinsic hormonal status but also external factors such as the occurrence of pharmaceuticals and chemicals with hormone activity in the environment may put women at greater risk of developing breast cancer. We focused on the interference of endocrine disruptors in breast cancer therapy. We observed that phenol red added to the culture medium strongly promoted the cell proliferation and cell cycle progression of human cells expressing the estrogen receptor, and affected their susceptibility to chemotherapy.
Surface Ionization on Metal Oxide Gas Sensors (2012)

In this work we present the development of surface ionization (SI) gas sensors with planar layout based on bundles of nanorods. We exploit a simple method, compatible with planar deposition techniques, to integrate the layer of nanorods into the functional device. The comparison between the same device provided and not provided with the nanorod layer shows that the measured signal arises from nanorods and not from the Pt electrodes. We further show that the adopted configuration and the exploitation of the nanorod morphology allow to reduce the working temperature from 600-900 °C to 300-400 °C and the voltage bias form 10000 V/cm to 1500 V/cm with respect to the traditional vertical layout.
Internal energy effects in the collision‐induced dissociation of large biopolymer molecular ions produced by electrospray ionization tandem mass spectrometry of cytochrome c (1990)

Abstract The effects of internal energy upon metastable and collision‐induced dissociation (CID) processes observed in the tandem mass spectrometry of multiply protonated molecules of horse‐heart cytochrome c (M r 12360) are described. The internal energy of the multiply protonated (15H + ) molecules (at m/z 825) formed by electrospray ionization (ESI) was manipulated using electric fields in the atmospheric pressure/vacuum interface region. Highly efficient CID is obtained for molecular ions collisionally activated in the ESI interface. The dissociation efficiency at 3.8 eV to 5.8 eV (center of mass) collision energies for internally “hot” molecular ions under multiple collision conditions in a triple quadrupole mass spectrometer is shown to be much greater than for “cold” ions. The CID spectra show dramatic effects due to internal energy, with charge stripping dominating for cold ions (where CID efficiency is very low) and extensive fragmentation observed for hot ions.
Bounding Multiple Unicasts through Index Coding and Locally Repairable\n Codes (2014)

We establish a duality result between linear index coding and Locally\nRepairable Codes (LRCs). Specifically, we show that a natural extension of LRCs\nwe call Generalized Locally Repairable Codes (GLCRs) are exactly dual to linear\nindex codes. In a GLRC, every node is decodable from a specific set of other\nnodes and these sets induce a recoverability directed graph. We show that the\ndual linear subspace of a GLRC is a solution to an index coding instance where\nthe side information graph is this GLRC recoverability graph. We show that the\nGLRC rate is equivalent to the complementary index coding rate, i.e. the number\nof transmissions saved by coding. Our second result uses this duality to\nestablish a new upper bound for the multiple unicast network coding problem. In\nmultiple unicast network coding, we are given a directed acyclic graph and r\nsources that want to send independent messages to r corresponding destinations.\nOur new upper bound is efficiently computable and relies on a strong\napproximation result for complementary index coding. We believe that our bound\ncould lead to a logarithmic approximation factor for multiple unicast network\ncoding if a plausible connection we state is verified.\n
Design of a small size microstrip antenna proximately coupled to a hook shape probe (2002)

Personal mobile communications requires small size and lightweight antennas with wideband performance. Also, multi-bands antennas are needed. The design of such antennas was based on ad hoc experimental investigations. With the advancement in numerical method and its accuracy with ease of its use in the analysis of complex structures, many new small antennas are designed [1-2]. Microstrip antennas are widely used in these applications because of its lightweight. It is well known that bandwidth of the microstrip antenna patch can be increased by increasing the dielectric substrate thickness and using dielectric substrate with low dielectric constant. If the microstrip patch is excited by a coaxial probe (central conductor electrically connected to the patch), when the thickness exceeds about 0.05λ ˚ , the lead inductance prevents the direct matching of the antenna to the widely used 50ω transmission lines. Therefore, wideband small microstrip antennas are developed based on thick air filled substrates and modifications for the probe shape [2] or using a U-slot on the patch [3]. To have efficient coupling between the proximity coupling probe with the patch an L-shaped probe is used and proved to be an efficient excitation mechanism that achieves wide matching frequency band. The same excitation mechanism has been used with different microstrip patch geometries [4]. To further reduce the patch antenna size, the patch that is excited by modes that has null electric field at its middle is cut to half the size and short the patch from one end to the ground plane. This will almost keep the same operating frequency band, but the radiation patterns become different from that of the full size patch because the shorted patch radiates only from one edge. It is also known that increasing the width of the radiating edge increases the rectangular patch bandwidth.
Optimizing motion-vector accuracy in block-based video coding (2001)

