Miracle-dz/UniFAR-FTUs huggingface dataset:
Treatment of contaminated water, air and soil with UV flashlamps

A new and effective method has been developed for the treatment of VOC's, PCB's and other toxic organics. Direct UV photolysis of organics is achieved with this new method with the use of high intensity ultraviolet light of a broad UV spectrum. Standard and novel UV flashlamps can be used for generation of this broad UV spectrum. The pulsing nature of such spectrum helps to increase the efficiency of destruction of toxics. The final products of this destruction process are non-toxic simple compounds. The energy efficiency of this new process exceeds that the traditional UV aided processes with medium pressure mercury lamps. This article reviews the Direct UV Photolysis Process, gives experimental results, and provides recommendations for applications in the treatment of groundwater, wastewater, contaminated air and soil.
Controllable Fabrication of Multibranched TiO2 Nanotubes via a Two-step Anodization Method

Multibranched TiO 2 nanotubes have been controllably fabricated through a two-step anodization method. By tailoring the diameter ratio of the stem and branch accurate by multibranched, such as two-, three-, and four-branched, TiO 2 nanotubes were obtained. The relationship of the diameter ratio and the branch number also has been discussed. This method provides a powerful approach to produce multibranched TiO 2 nanotubes, which should have great potential application in future nanoscale systems.
Graphene-Wrapped Fe(3)O(4) Anode Material with Improved Reversible Capacity and Cyclic Stability for Lithium Ion Batteries

[Zhou, Guangmin; Li, Feng; Zhang, Lili; Li, Na; Wu, Zhong-Shuai; Wen, Lei; Cheng, Hui-Ming] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China. [Wang, Da-Wei; Lu, Gao Qing (Max)] Univ Queensland, AIBN, ARC Ctr Excellence Funct Nanomat, Brisbane, Qld 4072, Australia. ;Li, F (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China;fli@imr.ac. cn cheng@imr.ac. cn
Laser‐driven chemical vapor deposition of platinum at atmospheric pressure and room temperature from CpPt(CH3)3

Photolysis of CpPt(Me)3(Cp=η5‐C5H5, Me=CH3) at room temperature and atmospheric pressure produces thin films and patterned structures of platinum metal on solid substrates. The platinum films are characterized by Auger electron spectroscopy, x‐ray diffraction, and scanning electron microscopy. Substrates can also be prepatterned by laser irradiation and then developed into a shiny platinum deposit at a later time.
2′, 3′-Dideoxy-3′-fluorotubercidin and Related Dideoxyribonucleosides:. Synthesis via a 2′-deoxy-3′-oxoribofuranoside intermediate and conformation studies

An efficient synthesis of the unknown 2′-deoxy-D-threo-tubercidin (1b) and 2′, 3′-dideoxy-3′-fluorotubercidin (2) as well as of the related nucleosides 9a, b and 10b is described. Reaction of 4-chloro-7-(2-deoxy-β-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine (5) with (tert-butyl)diphenylsilyl chloride yielded 6 which gave the 3′-keto nucleoside 7 upon oxidation at C(3′). Stereoselective NaBH4 reduction (8) followed by deprotection with Bu4NF(9a)and nucleophilic displacement at C(6) afforded 1b as well as 7-deaza-2′-deoxy-D-threo-inosine (9b). Mesylation of 4-chloro-7-{2-deoxy-5-O-[(tert-butyl)diphenylsilyl]-β-D-threo-pentofuranosyl}-7H-pyrrolo[2,3-d]-pyrimidine (8), treatment with Bu4NF (12a) and 4-halogene displacement gave 2′, 3′-didehydro-2′, 3′-dideoxy-tubercidin (3) as well as 2′, 3′-didehydro-2′, 3′-dideoxy-7-deazainosne (12c). On the other hand, 2′, 3′-dideoxy-3′-fluorotubercidin (2) resulted from 8 by treatment with diethylamino sulfurtrifluoride (10a), subsequent 5′-de-protection with Bu4NF (10b), and Cl/NH2 displacement. 1H-NOE difference spectroscopy in combination with force-field calculations on the sugar-modified tubercidin derivatives 1b, 2, and 3 revealed a transition of the sugar puckering from the 3′T2′ conformation for 1bvia a planar furanose ring for 3 to the usual 2′T3′ conformation for 2.
Nanoscale patterning using self-assembled polymers for semiconductor applications

