gebhart/patrepeval huggingface dataset:
Electronic and Band Structure Tuning of Ternary Semiconductor Photocatalysts by Self Doping: The Case of BiOI (2010)

Foreign nonmetal or metal element doping has been widely used to tailor the electronic and band structures of wide band gap binary oxide semiconductor photocatalysts, extending their absorption edges into the visible light range for better utilization of solar light. Besides doping with foreign elements, self-doping can also tune the electronic and band structures of semiconductor photocatalysts but only limited to binary metal oxides, such as oxygen-deficient TiOx (x < 2). In this study, we demonstrate that self-doping is able to tune the electronic and band structures of ternary semiconductor photocatalysts and thus significantly enhance their photocatalytic activities by utilizing BiOI as the example. Density functional theory calculations revealed that iodine self-doping could effectively tune the electronic structures of BiOI. Motivated by the calculations, iodine self-doped bismuth oxyiodide photocatalysts were synthesized with a soft chemical method to illustrate this band structure tailoring approach. Experimental results confirmed that self-doping could change the electronic structures to intrinsically improve the optical absorption property and charge transfer ability, thus enhancing the photocatalytic activity of ternary semiconductors. Meanwhile, the intense absorption with a steep absorption edge of self-doped ternary semiconductors is different from that of foreign elements doped TiO2 with discrete bands, confirming this is a novel electronic and band structure tuning method. This successful band structure tailoring example of ternary semiconductors suggests the self-doping strategy could be general to develop novel visible light driven ternary photocatalysts with enhanced performances.
Effects of ice number concentration on dynamics of a shallow mixed-phase stratiform cloud (2011)

[1] Previous modeling studies have shown high sensitivity of mixed-phase clouds to ice number concentration, Ni, with simulated clouds often transitioning from mixed-phase to ice-only regime within a narrow range of Ni. To better understand the mechanisms behind this transition, we analyze several simulations of a mixed-phase stratiform Arctic cloud observed on 26 April 2008 during the Indirect and Semi-Direct Aerosol Campaign (ISDAC). In the BASE run, Ni is constrained to match the measured value and a persistent mixed-phase cloud is formed, with properties similar to those observed. When Ni is quadrupled (HI_ICE) the liquid water path is reduced by half within two hours. The changes in liquid water are accompanied by diminishing radiative cooling and slowing vertical mixing, exposing complex interactions among microphysics, radiation and dynamics. Deviations of BASE and HI_ICE from a simulation without ice are used to explore the linearity of the model response to variation in Ni. It is shown that early changes in cloud condensate amount and radiative cooling rate are proportional to Ni, while changes in the vertical buoyancy flux and dynamics are qualitatively different in HI_ICE compared to BASE. The nonlinear (with respect to Ni) reduction in buoyancy flux drives the initial response of the mixed layer dynamics to the appearance of ice and subsequently determines the sustainability of liquid water in the cloud in this case. Two additional sensitivity experiments link the decreased buoyancy production to the latent heat release from the depositional ice growth while confirming the importance of the cloud-radiation feedback.
OhrR, a transcription repressor that senses and responds to changes in organic peroxide levels in Xanthomonas campestris pv. phaseoli (2002)

We report the physiological role of OhrR as an organic peroxide sensor and transcription repressor in Xanthomonas campestris pv. phaseoli. In vivo exposure of X. campestris pv. phaseoli to either tert-butyl or cumene hydroperoxides efficiently neutralized OhrR repression of expression from the OhrR-regulated P1 promoter. H2O2 was a weak and non-physiological inducer of the system while other oxidants and metabolites of organic peroxide metabolism did not induce the expression from the P1. Northern blotting results indicated a correlation between concentrations of tert-butyl hydroperoxide used in the treatment and the induction of ohr (an OhrR-regulated gene) expression. In addition, the levels of ohr mRNA in cultures induced by various concentrations of tert-butyl hydroperoxide were reduced in cells with high levels of an organic peroxide metabolising enzyme (AhpC-AhpF) but not in cells with high catalase levels suggesting that organic peroxide interacts with OhrR. DNA band shift experiments using purified OhrR and the P1 promoter fragment showed that organic peroxide treatment prevented binding of the protein to the P1 promoter by oxidation of OhrR, as the inhibition of binding to the P1 promoter was reversed by addition of a reducing agent, DTT. The highly conserved cysteine residue C22 of OhrR is required for organic peroxide inducible gene expression. A mutant protein, OhrRC22S can repress the P1 promoter activity but is insensitive to organic peroxide treatment. Thus, OhrR is the first transcription repressor characterized that appeared to evolve to physiologically sense organic peroxides.
Carotenoids in the Fungi Mucorales (1961)