All motion-vectors are encoded with the same tired accuracy, typically 1/2-pixel accuracy, but the best motion-vector accuracies are not known. We present a theoretical framework to find the motion-vector accuracies that minimize the total encoding rate with this type of coder, for the classical case where all motion-vectors are encoded with the same accuracy, and for new cases where the accuracy is adapted on a frame-by-frame or block-by-block basis. To do this, we analytically model the effect of motion-vector accuracy and show that the energy in a block of the difference frame is approximately quadratic in the accuracy of the block's motion-vector. This energy-accuracy model is then used to obtain expressions for the total bit rate (motion rate plus difference frame rate) in terms of the blocks' motion accuracies and other key parameters. Minimizing these expressions leads to simple formulas that indicate how to choose the best motion-vector accuracies for this type of coder. These formulas also show that the motion accuracy must increase where more texture is present and decrease when there is much scene noise or when the level of compression is high. We implement several entropy and MPEG-like video coders based on our analysis and present experimental results on synthetic and real video sequences. These results suggest that our formulas are accurate and that significant bit rate savings can be achieved when our optimization procedures are used.
Periodic Broadcast Type Timing Reservation MAC Protocol for Inter-Vehicle Communications (2009)

The present study investigates a Medium Access Control (MAC) protocol for reliable inter-vehicle communications (IVC) to support safe driving with the goal of reducing road traffic accidents. A number of studies have evaluated the performance of the Carrier Sense Multiple Access with Collision Avoidance (CSMA/CA) protocol. However, the communication quality provided by the CSMA/CA protocol is degraded seriously by the hidden terminal problem in IVC. Therefore, we propose a new MAC protocol, referred to as Periodic BroadcastTiming Reservation Multiple Access (PB-TRMA), which can autonomously control transmission timing and avoid packet collisions by enhancing the Network Allocation Vector (NAV) for periodic broadcast communications. The simulation results show that the proposed protocol can resolve the hidden terminal problem and mitigate data packet collisions. Moreover, the behavior of PB-TRMA is similar to that of Time-Division Multiple Access (TDMA).
From Solid‐Solution Electrodes and the Rocking‐Chair Concept to Today's Batteries (2019)

Lithium-ion batteries (LIBs) have become ubiquitous power sources for small electronic devices, electric vehicles, and stationary energy storage systems. Despite the success of LIBs which is acknowledged by their increasing commodity market, the historical evolution of the chemistry behind the LIB technologies is laden with obstacles and yet to be unambiguously documented. This Viewpoint outlines chronologically the most essential findings related to today's LIBs, including commercial electrode and electrolyte materials, but furthermore also depicts how the today popular and widely emerging solid-state batteries were instrumental at very early stages in the development of LIBs.
ortho-Quinol Acetate Chemistry: Reactivity toward Aryl-Based Nucleophiles and Applications to the Synthesis of Natural Products (2017)

Two model ortho-quinol acetates were easily prepared by iodane-mediated acetoxylative phenol dearomatization and evaluated for their reactivity toward various aryl-based nucleophiles, i.e., aryl metallic reagents and phenolic derivatives. Novel modes of reactivity, allowing the formation of biaryl linkages, were revealed and here exploited for the synthesis of two natural phenolics.
Preparation of water soluble silicon compound and its application for synthesis of (Y,Ce,Gd)2SiO5 blue emission phosphor (2009)