Thin films of self-organizing diblock copolymers may be suitable for semiconductor applications since they enable patterning of ordered domains with dimensions below photolithographic resolution over wafer-scale areas. We investigate the process window for forming ordered arrays of nanoscale polymer domains in thin films across 8-in. -diam silicon wafers, including the effect of substrate material and surface treatment, annealing conditions, copolymer molecular weight, and film thickness. We also demonstrate pattern transfer of the nanoporous polymer template using both reactive ion etching and metal lift off.
Observation of supramolecular π–π dimerization of a dinuclear ruthenium complex by 1H NMR and ESMS

The dinuclear ruthenium complex of bis{dipyrido[3,2-f:2′,3′-h]quinoxalo}[2,3-e:2′,3′-l]pyrene (bqpy) forms dimers in solution maintained only by π–π stacking of the bridging ligand, stable enough to be observed not only by 1H NMR spectroscopy but also by electrospray mass spectrometry at low accelerating cone voltage.
Fabrication of CuO nanotubes by electrospinning, metallisation and annealing

A straightforward combined technology of electrostatic spinning and metallisation was developed to produce novel metallic nanotubes and nanofibres. The metals were deposited onto electrospun poly(vinyl alcohol) (PVA) nanofibres as a template by metallisation method. After removal of the nanofibre template by heat treatment at 400°C for 24 h, the fibrous morphologies were satisfactorily conserved, suggesting the successful deposition of metal layer on the surface of nanofibre template. Wide-angle X-ray diffraction data confirmed that the PVA nanofibres metallised with the copper layer of 200 nm clearly showed typical copper crystalline peaks, whereas after calcination of the nanofibre templates, interestingly, new crystalline peaks were observed at 2θ = 32.5°, 35.5°, 38.7°, 48.7°, 53.4° and 58.4°, corresponding to the (1 1 0), (0 0 2), (1 1 1), ( 0 2), (0 2 0) and (2 0 2) reflections, respectively. The resulting metallic nanotubes and nanofibres were found to show a typical CuO crystalline structure.
Uniform semiclassical calculation of resonance energies and widths near a barrier maximum

The accuracy of semiclassical techniques for calculating time delay resonance energies and widths at energies near a barrier maximum is investigated. Starting from the semiclassical phase shift that is uniformly valid at the barrier maximum, the corresponding time delay function is derived. The semiclassical time delay resonance energies and widths are in good agreement with accurate quantum results for energies below, at and above the barrier maximum. A new approximate formula for the width is derived that is uniformly valid at the barrier maximum. The relation between the new formula and other approximate formulae in the literature is discussed. To obtain results that are uniformly valid at the barrier maximum it is important not to introduce any additional approximations into the semiclassical theory. The discrepancies recently reported by LeRoy and Liu are shown to arise from additional approximations in their formulae or from the use of a different set of boundary conditions in the semiclassical anal.
Eco-friendly energetic complexes based on transition metal nitrates and 3,4-diamino-1,2,4-triazole (DATr)

Four eco-friendly energetic metal complexes of 3,4-diamino-1,2,4-triazole (DATr), including manganese (1), cobalt (2), nickel (3), and zinc (4), were synthesized by reacting DATr·HCl with the corresponding metal (Mn(II), Co(II), Ni(II), and Zn(II)) nitrate in aqueous solution and characterized by using Fourier transform-infrared spectroscopy and elemental analyses. The single crystals of 2, 3, and 4 were obtained and determined by X-ray single-crystal diffraction analysis. All three complexes crystallize in the monoclinic crystal system and belong to P2(1)/n space group. The thermal decomposition processes were investigated by differential scanning calorimeter (DSC) and thermogravimetry–derivative thermogravimetry analyses. The results show that the decomposition temperatures of 1–4 are above 260 °C, depending upon their onset DSC peaks. It can be predicted that these complexes based on 3,4-diamino-1,2,4-triazole have good thermal stability. The nonisothermal kinetic parameters of decomposition were calculated by using Kissinger and Ozawa–Doyle’s methods. Furthermore, the sensitivities of these complexes to impact, friction, and flame were determined. Sensitivity tests revealed that 2 was more sensitive to external stimuli compared to the other three complexes. Graphical Abstract Four nitrate-containing metal complexes based on 3,4-diamino-1,2,4-triazole are described as eco-friendly energetic coordination compounds. Their synthesis, characterization, and some energetic properties are studied. The figure reveals the crystal structure of zinc (II) complex and also suggests the coordination mode of metal complexes.
Surface depletion and electrical transport model of AlInP-passivated GaAs nanowires

