Miracle-dz/UniFAR-FTUs huggingface dataset:
Efficient Promotion of Anatase TiO2 Photocatalysis via Bifunctional Surface-Terminating Ti−O−B−N Structures

The surface structures of doped semiconductor photocatalysts play a vital role in determining visible light absorbance, transfer and redox potentials of charge carriers, as well as the inhibition of recombination. We examine the photocatalysis of anatase TiO2 with surface terminating Ti-O-B-N structures from both experimental and computational perspectives. This codoped titania system shows much better photocatalytic
A computational investigation of cation ordering phenomena in the binary spinel system MgAl2O4 -FeAl2O4

Abstract The systematics of cation ordering in binary spinel solid solutions have been investigated using an interatomic potential model combined with Monte Carlo simulations. The formalism to describe a system containing three cation species ordering over two non-equivalent sub-lattices is developed and the method applied to the MgAl2O4-FeAl2O4 binary solid solution. Our results compare favourably with experimental measurements of site-occupancy data, although the experiments display a slightly larger degree of non-ideality than the simulations. A possible kinetic origin of the non-ideal behaviour was examined by performing simulations in which only exchange of Mg and Fe2+ between tetrahedral and octahedral sites was permitted below the Al-blocking temperature of 1160 K. This approach improves the agreement with the experimental site occupancies, and suggests that the blocking temperature for moving Mg and Fe2+ between tetrahedral and octahedral sites is significantly lower than for moving Al.
High-Pressure Phase Behavior of Ionic Liquid/CO2 Systems

This work presents the high-pressure phase behavior of CO2 with six ionic liquids: 1-n-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]), 1-n-octyl-3-methylimidazolium hexafluorophosphate ([C8-mim][PF6]), 1-n-octyl-3-methylimidazolium tetrafluoroborate ([C8-mim][BF4]), 1-n-butyl-3-methylimidazolium nitrate ([bmim][NO3]), 1-ethyl-3-methylimidazolium ethyl sulfate ([emim][EtSO4]), and N-butylpyridinium tetrafluoroborate ([N-bupy][BF4]). We explored the effect of systematically changing the anionic and cationic components of the ionic liquid on the CO2−ionic liquid phase behavior. For all of the ionic liquids tested, large quantities of CO2 dissolved in the ionic liquid phase, but no appreciable amount of ionic liquid solubilized in the CO2 phase. In addition, the liquid phase volume expansion with the introduction of even large amounts of CO2 is negligible, in dramatic contrast to the large volume expansion observed for neutral organic liquids. Our results seek to elucidate the underlying physica.
The Pyrolysis of Cellulose at Rates Approaching Those in Burning

The thermal decomposition of cellulose was studied by a new thermal method suited to the measurement of faster reaction rates and to the problem of detecting concurrent reactions. The pyrolysis data for four types of relatively pure cellulose indicated successive supramolecular and molecular decom position steps, either of which may control the decomposition rate contingent upon the temperature history. The molecular decomposition step is interpreted as a first-order depolymerlzation reaction with an activation energy of 401/2 kcal/gmol. The data for cellulose treated with retardant (1.5 wt% KHCO2) indicated two principal decomposition reactions. An initial lower-temperature reaction evolved principally H2O and CO2 from well-dried samples. The following main decomposition reaction exhibited the same kinetic parameters as the counterpart depotymerization step of the untreated cellulose, but evolved different vapor products. Tests and analyses of these celluloses at transitional stages of decomposition are summarized. The implications of the data concerning the mechanism by which the retardant functions are discussed.
Measurement of Both Nonvolatile and Semi-Volatile Fractions of Fine Particulate Matter in Fresno, CA

