20 research outputs found
Densities, Viscosities, Refractive Indices, and Surface Tensions of Binary Mixtures of 2,2,4-Trimethylpentane with Several Alkylated Cyclohexanes from (293.15 to 343.15) K
Densities and viscosities have been
measured over the whole composition
ranges for the binary mixtures of 2,2,4-trimethylpentane with methylcyclohexane,
ethylcyclohexane, or <i>n</i>-butylcyclohexane at temperatures <i>T</i> = (293.15 to 343.15) K and atmospheric pressure. Meanwhile,
the refractive indices and surface tensions were measured at <i>T</i> = (293.15 to 323.15) K and <i>T</i> = (293.15
to 308.15) K, respectively. The excess molar volumes, <i>V</i><sub>m</sub><sup>E</sup>, the viscosity deviations, Δη,
and the surface tension deviations, Δγ, for these binary
systems are calculated and fitted to the Redlich–Kister equation,
and the regression coefficients and the standard deviations of the
fittings are given. All of the <i>V</i><sub>m</sub><sup>E</sup>, Δη and Δγ values are negative over
the whole composition range for these systems. The values of Δ<i>n</i><sub><i>D</i></sub> for these binary mixtures
are all small, even negligible. These results may be useful for the
development of the hydrocarbon fuels
A hybrid fluid master–apprentice evolutionary algorithm for large-scale multiplicity flexible job-shop scheduling with sequence-dependent set-up time
In this article, a large-scale multiplicity flexible job-shop scheduling problem (FJSP) with sequence-dependent set-up time is studied. In this problem, the large production demand for each type of job yields the large-scale multiplicity manufacturing feature. To address the problem, a hybrid fluid master–apprentice evolutionary algorithm (HFMAE) is presented to minimize the makespan. In the first step, a fluid relaxation initialization method (FRI) and an initialize procedure are proposed to obtain high-quality initial solutions. In the FRI, an online fluid tracking policy is presented to improve the assignment decision and the sequencing decision of operations. In the second step, an improved master–apprentice evolutionary method (IMAE) is presented based on the generated initial solutions. In the IMAE, two neighbourhood structures and three makespan estimation approaches are presented to accelerate the solution space search efficiency. Numerical results show that the proposed HFMAE outperforms the comparison algorithms in solving large-scale multiplicity FJSPs.</p
Additional file 1 of The protective role of mindful parenting against child maltreatment and aggressive behavior: an exploratory study among Chinese parent-adolescent dyads
Additional file 1: Table S1. Comparisons between adolescents included in the study and those excluded. Table S2. Comparisons between the mothers/fathers included in the study and those excluded. Table S3. The paths from mindful parenting and its different factors to adolescent aggressive behavior through child maltreatment among female adolescents and male adolescents, respectively
Thermal Stability and Decomposition Kinetics of 1,3-Dimethyladamantane
For
a comprehensive understanding of the properties of 1,3-dimethyladamantane
(1,3-DMA) as a candidate of high energy-density hydrocarbon fuels,
thermal stability of 1,3-DMA under different conditions is investigated.
The thermal decomposition kinetics in the batch reactor between 693
and 743 K has been determined, with the rate constants ranging from
4.00 × 10<sup>–7</sup> s<sup>–1</sup> at 693 K
to 35.19 × 10<sup>–7</sup> s<sup>–1</sup> at 743
K, along with the Arrhenius parameters of <i>A</i> = 2.39
× 10<sup>7</sup> s<sup>–1</sup> and activation energy <i>E</i><sub>a</sub> = 183 kJ·mol<sup>–1</sup>. The
rate constants for the thermal decomposition of 1,3-DMA are observed
to be smaller than those of some typical model fuels, decalin, propylcyclohexane,
butylcylohexane, and <i>n</i>-dodecane, demonstrating that
the thermal stability of 1,3-DMA is satisfactory. The thermal decomposition
of 1,3-DMA in the flowing reactor at temperatures from 873 to 973
K and pressures from 0.1 to 5.0 MPa is further performed. It can be
observed that the conversion of 1,3-DMA and the yield of gaseous products
increase clearly with the rise of temperature or pressure. The residence
time is the main factor for the change of decomposition depth. Methane
and hydrogen are the major gaseous products that are produced through
demethylation and dehydrogenation. In the liquid residues, toluene
and xylene are observed and quantified by GC-MS, HPLC, and NMR as
the main aromatics produced. On the basis of component analysis, a
hypothetical mechanism of thermal decomposition of 1,3-DMA is proposed
to explain the product distribution. It is shown that the different
products are mainly obtained through a combination of isomerization,
hydrogen transfer, β-scission, and dehydrogenation. The results
are expected to provide experimental information for the search of
new high energy-density hydrocarbon fuels
Thermal Decomposition Kinetics and Mechanism of 1,1′-Bicyclohexyl
Thermal
decomposition of 1,1′-bicyclohexyl, a potential
surrogate component of high-density hydrocarbon fuels, was performed
in a batch-type reactor to investigate its thermal stability. A first-order
kinetic equation is supposed to correlate the decomposition process,
and the apparent rate constants, ranging from 0.0223 h<sup>–1</sup> at 683 K to 0.1979 h<sup>–1</sup> at 713 K, are determined.
