Synthesis and Properties of Novel Surface Active Maleic Monomer Containing Phosphate Group

A novel surface active monomer （surfmer） containing poly（ethylene glycol） chain and terminated phosphate group was synthesized. The copolymerization of synthesized surfmer with NVP （N-vinylpyrrolidone） and with NVP and VEP （5-tert-butylperoxy-5-methyl-2-hexene-3-yne monomer） led to formation of corresponding surface-active copolymers. The capability of application of resulted copolymers as surface active macroinitiators of emulsion polymerization of styrene and as components of polymeric scaffolds was investigated.     

Detection of DNA Mutations Using Novel SERS （Surface-Enhanced Raman Spectroscopy） Diagnostic Platform

This article describes the detection of DNA mutations using novel Au-Ag coated GaN substrate as SERS （surface-enhanced Raman spectroscopy） diagnostic platform. Oligonucleotide sequences corresponding to the BCR-ABL （breakpoint cluster region-Abelson） gene responsible for development of chronic myelogenous leukemia were used as a model system to demonstrate the discrimination between the wild type and Met244Val mutations. The thiolated ssDNA （single-strand DNA） was immobilized on the SERS-active surface and then hybridized to a labeled target sequence from solution. An intense SERS signal of the reporter molecule MGITC was detected from the complementary target due to formation of double helix. The SERS signal was either not observed, or decreased dramatically for a negative control sample consisting of labeled DNA that was not complementary to the DNA probe. The results indicate that our SERS substrate offers an opportunity for the development of novel diagnostic assays.     

From MEMS to NEMS： Smart Chips with Senses and Muscles

The last half-century was transformed by the electronic revolution that essentially reproduced the human brain and its computing capacity on a chip. But over time, scientists have realized that something was missing to give life, so to speak, to the small chip with a brain： One needed to awaken its senses and develop its muscles! This challenge was solved through MEMS （micro electro mechanical systems）. Indeed, MEMS today are equipped with the sense of sight, smell, hearing, taste and touch through microsensors. They are also capable of physical exertion through small muscles called microactuators. These new capabilities open wide fields of imagination and important specific applications.     

Fe~(3+)掺杂纳米TiO_2催化剂光催化还原CO_2的性能

采用改良的溶胶-凝胶法制备了Fe3+掺杂纳米TiO2(简写为Fe-TiO2)催化剂,并用X射线衍射、高分辨透射电子显微镜、傅里叶变换红外光谱、热重-差热分析等方法对其进行了表征。表征结果显示,Fe-TiO2催化剂的分散性好,平均粒径为9.37nm,比表面积为85.46m2/g;掺杂Fe3+不仅使TiO2的平均粒径减小,且有效抑制了TiO2的晶相转变,该催化剂保持单一的锐钛矿相结构。考察了Fe-TiO2催化剂光催化还原CO2的性能,实验结果表明,当Fe3+掺杂量为4.0%(相对于TiO2的质量分数)的Fe-TiO2催化剂用量1.0g/L、反应时间8h、CO2流量200mL/min、反应温度90℃、反应液中NaOH和Na2SO3的浓度均为0.10mol/L时,甲醇的产率高达308.76μmol/g(以每克催化剂上生成甲醇的物质的量计)。此外,对Fe-TiO2催化剂光催化还原CO2的机理进行了探讨。     

La_2O_3／TiO_2／SO_4~(2-)纳米光催化剂的制备和性能

采用溶胶-凝胶-浸渍法制备了La2O3／TiO2／SO42-纳米光催化剂。采用X射线衍射和BET比表面积测试法对纳米光催化剂的晶型和比表面积进行了表征。以甲基橙溶液为光催化降解反应模型化合物,考察了纳米光催化剂的催化活性。实验结果表明,La2O3的掺杂使TiO2的粒径减小,比表面积增大,La2O3的最佳掺杂量(相对于TiO2的摩尔分数)为1．00％,La2O3／ TiO2(x(La2O3)=1．00％)为纳米光催化剂时,甲基橙的脱色率达到75．8％(光照60min);SO42-的负载也使TiO2的粒径减小, 比表面积增大,浸渍液H2SO4的浓度对纳米光催化剂的催化活性有一定的影响,H2SO4的最佳浓度为0．4 mol／L,TiO2／SO42- (c(H2SO4)=0．4 mol／L)为纳米光催化剂时,甲基橙的脱色率达到83．2％(光照60 min);掺杂La2O3和负载SO42-使TiO2纳米光催化剂的催化活性显著提高,La2O3／TiO2／SO42-(x(La2O3)=1．00％,c(H2SO4)=0．4mol／L)为纳米光催化剂时,甲基橙的脱色率达到91．7％(光照60min)。     