An intensive sampling campaign was performed in Fresno, CA during December 2003 measuring fine particulate matter including both the semi-volatile and nonvolatile fractions of the aerosol. Both the newly developed R&P FDMS Monitor and a PC-BOSS have been shown to measure total PM 2.5 concentrations including semi-volatile nitrate and organic material. Good agreement was observed between the PC-BOSS and the R&P FDMS Monitor in this study with linear regression analysis resulting in a zero-intercept slope of 1.00 ± 0.02 and an R 2 = 0.93. Several real-time measuring systems including the R&P Differential TEOM, the Met One BAMS, and a GRIMM Monitor were also employed and comparisons of total PM 2.5 mass were made with the R&P FDMS Monitor. Agreement among these various monitors was generally good. However, differences were sometimes seen. Reasons for observed differences in the real-time mass measurement systems are explained by the composition and complexity of the measured aerosol, most importantly the composition of semi-volatile material. A newly automated ion chromatographic system developed by Dionex was also field tested and compared to both R&P 8400N Nitrate and integrated PC-BOSS inorganic species measurements. Sulfate and nitrate determined by the Dionex and PC-BOSS systems agreed. However, nitrate measured by the 8400N was low during fog events compared to the other two systems.
Insun Sangadji Nutritional Quality and Fiber Fraction of Complete Feed Silage

This experiment aimed to know the nutrition quality and fiber fraction of complete feed silage based on sago by-products, Imperata cylindrica, and Leucaena leucocephala in different compositions which fermented for three weeks. The study was conducted at the Laboratory of Feed Engineering and Technology, Faculty of Agriculture, University of Pattimura which lasted for three week. The main ingredients used to make silage complete ration in this study consisted of sago pulp, Imperata cylindrica , Leucaena leucocephala, concentrate and plus coconut water. Complete ration silage was fermented using coconut water plus which is a mixture of urea 95% and coconut water 5%. This research conducted by using randomized complete design with five factors of silage compound those are P0 = 60% forages + 40% concentrate (for control) ; P1 = 10% sago by-products + 40% Imperata cylindrica + 10% Leucaena leucocephala + 40% concentrate ; P2 = 20% sago by-products + 30% Imperata cylindrica + 20% Leucaena leucocephala + 30% concentrate ; P3 = 30% sago byproducts + 20% Imperata cylindrica + 30% Leucaena leucocephala + 20% concentrate ; dan P4 = 40% sago by-products + 10% Imperata cylindrica + 40% Leucaena leucocephala + 10% concentrate. Each treatment used four replicates. The variable observed were the percentage of water content, ash, crude protein, crude fat, crude fiber, NDF, ADF, and lignin. The results showed that sago by-products, Imperata cylindrica and Leucaena leucocephala can be used for basic materials of complete feed silage in ruminants feed because they have no difference quality of nutrition and fiber fraction compared with control P0.
Recent advances in the synthesis and applications of graphene–polymer nanocomposites

Graphene (G)-based nanocomposites have received much attention in various disciplines due to their high specific surface area, good compatibility, low mass density, elegant flexibility as well as the excellent synergistic effect of G with other nanomaterials. Numerous studies have been carried out to fabricate G-based polymer composites with novel and improved properties. However, the dispersion behavior of G in a polymer matrix and the interfacial bonding between G and polymers still restrict the better performances and broader applications of the fabricated G–polymer nanocomposites. In this review, we have summarized the most recent studies on the modification of G with polymers and the subsequent synthesis and applications of high quality G–polymer nanocomposites. The strategies for surface modification of G with polymers, including various covalent and non-covalent techniques, are introduced in detail. In addition, a series of effective processing routes for producing high quality G–polymer nanocomposites, such as melt compounding, solution blending, in situ polymerization, latex mixing, and electropolymerization, are introduced and discussed. Finally, the potential applications of the synthesized G–polymer nanocomposites in electrocatalysts, drug delivery, high performance materials, biosensors, and biomedical materials are presented.
Optical Urea Biosensor Based On Ammonium Ion Selective Membrane

ABSTRACT An optical urea biosensor was developed by immobilizing an urease enzyme layer on a thin ammonium-selective polymer membrane. The ammonium optical membrane utilized dichlorofluorescein octadecyl ester (DCFOE) as anionic chromophore and nonactin as neutral ionophore. The urease layer was coated on the top of the ammonium layer by gelatin entrapment combined with glutaradehyde cross-linking. Hydrolysis of urea catalyzed by urease produced ammonium ion, which was extracted into the-polymer film to form complexes with nonactin. A proton was released which resulted in a color change of the optical membrane due to charge neutrality principle. The biosensor
Molecular paleobotany of Nyssa endocarps

