Miracle-dz/UniFAR-FTUs huggingface dataset:
Information Collection Rule Data Evaluation and Analysis to Support Impacts on Disinfection By-Product Formation

Information Collection Rule (ICR) water quality and treatment data were screened from an end-user’s perspective and data distributions were developed based on the screened data set. Questionable data were flagged and missing categorical variables were replaced where possible. Sparseness of flagged data indicated a high level of ICR data quality while recovery of missing descriptors substantially amplified the data set. Data patterns demonstrated anticipated relationships between disinfection practices and water quality: plants with high concentrations of organic precursors preferentially employed chloramines and avoided prechlorination; plants with high bromide levels also tended to employ chloramines although bromide did not impact prechlorination practice. Though plants employing chloramination used significantly higher chlorine doses than plants using only free chlorine, when normalized to total organic carbon (TOC) this difference largely disappeared. The median ICR chlorine to TOC ratio was 1.54 mg C.
Effects of attentional breadth and task difficulty on tonic pupil size

Changes in pupil size may accompany changes in perceptual needs. The present experiment investigated whether baseline pupil size is influenced by the breadth of attention, operationalized as the distance (i.e. eccentricity) from central vision at which attention is sustained. We designed a version of the attentional-breadth task (Brocher, Harbecke, Graf, Memmert, & Huttermann, 2018) in which participants perform a visual memory task with stimuli appearing at different eccentricities. Crucially, we varied both target eccentricity and task effort independently. We expected tonic pupil size to linearly increase with the eccentricity at which participants sustain attention. This hypothesis was based on the idea that larger pupils may provide greater visual sensitivity, which would benefit the detection of stimuli appearing in peripheral vision. Furthermore, we expected tonic pupil size to increase as a function of the mental effort invested in the task, due to the hypothesized correlation between arousal and pupil size. Our results show that both target eccentricity and task difficulty had no effects on tonic pupil size, suggesting that these factors may have an effect only on the magnitude of transient pupil dynamics.
Chemical Kinetic Data Base for Propellant Combustion. II. Reactions Involving CN, NCO, and HNCO

This paper contains evaluated chemical kinetic data on single step elementary reactions involving small polyatomic molecules which are of importance in propellant combustion. The work consists of the collection and evaluation of mechanistic and rate information and the use of various methods for the extrapolation and estimation of rate data where information does not exist. The conditions covered range from 500‐2500 K and 1017‐1022 particles cm−3. The results of the second year’s effort add to the existing data base reactions involving CN, NCO, and HNCO with each other and the following species: H, H2, H2O, O, OH, HCHO, CHO, CO, NO, NO2, HNO, HNO2, HCN, and N2O.
Optimization of Operations in Supply Chain Systems Using Hybrid Systems Approach and Model Predictive Control

This paper addresses the optimal operation of multiproduct supply chain systems, using Model Predictive Control (MPC). The supply chain considered in this paper is a hybrid system governed by continuous/discrete dynamics and logic rules. For optimization purposes, it is modeled within the framework of the Mixed Logical Dynamical (MLD) system and the overall profit is optimized through MPC. Dynamic responses of the different nodes of the supply chain are analyzed when the supply chain is subjected to unknown but measurable changes in customer demand. The performances of a centralized decision-making scheme and two types of decentralized decision making schemes are compared.
A High Matrix Tolerance Cadmium Determination Method: An Analysis Method Combining Microextraction and Laser Ablation Inductively Coupled Plasma Mass Spectrometry

Herein, we proposed a high matrix tolerance analytical method, using a combination of ammonium pyrrolidine dithiocarbamate/methyl isobutyl ketone (APDC-MIBK) microextraction and laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS), for Cd concentration determination in aqueous samples. Only 200 μL of organic solvent was used throughout the entire analysis process, with enhancement factors as high as 25. Recoveries from replicate analyses of natural water [ NIST 1 640(a)] c ontaining m ean c oncentrations o f 3 . 1 μ g C d L –1 were 95 ± 3. The corresponding Cd detection limit was 0.6 μg L–1. The main advantage of this approach is its simplicity in terms of sample preparation, as demonstrated by quantifying the Cd levels in tap water, groundwater, and seawater, using a standard addition method.
Thin Films of (3-Aminopropyl)triethoxysilane on Aluminum Oxide and Gold Substrates