Fabrication, current–voltage characterization and analytical modeling of an AlInP-passivated GaAs nanowire (NW) ensemble device are presented. During fabrication, sonication was used as a novel and crucial step to ensure effective contacting of the NWs. Current–voltage characteristics of the passivated NW devices were fitted using an analytical surface depletion and transport model which improves upon established models by implementing a non-uniform density of GaAs surface states and including a NW diameter distribution. Scanning electron microscopy, capacitance–voltage characterization and secondary ion mass spectrometry were used to fix key parameters in the model. A 55% decrease in surface state density was achieved upon passivation, corresponding to an impressive four order of magnitude increase in the effective carrier concentration of the NWs. Moreover, the thickest NWs in the ensemble were found to dictate the device characteristics, which is a behavior that should be common to all ensemble NW devices with a distribution in radius. As final confirmation of effective passivation, time-resolved photoluminescence measurements showed a 25× improvement in carrier lifetime upon passivation. The fabrication and passivation methods can be easily implemented into future optoelectronic applications.
Development of biomarkers in an integrated approach to environmental studies

This study was conducted in a contained environment in order to develop biomarkers and to evaluate the environmental damage after a release of two different toxic substances which are widely used in industrial production. In a simulation study performed in Tor Mancina area (near Rome, Italy), two dangerous substances (formaldehyde and bromine) were tested. Chemical and physical characterisation, nutritive and organic contents, and trace elements presence were also investigated. The contamination effects on soil functional qualities and plant nutrition were evaluated; furthermore DNA damage with short-term genotoxicity tests and DNA biosensor on polluted soils and gravitational water, was detected. The genotoxic effects were evaluated on Vicia faba seedlings by two different short-term tests: comet assay and micronuclei test. A DNA-based biosensor for the detection of genotoxic compounds in soil samples was assembled by immobilising double stranded calf thymus DNA on screen-printed electrodes. An agreement between the comet assay and the other methodologies was observed. The results showed that the nature and the concentration of the two substances result in different molecular interaction with exposed environment. Furthermore, some of the chemical physical parameters considered are applicable indicators for the evaluation of the soil? plant system pollution.
Anharmonic vibrational properties of CH2F2 : A comparison of theory and experiment

Ab initio theoretical chemistry is used to provide a complete understanding of the infrared spectroscopy of CH2F2. Second‐order Mo/ller–Plesset perturbation theory (MP2) with a 631G extended basis set is used to provide a quartic expansion of the potential energy surface and a cubic expansion of the dipole surface. Standard perturbation theory is then used to determine effective vibrational and rotational Hamiltonians for fundamentals, selected overtones, and combination bands. Effects of Fermi resonance, Darling–Dennison resonance, and Coriolis resonance are included by matrix diagonalization. Empirical (x,K) relations are used to demonstrate that the anharmonic constants for C–H are in good agreement with those determined from CH2Cl2. The local mode nature of the CH overtones is demonstrated. Important resonances are found to be (ν3,2ν4), (ν8,ν4+ν9), and (ν1,2ν2,2ν8,ν4+ν8+ν9, 2ν4+2ν9,ν3+2ν9). Rotational constants, quartic and sextic centrifugal distortion constants, vibration rotation interaction consta.
Tuning structural parameters of polyethylene brushes on silica nanoparticles in surface-initiated ethylene “living” polymerization and effects on silica dispersion in a polyolefin matrix