SUMMARY Fruit endocarps of three recent Nyssa species from southern Georgia and endocarps of three Nyssa species from the late-Oligocene Brandon lignite, VT. are characterized and compared using pyrolysis gas chromatography–mass spectrometry (PYGCMS), pyrolysis-mass spectrometry (PYMS and desorption chemical ionization mass spectrometry DCIMS), and microscopic techniques. PYGCMS and PYMS demonstrated that during the lignitization process almost all of the carbohydrate material is removed from the endocarp fibre walls. Some hexose oligomer residues do survive lignitization as levoglucosan was observed in the PYGCMS trace of the lignitic endocarp N. fissilis and mass peaks indicative for anhydrohexose oligomers were observed in DCIMS spectra of N. fissilis and N. brandoniana. The PYGCMS data on the mixed guaiacyl–syringyl lignin in the recent and fossil endocarp wall have very similar pyrolysis product distributions. The abundance of phenolic pyrolysis products with aliphatic side chains suggest a different less oxygenated lignin in the endocarps compared to the Nyssa xylem cell walls. In spite of the significant chemical changes which occur during the early coalification process considerable microscopic detail can be preserved. Some fibre cell walls even retained an anisotropic character which may be caused by preserved crystalline cellulose. The effect of storage conditions on the chemistry of the paleobotanical samples was investigated by PYMS and multivariate analysis. Fossil endocarps stored in glycerin/ethanol experienced some extraction of a soluble lignin-derived fraction whereas water-stored endocarps did not. The residues of water glycerol/ethanol stored samples have similar polyphenolic polymers.
Emission fluxes and atmospheric degradation of monoterpenes above a boreal forest: field measurements and modelling

The contribution of monoterpenes to aerosol formation processes within and above forests is not well understood. This is also true for the particle formation events observed during the BIOFOR campaigns in Hyytiälä, Finland. Therefore, the diurnal variation of the concentrations of several biogenic volatile organic compounds (BVOCs) and selected oxidation products in the gas and particle phase were measured on selected days during the campaigns in Hyytiälä, Finland. α-pinene and Δ3-carene were found to represent the most important monoterpenes above the boreal forest. A clear vertical gradient of their concentrations was observed together with a change of the relative monoterpene composition with height. Based on concentration profile measurements of monoterpenes, their fluxes above the forest canopy were calculated using the gradient approach. Most of the time, the BVOC fluxes show a clear diurnal variation with a maximum around noon. The highest fluxes were observed for α-pinene with values up to 20 ng m−2 s−1 in summer time and almost 100 ng m−2 s−1 during the spring campaign. Furthermore, the main oxidation products from α-pinene, pinonaldehyde, and from β-pinene, nopinone, were detected in the atmosphere above the forest. In addition to these more volatile oxidation products, pinic and pinonic acid were identified in the particle phase in a concentration range between 1 and 4 ng m−3. Beside these direct measurement of known oxidation products, the chemical sink term in the flux calculations was used to estimate the amount of product formation of the major terpenes (α-pinene, β-pinene, Δ3-carene). A production rate of very low volatile oxidation products (e.g., multifunctional carboxylic) from ·OH- and O3-reaction of monoterpenes of about 1.3·104 molecules cm−3 s−1 was estimated for daylight conditions during summer time. Additionally, model calculations with the one-dimensional multilayer model CACHE were carried out to investigate the diurnal course of BVOC fluxes and chemical degradation of terpenes.
Lead Removal from Soils via Bench-Scale Soil Washing Techniques

The retention and release of lead from eight different soils collected from the eastern United States were investigated. After characterization using well-established test procedures, the study soils were artificially contaminated with lead. Upon contamination, the lead-retention capacity of the study soils was statistically correlated with their physical and chemical properties. Lead capacity of the eight study soils was best correlated with the parameters of soil pH and the organic soil fraction. The efficiencies of six washing solutions in removing lead from the contaminated soils were then investigated via batch washing experiments. Unlike conventional field-scale washing, all particle size fractions were washed and recovered in these bench-scale experiments. HCl and EDTA obtained the best Pb-removal efficiencies. Removals tended to be independent of soil type and washing solution concentration. In addition to the physical/chemical properties of the washing solutions and of the study soils, the effects of the initial lead contamination level and washing solution concentration upon lead removals were examined. Lead-retention and release kinetic studies were performed to confirm equilibration between the aqueous and solid phases. Kinetics of both lead retention and release were very rapid for most study soils.
Cluster-Based Joint Cell Association and Interference Coordination Control in Heterogeneous Networks