A novel water-soluble silicon compound was synthesized by the reaction between tetraethoxysilane (TEOS) and propylene glycol. This compound is stable in aqueous solutions and miscible with water in any ratio. The potential of this new silicon reagent for synthesis of multicomponent silicate by solution based techniques was evaluated by preparation of the (Y,Ce,Gd)2SiO5 blue emission phosphor using a polymerizable complex method. Phase compositions and fluorescence properties of the prepared material was compared against reference samples prepared by either conventional solid state reaction or by a polymerizable complex method employing the other silicon reagents. It was revealed the application of new water-soluble silicon compound as a reagent for synthesis resulted in the formation of a single phase (Y,Ce,Gd)2SiO5 material at reduced temperatures and its fluorescence intensity considerably outperformed those of the phosphors prepared by the other methods in this work.
AN UNDERWATER SOUND SOURCE WITH HIGHER SEISMIC EFFICIENCY * (1968)

ABSTRACT In order to increase the seismic efficiency of the Sparker‐system developments were made in 1966/67. Results illustrating the main steps of this development are discussed. A new type of electrode called Transploder electrode was field‐tested and proved to be promising.
Kinetic Characterization of the Chymotryptic Activity of the 20S Proteasome (1996)

In this paper, we report kinetic studies for the chymotryptic activity of the 20S proteasome. Major observations include the following: (1) Reaction progress curves that are recorded at concentrations of Suc-Leu-Leu-Val-Tyr-AMC greater than about 40 microM are biphasic and characterized by initial velocities that decay by a first-order process to final, steady-state velocities. (2) Also at [Suc-Leu-Leu-Val-Tyr-AMC] > 40 microM, initial and steady-state velocities are smaller than predicted from simple, Michaelis-Menten kinetics. (3) The first-order rate constant for the approach to steady-state has a complex dependence on substrate concentration and decreases sigmoidally as substrate concentration increases. These results indicate that the 20S proteasome is a hysteretic enzyme and is subject to substrate inhibition. To explain these observations we propose a minimal kinetic model with two critical mechanistic features: (1) the 20S proteasome has two cooperative active sites for Suc-Leu-Leu-Val-Tyr-AMC and (2) there are two interconvertible conformers of active 20S proteasome. To probe this mechanism in greater detail, we explored the kinetic mechanism of inhibition of the 20S proteasome-catalyzed hydrolysis of Suc-Leu-Leu-Val-Tyr-AMC by the peptide aldehyde, Ac-Leu-Leu-Nle-H. Our studies reveal a nonlinear dependence of reciprocal steady-state velocity on inhibitor concentration (i.e., parabolic inhibition) as well as a nonlinear dependence of the apparent inhibitor dissociation constant on substrate concentration. Both of these observations are explained by binding of inhibitor at multiple sites on the enzyme. Taken together, the results of this study indicate that the 20S proteasome is a conformationally flexible protein that can adjust to the binding of ligands and that has multiple and cooperative active sites. These results support a view of the proteasome's substrate specificity in which (1) substrates are recognized and hydrolyzed by more than one active site; (2) each active site can bind substrates that possess a variety of P1 residues; and (3) the P1 residue plays a relatively minor role as a specificity determinant. Finally, we interpret the results of this study to suggest that, in vivo, the 20S proteasome requires conformational plasticity for its interactions with regulatory complexes and, after it has combined with appropriate regulatory complexes, to catalyze hydrolysis of proteins.
Microsecond Simulation Analysis of Carbonic Anhydrase – II in Complex with (+)- Cathechin Revealed Molecular Interactions Responsible for Its Amelioration Effect on Fluoride Toxicity (2020)

Fluorosis is a chronic condition caused by overexposure to fluoride, marked by impaired dental, skeletal, and non-skeletal health. In presence of excess fluoride ions, in severe cases calcification of the ligaments observed. Earlier studies have suggested that the disruption of carbonic anhydrase activity via ionic homeostasis change was associated with F toxicity. In a recent study, it was demonstrated that Tamarind fruit extract was effective in increasing the urinary F excretion in male Wistar rats via studying the mRNA expression of carbonic anhydrase II (CA II) in kidney homogenates using western blotting, immunohistochemistry and quantitative Realtime PCR based studies. We have carried out this study to understand the detailed molecular level interactions responsible for this tamarind extract based (+)-cathechin compound towards lowering the F toxicity via targeting CA-II. From our study, it was revealed that due to the ability of (+)-cathechin compound to bind tightly filling complete available space at the catalytically important site forming metal coordinated ionic bonds with His94, His96 and His119 residues helps in restricting F ions to interact with Zn ion located at the core of catalytic site responsible for its functionality. On the other hand, interaction of (+)-cathechin compound with Gln92 was observed to be critically important towards inducing conformational changes in CA-II, thus allowing (+)-cathechin compound to burry even deeply inside the catalytic site.
Cultivating edible fungi : proceedings (1987)