Crop Production/Industries, Production Economics
Cu(OTf)2 Catalyzed Synthesis of Bis(5‐methyl‐2‐furyl)methanes by Condensation of 2‐Methylfuran with Carbonyl Compounds under Solvent Free Conditions (2011)

Abstract A facile and efficient one‐pot three‐component synthesis of bis(5‐methyl‐2‐furyl)methanes has been achieved via the reaction of 2‐methylfuran with a series of aliphatic and aromatic aldehydes and aliphatic ketones in presence of copper(II) triflate under solvent free conditions. The bis(5‐methyl‐2‐furyl)methanes were obtained in 34% –72% yields and the catalyst was recycled up to four successive cycles without much loss in catalytic activity.
A Novel Modelling Methodology for Underfill Molding Process On 2.2D Heterogeneous Integrated Substrate (2022)

A novel methodology of 3D CAE modeling of capillary underfill of multi-chip packages with a large number of micro bumps is employed in this study. The capillary underfill flow is mainly driven by the surface-tension force based on the contact angle between bumps and substrate. On the other hand, the propagation of the melt front is mainly dominated by the dispensing design of underfill and the distribution of micro bumps. For the simulation of dispensing behavior, 3D modeling is unavoidable. However, the computing cost will become unaffordable due to the number of bumps. To ease the computing cost, an equivalent technique -The Equivalent Bump Group (EBG) model is proposed to the simulation. A simple package is studied to validate the proposed methodology. The case shows that the modeling solution of melt front by EBG model has a good agreement to the detailed model by according dispensing passes. Therefore, it is convinced that the proposed methodology provides a promising simulation solution for the microchip encapsulation for multi-chip packages with large number of micro bumps. A study for a multi-array package of different dispensing designs by EBG model is also conducted. The result shows that filling time can be predicted to get the best dispensing design with minimum filling time.
Polyester synthases: natural catalysts for plastics (2003)

Polyhydroxyalkanoates (PHAs) are biopolyesters composed of hydroxy fatty acids, which represent a complex class of storage polyesters. They are synthesized by a wide range of different Gram-positive and Gram-negative bacteria, as well as by some Archaea, and are deposited as insoluble cytoplasmic inclusions. Polyester synthases are the key enzymes of polyester biosynthesis and catalyse the conversion of (R)-hydroxyacyl-CoA thioesters to polyesters with the concomitant release of CoA. These soluble enzymes turn into amphipathic enzymes upon covalent catalysis of polyester-chain formation. A self-assembly process is initiated resulting in the formation of insoluble cytoplasmic inclusions with a phospholipid monolayer and covalently attached polyester synthases at the surface. Surface-attached polyester synthases show a marked increase in enzyme activity. These polyester synthases have only recently been biochemically characterized. An overview of these recent findings is provided. At present, 59 polyester synthase structural genes from 45 different bacteria have been cloned and the nucleotide sequences have been obtained. The multiple alignment of the primary structures of these polyester synthases show an overall identity of 8-96% with only eight strictly conserved amino acid residues. Polyester synthases can been assigned to four classes based on their substrate specificity and subunit composition. The current knowledge on the organization of the polyester synthase genes, and other genes encoding proteins related to PHA metabolism, is compiled. In addition, the primary structures of the 59 PHA synthases are aligned and analysed with respect to highly conserved amino acids, and biochemical features of polyester synthases are described. The proposed catalytic mechanism based on similarities to alpha/beta-hydrolases and mutational analysis is discussed. Different threading algorithms suggest that polyester synthases belong to the alpha/beta-hydrolase superfamily, with a conserved cysteine residue as catalytic nucleophile. This review provides a survey of the known biochemical features of these unique enzymes and their proposed catalytic mechanism.
On the Dynamics and Significance of Low Frequency Components of Internet Load (1992)