The formation of thin films and monolayers of (3-aminopropyl)triethoxysilane (APS) on aluminum and gold substrates was studied with reflection-absorption FTIR spectroscopy (RAIR), ellipsometry, contact-angle, and quartz-crystal microbalance (QCM) measurements. The structure of the APS films is strongly dependent on the experimental conditions, such as substrate pretreatment, mode of adsorption, and posttreatment. APS was adsorbed on the substrates from aqueous solution, from refluxing solvent, and from the gas phase. Adsorption from solution yields multilayers. APS films of about molecular thickness are obtained by vapor adsorption on the precleaned substrate. The presence of water has a strong effect on the film formation. Depending on the experimental conditions, the final surface loading varies between about 5.3 and 8 molecules per nm 2 , and the film thickness varies between 5 and 11 A.
Time‐resolved energy distribution of F− from pulsed radio frequency discharges

Negative ions extracted from a pulsed rf discharge can have a complex energy dependence as a function of time. This dependence could influence semiconductor processing in pulsed discharges, particularly if precise control of the ion energy is important. In this article, the time‐dependent ion energy distributions of F− from pulsed discharges through CF4 are presented for the first time using a mass spectrometer equipped with a Bessel Box energy analyzer. The time‐dependent changes in the ion energy distributions are produced by the manner in which the plasma disintegrates. Negative ions reaching the processing surface very early in the afterglow have lower energies because they experience less acceleration by the dc bias potential before entering the mass spectrometer. These ions appear in a very intense, short duration pulse, suggesting that they are formed in the after glow near the entrance to the mass spectrometer. Ions reaching the surface later in the afterglow have higher energies because they trav.
Use of structured light illumination and statistical optics for measurement of particle suspensions

Particles measurement systems based on the principles of statistical optics have the potential to be simple and robust as they possess a fundamental method of light intensity calibration and considerable information can in principle be extracted from a single detector. One practical limitation for the application of statistical optics to on- line and in-situ particle measurements is the low fluctuation power. It is shown how the fluctuations may be increased by the use of structured light and a practical demonstration is performed on a flowing suspension of latex particles.
Zinc speciation in a contaminated aquatic environment: Characterization of environmental particles by analytical electron microscopy

Analytical electron microscopy (AEM) was used to characterize individual aquatic particles in a lake that has been contaminated by zinc smelting operations. Samples were collected from the sediments and the water column of the lake along a gradient of metal contamination. The samples were prepared to preserve their aqueous nature, and thin sections were observed by transmission electron microscopy (TEM). Zinc bearing particles were characterized by different morphologies ranging from near spherical large colloids (i.e., a few 100 nm) to small grains either intimately associated with biological templates or present as separate amorphous entities. Elemental associations were determined for each individual particle by X-ray energy dispersive spectrometry (EDS). These analyses revealed the pervasive presence of Zn through the aquatic environment and its intimate combination with Fe and P in biotic structures. The association of Zn and P was most prevalent close to the source of contamination, whereas afar Zn .
Carbonic Acid Anesthesia for Aquatic Organisms

Abstract Carbonic acid in water is a safe, inexpensive, effective, convenient, and easily obtainable anesthetic for fish and other aquatic organisms. Carbonic acid is not a controlled substance in the United States, and may not require U.S. Food and Drug Administration registration. Baths containing 150 to 600 mg/L carbonic acid (H2CO3) will anesthetize fish; lower concentrations anesthetize more slowly and less deeply, higher concentrations act more rapidly and with greater sedation. The length of time that fish or aquatic organisms can safely be held in anesthetizing baths depends on the carbonic acid concentration, and is longer at low concentrations than at high concentrations. A convenient procedure for developing known concentrations of carbonic acid in anesthetizing baths involves adding equal volumes of 6.75% (wt/vol) sodium bicarbonate solution and 3.95% (wt/vol) of concentrated (97-98%) sulfuric acid solution to a known volume of water. The needed volume of the two solutions can be calculated by.
Spectroscopic (FTIR, FT-Raman, NMR and UV) and molecular structure investigations of 1,5-diphenylpenta-2,4-dien-1-one: a combined experimental and theoretical approach