(Abbreviated Titles): Biology & Microbiology. Antitumor activities of edible mushrooms by oral administration. La France disease of Agaricus bisporus. Variability of fluorescent Pseudomonas populations in composts and casing soils for mushroom culture. Influence of microorganisms and fungistasis on sporophore initiation in A. brunnescens. Nutritional influences on Volvariella volvacea growth in Puerto Rico. Kratovirulence determinant of wood-decay fungi in transfer of Mycelia to, and Basidiocarp formation on, wooden raw substrates. Spent compost as a carrier for bacterial inoculant production. Studies on spore germination of Pholiota destruens (Brond) Gillet. Physiology & Nutrition. Effects of growth regulator compounds on yield and size of commercial mushroom, A. bisporus. Indoor static composting for mushroom (A. bisporus Lge Sing) cultivation. Nutrient supplementation for A. bisporus cultivation. Effect of benomyl application and SpawnMate supplementation on yield and size of selected genotypes of Pleurotus spp. Changes in free amino acid content of compost during growth and development of A. bisporus. Preliminary studies on effect of plant extracts on mycelial growth and yield of A. bisporus and fungal flora in compost. Physiological studies on P. destruens: carbon and nitrogen utilization. Genetics & Cytology. The chaetaceous case of the Chaste Champignon. Basidiospore number variation in Agaricus. Nuclear number of heterocaryotic fungal cells. Genetic diversity between isolates of Pleurotus ostreatus as revealed by isozyme analysis. Strategies for conservation of genetic resources. Germplasm preservation of edible fungi in culture through cryogenic storage. Collection and conservation of genes of Lentinus. Evidence for involvement of plasmids in sporophore initiation and development in A. bisporus. Food Science & Mushroom Quality. Evaluation of textural changes related to postharvest quality and shelf life of fresh mushrooms. Influence of reduced cropping temperature and addition of chalk to casing layer on yield, quality and shelf life of fresh mushrooms. Effects of growing temperature on first break mushrooms. Effect of type of peat casing layer and addition of calcium chloride to watering treatments on quality and shelf life of fresh mushrooms. Evaluation of bacterial populations associated with fresh mushrooms A. bisporus. Cultural aspects affecting the consistent production of good quality closed hybrid mushrooms. Mushroom pest complex: effect on yield and quality. Some developments of mushroom processing. Pathology & Entomology. Recent experience in detecting viral double-stranded RNA in commercial mushroom crops and effect on yield. Physiology and morphology of Sepedonium niveum. Assessment of Chinese straw mushroom (Volvariella volvacea) fungal competitors on sugarcane bagasse. Evolution of phytopathological situation in the French caves. Bacterial diseases of edible mushrooms and their control.
Interpretable and Efficient Interferometric Contrast in Scanning Transmission Electron Microscopy with a Diffraction-Grating Beam Splitter (2018)

Electron microscopes can image atoms in solids, molecules, and fields, but typically a different imaging method is used for each. The authors demonstrate a technique called scanning transmission electron microscopy (STEM) holography that is highly sensitive to electric and magnetic fields, is capable of subatomic resolution, and is efficient enough to minimize degradation of easily-damaged materials. With a single STEM holographic image, one could distinguish crystallized clusters on the surface of a nanoparticle and detect an electric field due to charging of the particle. All it takes is one diffraction grating installed in any TEM with a high-throughput camera.
ChemInform Abstract: Carboranyl Esters of Selenium‐Containing Phosphorus(V) Acids. (1991)

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.