The Arrhenius parameters are determined with the pre-exponential factor <i>A</i> = 6.22 × 10<sup>20</sup> h<sup>–1</sup> and
the activation energy <i>E</i><sub>a</sub> = 293 kJ·mol<sup>–1</sup>. Compared with four typical hydrocarbon compounds,
the thermal stability trend is observed in the order of <i>n</i>-dodecane ≈ 1,3,5-triisopropylcyclohexane > bicyclohexyl
> <i>n</i>-propylcyclohexane > decalin. Cyclohexane
and cyclohexene
are found to be the primary products due to the relatively low energy
of the C–C bond connecting the two cyclohexyl rings. Bicyclohexyl
decomposes into cyclohexane and cyclohexene equivalently at the beginning
of the reaction. A probable mechanism on the basis of quantum calculation
and GC-MS analyses for the decomposition of bicyclohexyl is proposed
to explain the product distribution. It is shown that the formation
of decomposition products is mainly obtained through hydrogen transfer, β-scission,
isomerization, or dehydrogenation
Piperazinium-Based Ionic Liquids with Lactate Anion for Extractive Desulfurization of Fuels
Three kinds of piperazinium-based
room-temperature ionic liquids
(RTILs), namely, <i>N</i>-methylpiperazinium lactate ([C<sub>1</sub>pi]Â[Lac]), <i>N</i>-ethylpiperazinium lactate ([C<sub>2</sub>pi]Â[Lac]), and <i>N</i>,<i>N</i>′-dimethylpiperazinium
dilactate ([C<sub>1</sub>C<sub>1</sub>pi]Â[Lac]<sub>2</sub>), have
been synthesized by the direct reaction of <i>N</i>-alkyl-substituted
piperazines and lactate acid. Together with 1,1,3,3-tetramethylguanidinium
lactate ([TMG]Â[Lac]), they are employed as new extractants for removing
aromatic sulfur compounds, thiophene (TS), benzothiophene (BT), dibenzothiophene
(DBT), and 4-methyldibenzothiophene (4-MDBT), from various hydrocarbon
fuels. The effects of the temperature, extraction time, and amount
of ionic liquid (IL) on the sulfur removal are investigated systematically.
The mutual solubility measurements show that the ILs are dissolved
in <i>n</i>-heptane with the mass fraction less than 0.01
at 30 °C. The solubility values of 93 gasoline in the ILs are
observed with the following sequence: [C<sub>1</sub>C<sub>1</sub>pi]Â[Lac]<sub>2</sub> (0.007 in mass fraction) < [C<sub>1</sub>pi]Â[Lac] (0.014
in mass fraction) < [TMG]Â[Lac] (0.017 in mass fraction) < [C<sub>2</sub>pi]Â[Lac] (0.070 in mass fraction), and the sulfur distribution
coefficient follows the order: [TMG]Â[Lac] (1.08 in mass fraction)
> [C<sub>2</sub>pi]Â[Lac] (0.98 in mass fraction) > [C<sub>1</sub>pi]Â[Lac]
(0.78 in mass fraction) > [C<sub>1</sub>C<sub>1</sub>pi]Â[Lac]<sub>2</sub> (0.53 in mass fraction) for 93 gasoline. Selectivity between
TS and toluene is observed higher than 4 with the following sequence:
[TMG]Â[Lac] (13.19 in mass fraction) > [C<sub>1</sub>pi]Â[Lac] (10.59
in mass fraction) > [C<sub>2</sub>pi]Â[Lac] (7.12 in mass fraction)
> [C<sub>1</sub>C<sub>1</sub>pi]Â[Lac]<sub>2</sub> (4.94 in mass
fraction),
revealing that these ILs are more preferable to extract TS than toluene
from hydrocarbon fuels. The used ILs can be recycled without a significant
decrease of desulfurization activity after extraction 5 times. These
fundamental results hopefully provide useful information for future
commercialization and practical desulfurization
Ortho C–H Bond Activations in an Atmospheric Microwave Plasma Ion Source
C–H bond ortho-substitution reaction has always
been a significant
and challenging topic in organic chemistry. We proposed a synthesis
method based on microwave plasma torches. High-resolution mass spectrometry
was used to monitor rapid reaction products. 2-Alkylbenzimidazole
can be formed through the reaction of phenylnitrenium ion and nitriles
on a millisecond scale. This reaction can achieve the one-step formation
of benzimidazoles from benzene ring single-substituted compounds without
the addition of external oxidants or catalysts. A similar C–H
bond activation reaction can be accomplished with ketones. Meanwhile,
the microwave plasma reactor was modified, and the resulting 2-methylbenzimidazole
was successfully collected, indicating the device has good application