The title molecule 1,5-diphenylpenta-2,4-dien-1-one (cinnamylideneacetophenone, CA) has been synthesised and characterised by FTIR, FT-Raman, NMR and UV–vis spectral analyses. The possible stable conformers of the CA molecule were searched by potential energy surface scan at B3LYP level of theory. The molecular geometry from X-ray determination of the CA molecule in the ground state has been compared using the density functional theory (DFT) with 6-31G(d,p) basis set. The harmonic vibrational modes, the corresponding wavenumbers and IR and Raman intensities of most stable conformer were calculated by the DFT method. The assignments of the fundamentals were proposed on the basis of total energy distribution calculations. The calculated 13C and 1H NMR chemical shifts using gauge including atomic orbitals approach are in good agreement with the observed chemical shifts. The molecular stability and bond strength have been investigated by applying natural bond orbital analysis. Using the time-dependent DFT method, the electronic absorption spectrum of the title compound has been predicted and the electronic transitions within the molecule have been interpreted. The molecular electrostatic potential map was used for predicting possible hydrogen and oxygen bonding sites in the CA molecule.
Co-sensitization of N719 with polyphenylenes from the Bergman cyclization of maleimide-based enediynes for dye-sensitized solar cells

The co-sensitization of N719 with conjugated polyphenylenes for dye-sensitized solar cells (DSSCs) was demonstrated. The conjugated polyphenylenes (6-BC and 7-BC), which contain two triphenylamine (TPA) groups as electron donors and carboxylic acids as adsorption groups, were prepared from thermally triggered Bergman cyclization polymerization of two maleimide-based enediynes, 6 and 7. Both the short-circuit photocurrent density (JSC) and the open-circuit voltage (VOC) of the co-sensitized DSSCs were enhanced due to the increase in light harvesting and the retardation of electron recombination and dye aggregation when N719 was co-sensitized with the conjugated polyphenylenes. The co-sensitized (7-BC + N719) DSSC showed a high efficiency of 9.68% (VOC of 750 mV, JSC of 18.18 mA cm−2 and FF of 0.71), exhibiting an improvement of 16% compared to the devices sensitized with N719 (PCE of 8.34%) alone under identical conditions.
Controlled Opening of Single-Wall Carbon Nanohorns by Heat Treatment in Carbon Dioxide

The opening of bud-type single-wall carbon nanohorns (SWNHs) by heat treatment in CO2 was studied by TEM and nitrogen adsorption (77 K). The adsorption isotherms indicate that oxidation by CO2 at 1273 K provides a sufficient nanohorn opening. The pore structure parameters of the open nanohorns can be controlled by varying the treatment conditions; the size of the generated nanopores increases with the temperature and time of treatment. In addition, TPD experiments indicate a significant decrease of the oxygen content in SWNHs opened by heat treatment in CO2. This is in contrast to the procedures reported in the literature for opening of carbon nanotubular structures, typically introducing oxygen functional groups.
Chemical Equilibrium and Reaction Kinetics of the Heterogeneously Catalyzed Formation of Poly(oxymethylene) Dimethyl Ethers from Methylal and Trioxane

Poly(oxymethylene) dimethyl ethers (OMEs) are attractive components for tailoring diesel fuels. They belong to the group of oxygenates that reduce soot formation in the combustion when added to diesel fuels and can be produced on a large scale based on gas-to-liquid technology. This work deals with a particularly favorable route for their large scale production in which they are formed from methylal and trioxane. Reaction kinetics and chemical equilibrium of the OME formation via this route were studied in a batch reactor using the ion-exchange resin Amberlyst 46 as heterogeneous catalyst at temperatures between 323 and 363 K and for a wide range of feed compositions. An adsorption-based kinetic model is presented that represents both reaction kinetics and equilibrium well.
Atomistic insight into micro-phase separation and gas diffusion in PEO–PBT multiblock copolymers