Dynamics of Internet load are investigated using statistics of round-trip delays, packet losses and out-of-order sequence of acknowledgments. Several segments of the Internet are studied. They include a regional network (the Jon von Neumann Center Network), a segment of the NSFNet backbone and a cross-country network consisting of regional and backbone segments.\nIssues addressed include:\n(a) dominant time scales in network workload;\n(b) the relationship between packet loss and different statistics of round-trip delay (average, minimum, maximum and standard-deviation);\n(c) the relationship between out of sequence acknowledgments and different statistics of delay;\n(d) the distribution of delay;\n(e) a comparison of results across different network segments (regional, backbone and cross-country); and\n(f) a comparison of results across time for a specific network segment.\nThis study attempts to characterize the dynamics of Internet workload from an end-point perspective. A key conclusion from the data is that efficient congestion control is still a very difficult problem in large internetworks. Nevertheless, there are interesting signals of congestion that may be inferred from the data. Examples include (a) presence of slow oscillation components in smoothed network delay, (b) increase in conditional expected loss and conditional out-of-sequence acknowledgments as a function of various statistics of delay, (c) change in delay distribution parameters as a function of load, while the distribution itself remains the same, etc. The results have potential application in heuristic algorithms and analytical approximations for congestion control.
A universal route to improving conjugated macromolecule photostability (2014)

This predictive study demonstrates that the introduction of aromatic-oxy-alkyl links surprisingly makes materials more resistant to photo-oxidative degradation by reducing hydrogen abstraction. This revelation makes it possible, for the first time, to design a toolbox of substituents for soluble, photostable conjugated materials.
ChemInform Abstract: PEPTIDES AS CARRIERS OF CYTOTOXIC GROUPS, INTERACTION SPECIFICITY OF THE PEPTIDE MOIETY WITH DNA PART 1 (1974)

Abstract Nach der Methode der gemischten Anhydride werden nach Hydrogenolyse der resultierenden Benzyloxycarbonyldipeptide die Dipeptidester (I) und (II) dargestellt.
Neutralization of TNF by the Antibody cA2 Reveals Differential Regulation of Adhesion Molecule Expression on TNF-Activated Endothelial Cells (1998)

Upregulation of adhesion proteins plays an important role in mediating inflammation. The induction of adhesive molecules has been well studied, but the reversibility of their expression has not been well characterized. A neutralizing anti-TNF monoclonal antibody (cA2) was used to study the down regulation of TNF-induced E-selectin, vascular cell adhesion molecule-1 (VCAM-1) and intercellular adhesion molecule-1 (ICAM-1) on cultured human umbilical vein endothelial cells (HUVECs). Addition of cA2 following TNF stimulation of HUVECs enhanced the rate of E-selectin and VCAM-1 down-regulation from the cell surface and also reduced steady state E-selectin and VCAM-1 mRNA levels. The cA2-mediated disappearance of E-selectin, but not VCAM-1 protein was microtubule and not microfilament dependent. Neutralization of TNF only slightly reduced ICAM-1 cell surface levels following initial TNF stimulation, suggesting a slower turnover of ICAM-1 compared to E-selectin and VCAM-1. Microtubule inhibition during TNF stimulation partially inhibited E-selectin, VCAM-1 and ICAM-1 mRNA upregulation. VCAM-1 and ICAM-1 cell surface expression were similarly partially inhibited, however, E-selectin levels were unaffected, presumably due to the dual, opposing effect of inhibiting protein expression and inhibiting internalization. Microfilament inhibition during protein induction specifically inhibited the maximal expression of VCAM-1 protein and mRNA, without affecting E-selectin or ICAM-1. These data support the notion that E-selectin, VCAM-1, and ICAM-1 expression are differentially regulated on HUVECs and suggest that TNF neutralizing therapies may be effective because of their ability to reduce the levels of pre-existing adhesion proteins.
Robust spread-spectrum audio watermarking (2002)