Surface-initiated ethylene “living” polymerization with covalently tethered Pd–diimine catalysts represents a novel technique for covalent surface functionalization of silica nanoparticles with polyethylene (PE) brushes. In this paper, we report on the successful tuning of various structural parameters of PE brushes in this surface-initiated polymerization technique, including brush length, density, and topology. To control/reduce the brush density, the density of the surface-tethered acryloyl groups for catalyst immobilization is adjusted by using mixed silane agents comprised of effective 3-acryloxypropyltrichlorosilane and inert ethyltrichlorosilane at different compositions in the surface functionalization step, which in turn adjusts the density of immobilized catalysts for rendering PE brushes. This approach gives rise to low-polydispersity PE brushes of controllable densities at the polymerization condition of 27 atm/5 °C: 0.022–0.055 chains per nm2 on a precipitated silica (Silica-I) and 0.07–0.17 chains per nm2 on a fumed silica (Silica-II). The length of PE brushes is controlled by adjusting the polymerization time, with the highest brush length of about 45 kg mol−1 achieved at 6 h of polymerization at 27 atm/5 °C. Unlike the linear brushes with short branch structures obtained at 27 atm/5 °C, hyperbranched PE brushes with compact topology are obtained at 1 atm/25 °C, benefiting from the chain walking mechanism of the Pd–diimine catalyst. The PE-grafted silicas of varying brush density and length are subsequently used as nanofillers to construct polymer nanocomposites with an ethylene–α-olefin copolymer as the matrix polymer. The effects of brush length and density on the nanofiller dispersion and physical properties of the composites are examined. This represents the first study on polyolefin composites containing silica nanoparticles grafted with polyolefin brushes as nanofillers.
A new approach to design a control system for a FGR furnace using the combination of the CFD and linear system identification techniques

A new approach to design control systems for an industrial furnace with flue gas recirculation (FGR) is presented. To facilitate the control system design, a linear dynamic model is needed for the furnace. Full-scale computational fluid dynamics (CFD) simulations are used to generate the required small signal input and output data sets. Subsequently, a least squares based system identification technique is used to obtained the linear dynamic models. After model validation, feedback controller is designed based on these linear dynamic models. Finally, the performance of the designed closed-loop control system is also evaluated using both linear dynamic model and full-scale nonlinear CFD model. The comparison shows that the control system designed using the proposed approach can minimize the deviation of nitric oxides (NO) emission from the design point by minimize the dynamic NO formation, hence to prevent any excessive NO formation in the combustion process when the system subjects to disturbances.
ANALYSIS OF PERFORMANCE PARAMETER FROM BALANCED SCORECARD PERSPECTIVE IN INDONESIAN CONSTRUCTION FIRM

This research examines the relationships between variables in each balanced scorecard perspectives in Indonesian construction firm. Questionnaires were distributed through offline (sales intercept) and online (freeonlinesurveys.com) basis. We use Cronbach’s Alpha, Pearson Correlation, and Regressions to test the validity and relationship between variables in the model. From 162 questionnaires processed, the results show that there are positive correlation between hard & soft skills and SERVQUAL (tangibility, reliability, responsiveness, assurance, and empathy), SERVQUAL and customer perspectives, and customer perspective and sales. The firm should improve the non-financial perspectives to increase the sales (financial perspectives) since It is proven that there are significant effects between variables. Abstract Balanced Scorecard, Hard Skill, Soft Skill, SERVQUAL, Customer Satisfaction, Customer Retention, Sales, Construction Firm, Indonesia.
Detection of the standing X-ray wavefield intensity inside a thin crystal using back-diffraction topography and imaging

The standing X-ray waveﬁeld into a single-crystal bulk is characterized by acombination of the diffracted–reﬂected h-beams and the diffracted–transmittedo-beam. For different angular positions on the total reﬂection region, thestanding X-ray waveﬁeld has its maximum from the region between the atomicplanes (low photoelectric absorption) to the region on the atomic planes (highphotoelectricabsorption). Historically,the evidencefor sucha characteristichascome from experiments such as anomalous transmission (Borrmann effect,originally detected in Laue geometry) and ﬂuorescent measurements with asingle crystal under diffraction conditions. In the present work, such acharacteristic is demonstrated by the direct measurement of the standingX-raywaveﬁeldintensityintoa50 mm-thicksingle-crystalCCDdetector(Si800)set in back-diffraction geometry.1. IntroductionIn general, single crystals under diffraction conditions presentdynamical diffraction effects, i.e. the interaction between thediffracted–reﬂected h-beams and the diffracted–transmittedo-beam may be detected. Such an interaction is characterizedby a standing waveﬁeld near to the surface (evanescentwaveﬁeld) and into the crystal bulk. For different angularpositions on the total reﬂection region, the standing waveﬁeldhas its maximum from the region between the atomic planes(low absorption) to the region on the atomic planes (highabsorption). The standing waveﬁeld is evidenced, but notdirectly detected, by experiments such as anomalous trans-mission (Borrman, 1955; Authier, 2001) and secondary ﬂuor-escent emission (Batterman, 1962) under single-crystaldiffraction conditions. The X-ray standing wave technique isalso used to characterize single-crystal materials (Authier,2001). Self-detection of X-ray diffraction is achieved by measuringadecreaseinthephotocurrent orinthephotocountingwhenasingle-crystal detector is set in the diffraction condition(Zheludeva, 1985; Holy´ et al., 1985; Jach et al., 1988). Thiseffect has been used for angular control of synchrotronmonochromators (Jach, 1990; Hall et al., 2004), in determiningthe energy resolution of graded SiGe monochromators (Erkoet al., 2001), and as a method for detecting X-ray diffraction atangles around and exactly equal to /2 (back-diffraction)(Ho¨nnicke et al., 2004). Also, self-detection imaging with thediffraction of a single-crystal CCD detector, at diffractionangles far from /2, has been reported (Ho¨nnicke & Cusatis,2005; Mitschke et al., 2005). In X-ray back-diffraction geometry (Caticha & Caticha-Ellis, 1982; Cusatis et al., 1996) the diffracted h-beam overlapstheincidentbeam.Insuchageometry,thewidthsofthesingle-crystal rocking curves are much larger ( 10
Preparation and Stereoselectivity of [Cr(L‐Amino Acidato)2(L‐Amino Acidato‐N)(H2O)]