Atomistic simulation is reported for micro-phase separation and H2 diffusion in poly(ethylene oxide) (PEO)–poly(butylene terephthalate) (PBT) multiblock copolymers with varying PEO segment length. The simulated densities of copolymers agree well with available experimental data with only 1–2% deviations. A strong interaction exists between PEO segments as evidenced by the sharp peaks in radial distribution functions. With increasing PEO segment length, the fractional free volume marginally increases, PEO and PBT segments tend to be more immiscible and segregated domain size increases. This is consistent with experimental and theoretical studies in the literature. The mobility of PBT segments is almost one order of magnitude smaller than that of PEO segments. With increasing PEO segment length, the mobility of PEO–PBT copolymers is enhanced. For H2 diffusion in PEO–PBT copolymers, the diffusivity increases with increasing PEO segment length, as experimentally observed. This simulation study provides atomistic insight into the micro-structure and gas transport properties in PEO–PBT copolymers.
Selective desorption characteristics of halloysite nanotubes for anionic azo dyes

Halloysite nanotubes show selective desorption characteristics for anionic azo dyes. The dye desorption behaviors from halloysite using deionized water, strong acid and strong base were studied. Methyl orange was easily and completely eluted by deionized water, whereas Congo red is hardly desorbed even by strong acid or base.
MOCVD-grown wider-bandgap capping layers in long-wavelength infrared photoconductors

The use of MOCVD-grown wider-bandgap as a capping layer for long-wavelength infrared (LWIR) photoconductors has been studied using both theoretical and experimental results. A device model is derived which shows that in the presence of a suitable energy barrier between the infrared absorbing layer and the overlaying passivation layer, the high surface recombination rate which is usually present at the semiconductor/passivant interface is prevented from having a significant effect on device performance. The energy barrier, which repels photogenerated minority carriers from the semiconductor surface, is introduced by employing an n-type wafer which consists of a wider-bandgap capping layer that is grown in situ by MOCVD on an LWIR absorbing layer. The derived model allows the responsivity to be calculated by taking into account surface recombination at both the front and back interfaces, thickness of capping and absorbing layers, recombination at the heterointerface, and variations in equilibrium electron concentration. Calculations show that for an absorbing layer, the optimum capping layer consists of and a thickness of the order of 0.1 to 0.2 . Experimental results are presented for x = 0.22 n-type conventional single-layer LWIR photoconductors, and for heterostructure photoconductors consisting of an LWIR absorbing layer of x = 0.22 capped by an n-type layer of x = 0.31. The model is used to extract the recombination velocities at the heterointerface and the semiconductor/substrate interface, which are determined to be and respectively. The experimental data clearly indicate that the use of a heterostructure barrier between the overlaying passivation layer and the underlying LWIR absorbing layer produces detectors that exhibit much higher performance and are insensitive to the condition of the semiconductor/passivant interface.
Methane production and its fate in paddy fields IV. sources of microorganisms and substrates responsible for anaerobic methane oxidation in subsoil

Abstract A percolation experiment was conducted using soil columns to analyze the sources of microorganisms and organic materials responsible for anaerobic CR4 oxidation in the subsoil of rice paddies. A glass column packed with plow layer soil and rice straw was connected to a column with sterilized or heated (550°C, 12 h) subsoil. Leachate was periodically collected from the bottom of the subsoil and analyzed for the contents of CR4, ferrous iron, and carbon in the water soluble organic materials (TOC). Methane concentration in the leachate decreased by percolation into the subsoil. Sterilization and removal of organic materials from the subsoil did not affected appreciably the CH4 content in the leachate from the subsoil column. Sterilization of the subsoil enhanced the leaching of TOC and ferrous iron from the subsoil and production of ferrous iron in the subsoil. Removal of organic materials from the subsoil decreased ferrous iron production in the subsoil. These observations suggested that CR4 was o.
Investigation of ionically crosslinked chitosan and chitosan–bovine serum albumin beads for novel gastrointestinal functionality