In this paper, a joint control method for the user association and almost blank sub-frame (ABSF) based interference coordination (IC) technique in heterogeneous cellular networks is proposed. The optimization objective is simultaneously improving system throughput and guaranteeing proportionally fairness. Usually, user and base station (UE-BS) association is performed before ABSF rate determination, which is suboptimal with respect to UE- BS association. We formulate the joint optimization of UE-BS association and ABSF rate as a combinatorial optimization problem. To deal with it, we proposed an iterative method to discover the ABSF rate, the optimal association and the optimal resource blocks(RBs) allocation that can maximum long-term average throughput. Besides, as we cannot know the interference before user-association and resource allocation, we proposed a graph-based BS clustering method to estimate the interference before user-association and resource allocation. Simulation results show the efficiency of our proposed scheme.
The role of He in enhancing the intensity and lifetime of H and D emissions from laser-induced atmospheric-pressure plasma

A series of measurements have been performed on the time dependences of the intensities of helium, hydrogen, and deuterium emission lines from the corresponding laser-induced helium plasma at atmospheric pressure for two different He flow rates. The prolonged Hα and Hβ emissions along with their constant intensity ratio over a relatively extended period indicate the need to provide an alternative excitation mechanism other than the well-known thermal excitation process in a hot plasma. This additional excitation mechanism is also related to the metastable excited state of a He atom as indicated by the similar characteristics of the observed time dependence of the emission intensities. The enhanced intensity and lifetime of He emission at a high He flow rate was explained in terms of the collision-induced increase in the number of He atoms excited to above the 2 S10 metastable state, which was also responsible for the delayed excitation of H and D atoms via an energy transfer mechanism involving a Penning-.
Link between depressions of melting temperature and Debye temperature in nanowires and its implication on Lindeman relation

In this paper we investigate a possible link between the depressions of the melting temperature Tm and the Debye Temperature θD in metal nanowires and check the validity of Lindeman relation on size reduction that connects these two physical quantities. From direct measurements of the θD and Tm, we show that the depressions in these physical quantities are such that ΔTm(d) and ΔθD2(d) have nearly the same inverse power law dependence on the diameter d (with the exponent ≈−0.6) for nanowires with diameters down to 30 nm. However the ratio θDTm1/2 is strictly not constant showing a reduction of nearly 9% when the sample size is taken from bulk to 30 nm. We discuss the physical significance of this observation and its impact on Lindeman criterion for melting.
Fabrication of compact 100 nm‐scale silicon metal–oxide–semiconductor field effect transistors

The fabrication of exploratory silicon metal–oxide–semiconductor field effect transistors in which all device levels meet 100 nm groundrules is reported. The device design incorporates several novel features which allow for an ultracompact structure. These features include shallow trench isolation, over‐the‐gate contacts, fully overlapped source, drain and gate contacts and shallow source and drain extensions. This article offers a detailed description of the fabrication process, with an emphasis on high resolution, high accuracy electron beam nanolithography and new reactive ion etching processes. Complete process integration is described which culminates in the successful fabrication of functional compact devices.
Influence of the hydrogen bond on polymorphism in the infrared spectra of mesogens

The influence of H-bonds on formation of polymorphous modifications and mesomorphic states in the homologous series of alkylbenzoic, alkoxybenzoic, alkylcyclohexanecarboxylic acids, some of their fluorinated derivatives and in formyl-, hydroxy- derivatives of biphenyl in the five component LC mixture of 4-4'-alkyl-, 4-4-'alkoxy- derivatives of cyanobiphenyls has been discussed.
REACTIONS OF THE ETHYL RADICAL: V ADDITION TO THE MONOMETHYL ACRYLONITRILES