We present several mechanisms that enable effective spread-spectrum audio watermarking systems: prevention against detection desynchronization, cepstrum filtering, and chess watermarks. We have incorporated these techniques into a system capable of reliably detecting a watermark in an audio clip that has been modified using a composition of attacks that degrade the original audio characteristics well beyond the limit of acceptable quality. Such attacks include: fluctuating scaling in the time and frequency domain, compression, addition and multiplication of noise, resampling, requantization, normalization, filtering, and random cutting and pasting of signal samples.
Acromioclavicular joint subluxation is rare in rheumatoid arthritis. A radiographic 15-year study. (1999)

Two of the 148 acromioclavicular joints fulfilled criteria for subluxation with method B. Neither measurement A nor measurement B differed significantly between unaffected joints (Larsen's grade 0 or 1) and affected joints (Larsen's grade > or = 2). In addition, neither measurement was correlated with the stage of acromioclavicular joint destruction (r < 0.10 for both measurements). Measurements A and B were significantly correlated to each other (r = 0.23; 95% CI, 0.07 to 0.38). The two subluxations (one upward and one downward) occurred among the nine joints with the most severe destructive lesions (Larsen's grade 5). In conclusion, acromioclavicular joint subluxation is rare in rheumatoid arthritis, occurring only when destruction of the joint is severe. The method B used in this study may prove useful for both population studies and routine clinical work.
Prospects of target nanostructuring for laser proton acceleration (2017)

In laser-based proton acceleration, nanostructured targets hold the promise to allow for significantly boosted proton energies due to strong increase of laser absorption. We used laser-induced periodic surface structures generated in-situ as a very fast and economic way to produce nanostructured targets capable of high-repetition rate applications. Both in experiment and theory, we investigate the impact of nanostructuring on the proton spectrum for different laser-plasma conditions. Our experimental data show that the nanostructures lead to a significant enhancement of absorption over the entire range of laser plasma conditions investigated. At conditions that do not allow for efficient laser absorption by plane targets, i.e. too steep plasma gradients, nanostructuring is found to significantly enhance the proton cutoff energy and conversion efficiency. In contrast, if the plasma gradient is optimized for laser absorption of the plane target, the nanostructure-induced absorption increase is not reflected in higher cutoff energies. Both, simulation and experiment point towards the energy transfer from the laser to the hot electrons as bottleneck.
Composite concrete slab and LVL flooring systems (2020)

Composite concrete slab and timber flooring systems are commonly used in many parts of the world to exploit the high strength-to-weight ratio of timber and the good acoustic separation provided by concrete floor slabs. This paper describes the results of an experimental programme that investigated the suitability of a range of connectors to transfer shear between a slab and a laminated veneer lumber (LVL) beam. Surface notches in the LVL beam that are reinforced with coach screws are shown to provide the greatest stiffness and strength, as well as favourable post-peak behaviour. The behaviour of full-scale concrete-LVL composite beams that were tested to failure is also described. The feasibility of using proprietary lightweight concrete panels for the slab, and using straight and draped prestressing tendons is also explored. The best cost-to-benefit ratio is shown to be provided by the plain composite structure where, again, the connection system is the most important aspect of providing good structural performance.
ChemInform Abstract: Low Coordinated Phosphorus Compounds. Part 62. Valence Isomerization of λ3‐Monophosphahexadienes and λ3‐Monophosphahexenynes. (1988)

Abstract (3,3')‐Phospha‐carbon Cope rearrangements, hitherto known from tetraand diphosphahexadienes, are observed for the first time with monophosphahexadienes (III) and a monophosphahexenyne (VII).
THE SOCIOLOGICAL STUDY OF ATTITUDE TO CHILD BEARING AND IT’S SOME RELATED FACTORS (CASE STUDY: MARRIED YOUTH IN TABRIZ CITY) (2010)