New complexes of the bis‐type [Cr(AA)2(AA‐N)(H2O)], where AA stands for L‐amino acidato ligands (L‐leucine, L‐methionine, L‐phenylalanine, L‐serine, L‐threonine) and AA‐N represents monodentate L‐amino acidato ligand with an amino nitrogen as a donor atom, were prepared by heating mixtures of [Cr(NH3)6](OOCCH3)3 and L‐amino acid in alcoholic solution. In the case of L‐leucine and L‐phenylalanine, the mixture of (+)546‐ and (−)546‐[Cr(AA)2(AA‐N)(H2O)] were obtained. The optical resolution of the phenylalanine complex was tried by column chromatography and the (+)546‐bis‐type complex was obtained. With the other amino acids, only (+)546‐bis‐type complexes were stereoselectively obtained.
Supramolecular self-organization in constitutional hybrid materials

We present in this paper a new strategy to transcribe the supramolecular dynamic self-organization of the G-quadruplex and ureidocrown ether ion channel-type columnar architectures in constitutional hybrids. In particular, the use of a “dynamic reversible hydrophobic interface” can render the emerging hybrid mesophases self-adaptive. The reversible hydrophobic interactions allow both supramolecular and inorganic silica components to mutually (synergistically) adapt their spatial constitution during simultaneous (collective) formation of micrometric self-organized hybrid domains. More generally, applying such consideration to materials, leads to the definition of constitutional hybrid materials, in which organic (supramolecular)/inorganic domains are reversibly connected. This might provide new insights into the features that control the design of functional materials.
Ionizing radiation induced degradation of tetrachlorobiphenyl in transformer oil

Complete degradation of 2,2[prime],6,6[prime]-tetrachlorobiphenyl (PCB-54) in transformer oil is achieved by ionizing radiation without degradation of the oil. [gamma]-irradiation of transformer oil containing PCB-54 with a dose of 200 kGy results in complete destruction of the PCB. Analysis of samples irradiated with various doses demonstrated gradual degradation of PCB-54 and successive formation and degradation of trichloro-, dichloro-, and monochlorobiphenyl. The final products are mainly biphenyl and inorganic chloride. The mechanism of reductive degradation is studied by pulse radiolysis. The oil contains many aromatic hydrocarbons; the most abundant being biphenyl, fluorene, and phenanthrene. Solvated electrons formed by irradiation of the oil react either with the PCB to lead to dechlorination or with the aromatic hydrocarbons present in the oil to form radical anions. These species are shown to transfer an electron to chlorinated biphenyls relatively rapidly, leading to dechlorination. The rate constants for several such reactions, determined in 2-propanol solutions, are in the range of 10[sup 7]--10[sup 8] L mol[sup [minus]1] s[sup [minus]1]. These rapid reactions explain why PCB can be dechlorinated in oil despite the presence of aromatic hydrocarbons in the oil and despite the formation of biphenyl as a radiolysis product that reacts rapidly with solvated electrons.