The Arrhenius parameters have been measured for the addition of the ethyl radical to methacrylonitrile and to the cis and trans isomers of crotononitrile. The energy of activation for each of these derivatives is significantly greater than for acrylonitrile. There is no significant variation among the values of the energy of activation for the monomethyl acrylonitriles, so that the introduction of a methyl group into the acrylonitrile molecule appears to raise the energy of activation by an amount which is insensitive to the position of the group. The pre-exponential factor is significantly smaller for each of the crotononitrile isomers than for methacrylonitrile; the partial shielding of the β-carbon atom of crotononitrile is thus expressed by a steric factor rather than by an energy term. The cis-trans isomerization of crotononitrile is photosensitized by diethyl ketone illuminated by o 3 130 A radiation in both the liquid and gaseous phases; a mechanism of triplet state energy transfer is proposed for .
진행 담낭암에서 포트시스템을 이용한 간동맥항암제 주입 요법

Gallbladder (GB) cancer is relatively rare and has a poor prognosis, with a median survival time of less than 3 months. It is resistant to chemotherapy. Therefore, the role of systemic chemotherapy is limited. However, administering the anticancer agent directly into the hepatic artery can result in a higher drug concentration in the cancer tissue. In this paper, we report a case of advanced GB cancer treated with hepatic arterial infusion chemotherapy (HAIC) using the port system. The patient received six cycles of HAIC with 5-fluorouracil (750 mg/㎡) and cisplatin (25 mg/㎡); each cycle lasted for 4 days every month. The tumor showed objective response during HAIC, and the patient survived for 15 months from the first therapy. HAIC using the port system might be a promising therapeutic modality for treating locally advanced GB cancer. (Korean J Med 2018;93:50-54)
Diameter-based separation of single-walled carbon nanotubes through selective extraction with dipyrene nanotweezers

We have been developing host–guest methodology for the separation of single-walled carbon nanotubes (SWNTs) according to handedness and diameter with gable-type chiral diporphyrins. The diporphyrins, designated as porphyrin nanotweezers, consist of two porphyrins and rigid spacer in between. As an extension of our strategy, novel nanotweezers having two pyrenes instead of porphyrins have been designed, because pyrene is known to have high affinity toward SWNT surface. The pyrene nanotweezers presented here consist of two 1- or 2-pyrenes and 3,6-carbazolylenes with various N-substituents. For the extraction of SWNTs, the 1- and 2-pyrene nanotweezers show a marked contrast: 1-pyrene nanotweezers selectively extract SWNTs with diameters ranging from 0.84 nm to 0.97 nm, while 2-pyrene nanotweezers are not able to extract SWNTs at all.
Synthesis and Rate Performance of Monolithic Macroporous Carbon Electrodes for Lithium‐Ion Secondary Batteries

Three‐dimensionally ordered macroporous (3DOM) materials are composed of well‐interconnected pore and wall structures with wall thicknesses of a few tens of nanometers. These characteristics can be applied to enhance the rate performance of lithium‐ion secondary batteries. 3DOM monoliths of hard carbon have been synthesized via a resorcinol‐formaldehyde sol–gel process using poly(methyl methacrylate) colloidal‐crystal templates, and the rate performance of 3DOM carbon electrodes for lithium‐ion secondary batteries has been evaluated. The advantages of monolithic 3DOM carbon electrodes are: 1) solid‐state diffusion lengths for lithium ions of the order of a few tens of nanometers, 2) a large number of active sites for charge‐transfer reactions because of the material's high surface area, 3) reasonable electrical conductivity of 3DOM carbon due to a well‐interconnected wall structure, 4) high ionic conductivity of the electrolyte within the 3DOM carbon matrix, and 5) no need for a binder and/or a conducting agent. These factors lead to significantly improved rate performance compared to a similar but non‐templated carbon electrode and compared to an electrode prepared from spherical carbon with binder. To increase the energy density of 3DOM carbon, tin oxide nanoparticles have been coated on the surface of 3DOM carbon by thermal decomposition of tin sulfate, because the specific capacity of tin oxide is larger than that of carbon. The initial specific capacity of SnO2‐coated 3DOM carbon increases compared to that of 3DOM carbon, resulting in a higher energy density of the modified 3DOM carbon. However, the specific capacity decreases as cycling proceeds, apparently because lithium–tin alloy nanoparticles were detached from the carbon support by volume changes during charge–discharge processes. The rate performance of SnO2‐coated 3DOM carbon is improved compared to 3DOM carbon.