Child bearing is one of the most vital elements in Demography science, which has absorbed many attentions in social fields. In according to the importance of population transition in the 4 recent decades, as well as social and economic impacts on Child bearing, this survey is supposed to consider the relation between religious tendency, social beliefs, social cooperation and economic advantages with the rate of tendency to Child bearing with each of their effect on this case, which can be done by the usage of  Veber, Esterlin, Fazio and Durkheim theories. The method is a survey. In order to gather data “Questionnaire has been used. The statistical population contains married youth in Tabriz, being chosen by Random Sampling and with the use of Cochran formula 386 people are selected. For descriptive analysis, SPSS software and for the multi structural variables analysis, LISREL is used. Totally, result indicates that used independent variable could explain 22%.  of dependant variable variance. Also result showed there are reverse effect of social participation and increasingly effect of Religious Tendency on the rate of tendency to child bearing.
Scalability of a Time- and Cost-Effective Procedure for the Synthesis of Picryl Bromide (2019)

An optimized synthetic procedure for the manufacture of picryl bromide on a 300 g scale is described. Previous procedures had different drawbacks such as two or more separate nitration steps with varying mixed acids, a complicated workup and purification procedure, expensive starting materials, or very long reaction times. An optimized and time-efficient method on a laboratory scale was described in an earlier conference contribution. The one-pot nitration of bromobenzene using a 5:1 mixed acid consisting of oleum (30%) and white-fuming nitric acid (10 equiv) was developed to prove the technical scalability of the reaction. By application of the optimized reaction parameters to a large-scale environment, crude picryl bromide yields of up to 72% can be achieved. The product contains only a minor picric acid impurity (2–3%), which is formed during the aqueous workup step. It can be removed by a single recrystallization from boiling chloroform to afford the target compound in pure form. This method combines the use of cheap materials with a time-efficient route of synthesis and a simple purification step, which is an improvement compared with the state-of-the-art methods.
D-band SiGe transceiver modules based on silicon-micromachined integration (2019)

This paper reports on 130 GHz transceiver modules consisting of integrated multi-functional chipsets in a commercial 130nm SiGe BiCMOS process. The interconnect between the chipset and the package is non-galvanic and is realized in silicon micromachining technique. After successful fabrication and assembly, the individual Tx and Rx modules as well as the combined Tx-Rx link were tested using CW signals. Then realtime data transport over the link were carried out using different modulation formats and bandwidths. With 16QAM over a 750 MHz channel a 2.66 Gbit/s data rate was demonstrated with BER<; 10 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">-11</sup> . These tests show that the D-band modules, obtained in a single implementation trial, work well functionally. The interconnect method is applicable to the full D-band and expected to also support frequencies in the sub-millimeter-wave range where traditional methods become challenging to apply.
Effects of roundness of laser formed film cooling holes on fatigue life of nickel based single crystal (2014)

A form of plate specimen with a laser formed film cooling hole was designed to simulate Ni based single crystal cooling blade. The roundness error of the holes was obtained by image measuring instrument and low cycle fatigue (LCF) experiments were carried out at 900°C. The profile of real film cooling hole was assumed to be an ellipse and the roundness error was expressed as the difference of the major and minor radii of the ellipse. A group of elliptical holes with different roundness errors and a real hole were selected for finite element modelling. A crystallographic plastic finite element method (FEM) was used to analyse the resolved shear stress, damage distribution and LCF life of the models. Experimental and numerical results show that the fatigue crack growth path observed by optical microscopey is consistent with FEM analysis. A slip damage model based on crystallographic plastic theory is confirmed to have the ability to predict the LCF life of nickel based single crystal with consideration of roundness. Moreover, the roundness error can lead to a significant decreasing of the life of specimen with cooling hole and the larger the roundness error, the shorter the LCF life. An approximate quadratic curve is found to fit the relationship between the roundness error of hole and the logarithmic fatigue life.