potential in organic reactions such as C–H bond activation
reaction
The Modulation of Phosphatase Expression Impacts the Proliferation Efficiency of HSV-1 in Infected Astrocytes
<div><p>Herpes Simplex Virus 1 (HSV-1) is a major pathogen that causes human neurological diseases, including herpes simplex encephalitis (HSE). Previous studies have shown that astrocytes are involved in HSV-1 systemic pathogenesis in the central nervous system (CNS), although the mechanism remains unclear. In this study, a high-throughput RNAi library screening method was used to analyze the effect of host phosphatase gene regulation on HSV-1 replication using <i>Macaca mulatta</i> primary astrocytes in an <i>in vitro</i> culture system. The results showed that the downregulation of five phosphatase genes (PNKP, SNAP23, PTPRU, LOC714621 and PPM1M) significantly inhibited HSV-1 infection, suggesting that these phosphatases were needed in HSV-1 replication in rhesus astrocytes. Although statistically significant, the effect of downregulation of these phosphatases on HSV-1 replication in a human astrocytoma cell line appears to be more limited. Our results suggest that the phosphatase genes in astrocytes may regulate the immunological and pathological reactions caused by HSV-1 CNS infection through the regulation of HSV-1 replication or of multiple signal transduction pathways.</p></div
Significant Enhancement of Optoelectronic Properties in CuInP<sub>2</sub>S<sub>6</sub> via Pressure-Induced Structural Phase Transition
Quaternary layered transition metal thiophosphate CuInP2S6 (CIPS) has attracted extensive research interest
because
of its outstanding optical and ferroelectric properties. Pressure-tuned
phase transition is an efficient method to regulate the properties
of functional materials in situ, yet there is still much to explore.
Herein, we studied the pressure-regulated optoelectronic properties
of CIPS and found a four-stage evolution of photoresponsivity under
compression. The photoresponse of CIPS barely changes with pressure
initially but increases dramatically above 4.2 GPa. Under further
compression, the photoresponse first shows a decrease above 7.5 GPa
and then a significant increase up to 23.5 GPa. Remarkably, the photoresponse
at the highest pressure enhances by two orders of magnitude compared
with the starting value. To investigate the origin of these abnormal
variations in CIPS, high-pressure UV–vis absorption, Raman,
and XRD measurements were conducted and a phase transition from Cc
to P3Ì…1m symmetry was found at approximately 4.0 GPa. We suggest
that the pressure-modulated optoelectronic properties in CIPS are
closely related to the conductivity change of CIPS caused by its structural
phase transition. Our study spotlights the outstanding pressure regulation
of optoelectronic properties in CIPS, which paves the way for modifying
the behavior of other optoelectronic materials
siRNA transfection effectively downregulated corresponding phosphatase RNA expression in astrocytes.
<p>(a) Determination of the silencing effect of six genes: APP6, ALPL, DUSP11, PPP1CC, PTPN11 and PNKP. The siRNAs of the six genes (ACP6, ALPL, DUSP11, PPP1CC, PTPN11 and PNKP), were used to transfect astrocytes (50 nM). Total RNA was extracted at 48 h post transfection; a relative quantification method was used to calculate the target gene transcription. Data were analyzed using 2<sup>−ΔΔCt</sup>. β-actin was used as the internal control. Error bars represent the standard deviation from triplicate samples. * indicates P<0.05. (b,c) Relationship between transfection time and the silencing effect of the ALPL and PNKP genes. The siRNAs of the ALPL and PNKP genes were used to transfect astrocytes (50 nM), and the total RNA was extracted at 24, 48 and 72 hr post transfection; a relative quantification method was used to calculate the target gene transcription. Data were analyzed using 2<sup>−ΔΔCt</sup>. β-actin was used as the internal control. Error bars represent the standard deviation from triplicate samples. * indicates P<0.05.</p