The objective of the work was to determine whether chitosan–tripolyphosphate (TPP) systems can be used to develop safe gel particles for in vivo applications. In particular, we are interested in the use of chitosan systems capable of swelling at low pH in vitro as potentially swellable, satiety-enhancing ingredients. The formation of homogeneous chitosan-TPP gel beads was improved by reducing the pH of the TPP gelling bath from 8.5 to 4.0 thus increasing the cationic nature of chitosan and the crosslink density. However, the mechanical strength of this system was reduced compared to the basic system. This has been related to tightening of the gel network by increased shrinking of this system. Although release studies have shown that decreasing the pore size of the gel, by increasing the crosslink density through increasing the TPP concentration, is a good way to trap our model release polymer (dextran), in simulated gastrointestinal conditions, these ionic gel beads showed marked shrinking. We propose that this is due to screening of the charge on the chitosan molecule in the presence of salt and/or an excess of TPP which encourages ionic interactions. We conclude that these ionic gels are an unfeasible alternative satiety-enhancing ingredient to covalently crosslinked systems. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008
Prognostic significance of serum C-reactive protein in diffuse large B-cell lymphoma

Objective To investigate the prognostic significance of serum C-reactive protein (CRP) in diffuse large B-cell lymphoma (DLBCL). Methods 106 cases of newly diagnosed DLBCL patients with average age of 55.23 years old were analyzed retrospectively. Determine the level of serum CRP and other factors, including tumour stage, revised Internation Prognostic Index (R-IPI) before the treatment. After median follow-up of 62 months, the relationships between serum CRP and overall survival (OS) and event-free survival (EFS) were observed. Results 106 DLBCL patients were divided into 4 Ann Arbor stages. Median serum CRP levels significantly increased in higher Ann Arbor stages [stage Ⅰ (9.49±2.73) mg/L, stage Ⅱ (14.96±2.60) mg/L, stage Ⅲ (22.03±3.39) mg/L, stage Ⅳ (28.96±4.56) mg/L] (all P 0.05), sex (r= 0.085, P > 0.05). The patients with serum CRP levels >19.0 mg/L had shorter 5-year ESF and OS than patients with serum CRP levels ≤19.0 mg/L(P < 0.05). Univariate and multivariate Cox regression models showed that old age, high R-IPI score and high CRP level were independent adverse prognostic factors. Conclusion In DLBCL patients,high CRP level not only reflects tumor burded, but also delivers prognostic information. Key words: Lymphoma, large B-cell, diffuse; Serum C-reactive protein; Prognosis
Determination of rare earth elements by liquid chromatographic separation using inductively coupled plasma mass spectrometric detection

High-performance liquid chromatography (HPLC) is used to separate the rare earth elements (REEs) prior to detection by inductively coupled plasma mass spectrometry (ICP-MS). The use of HPLC–ICP-MS in series combines the separation power and speed of HPLC with the sensitivity, isotopic selectivity and speed of ICP-MS. The detection limits for the REEs are in the sub-ng ml–1 range and the response is linear over four orders of magnitude. A preliminary comparison of isotope dilution and external standard results for the determination of REEs in National Institute of Standards and Technology (NIST) Standard Reference Material (SRM 1633a) Fly Ash is presented.
A PULSE RADIOLYSIS STUDY OF THE QUENCHING OF AROMATIC CARBONYL TRIPLETS BY NORBORNADIENES AND QUADRICYCLENES. THE MECHANISM OF INTERCONVERSION

The technique of electron pulse radiolysis has been used to produce aromatic carbonyl triplet states in liquid benzene. Kinetic absorption spectrometry has allowed the determination of the rate constants for quenching of these states by norbornadiene (1), quadricyclene (2), and their ethoxycarbonyl analogues (3 and 4). Analysis of the rate constant data together with quantum yield measurements shows that norbornadienes quench high energy triplets such as that of acetophenone via an energy transfer mechanism and the free triplets of the diene thus produced decay mainly to the corresponding quadricyclene (2, approximately 96%, and 4, approximately 93%). With lower energy triplets the rate constant for quenching decreases as does the proportion of free triplets produced. The balance between energy transfer and decay to ground states then depends on the triplet energy and electron accepting properties of the triplet state involved. Quenching by quadricyclene involves charge transfer stabilization of the encounter complex and subsequent decay to ground states. Although attempted correlation with the function (/sup 3/.delta.E/sub 0/,/sub 0/ + E(A/sup -//A)) is inconclusive, there is a strong correlation with the quenching of the same triplet states by triethylamine.