Acoustical Properties of Acetylated Wood

Many of the traditional woods used for musical instruments have been selected not only for their natural beauty but for the high content of waxes and resins that help increase water repellency of the wood but have little or no effect on stabilizing dimensions or vibrational properties. Moisture changes have a great negative effect on both the musical quality of wooden musical instruments and limit the length of time they can be played without loss of musical quality. It is possible to stabilize both the wood and the vibrational properties by chemically modifying the wood. One technology that can do this is the reaction of wood with acetic anhydride. Acetylation of wood slightly increases density, and slightly （about 5%） reduces both sound velocity and sound absorption when compared to unreactedwood. Acetylation does not change the acoustic converting efficiency. Acetylation reduces the amount of moisture in the cell wall decreasing the effect of moisture on the viscose properties of wood. This allows a wooded musical instrument to be played longer without having to let it dry out. This gives an instrument made from acetylated wood a greater range of moisture conditions it can be played in without losing tone quality. Acetylation also greatly stabilizes the physical dimensions of the wood. The major effect of acetylation of wood, therefore, is to stabilize acoustic properties. The technology can be applied to almost any wood though more easily to permeable types so non-traditional wood species can be used. A violin, a piano soundboard, a guitar, a recorder, a bagpipe chanter, and trumpet and trombone mouthpieces have been made using acetylated wood with very positive results. Several more wooden instruments made from acetylated wood are presently being made for further testing and early market development.     

Hydrocracking of Goudron in the Presence of a Suspended Natural Catalyst

The main results of hydrocracking of goudron under reduced pressure in the presence of a suspended catalyst have beenanalyzed. It was investigate the influence of temperature to hydrocracking process of goudron. It was determined that with increasing of temperature from 400 ℃ to 440 ℃ （0.5 MPa pressure） the yield of light oil products increased from 31.39% to 61% mass.     

Studies on the Authenticity of Local Wines by Spectroscopic and Chemometric Analysis

The authenticity of 91 wines produced in Cyprus from both indigenous and other vine varieties were investigated by a holistic approach, using, advanced technology such as SNIF-NMR （site-specific natural isotopic fractionation-nuclear magnetic resonance） and 1R-MS （isotope ratio-mass spectrometry） for the determination of the stable isotopes and ICP （inductively coupled plasma spectroscopy） for some heavy metals. The spectroscopic characteristics were evaluated statistically using different chemometric methods. The dependency of the D/H （deuterium/hydrogen） ratio of the methylene site in the ethanol molecule （D/H）ll and also theδ ^18O values of the wine water, were the most useful discriminators. Isotopic results allow us to have a complete idea about the regional variability of the isotopes. Among the metals, Ni followed by Pb was the ones with the highest discrimination value. The determined concentrations of Pb, Ni, Cr and Cd that are related to the safety of wines were within the acceptable limits that have been established by the OIV （international organization of vine and wine） or comparable with the results of the wines of other European countries. The study of the correlation between the load of heavy metals and isotopes in wines showed a dependence on the grape variety but not the geographical location of the vineyard. This is probably due to the close proximity of wine regions in Cyprus.     

Method of Calculation of Stability Constants of Fulvic Complexes on the Example of Copper

On the example of copper fulvate, it is discussed the method of calculation of stability constants of fulvic complexes. At pH = 8, the complex formation of copper（ll） ions with fulvic acids was studied by the solubility method. Fulvic acids were separated from the river Mtkvari by the adsorption-chromotographic method. The charcoal （BAU, Russia） was used as a sorbent. The suspension of copper（If） hydroxide was used as the solid phase, on which was added the increasing quantity of standard solution of fulvic acids. In diluted solutions, at pH = 8 the dominant form of copper（lI） is copper dihydroxo complex Cu（OH）^zO. It was established that in the Cu（OH）2 （solid）-Cu（OH）^20 （solution）-FA^2-H20 system, dominates copper dyhydroxo fulvate complex with the structure 1：1, [Cu（OH）2FA]^2. The average stability constant of copper dyhydroxo fulvate complex was calculated based on experimental data fl [Cu（OH）2FAJ^2 = 4.5× l0^5.     

Search for New Three-, Four-Component Petasis,Passerini, Hantzsch,Kabachnic-Fields,Ugi Reactions with Organic Compounds of Phosphorus,Arsenic, Antimony and Bismuth

It is discovered a new three-, four-component Petasis, Passerini, Hantzsch, Kabachnic-Fields, Ugi reactions with of arsine, stibine and bismuthine in organometallic chemistry. Modifications were replaced to a nitrogen atom of classical reactions of atoms of phosphorus, arsenic, antimony and bismuth. It has been proposed a new mechanism for possible reactions.     

Interference-Free Determination of REEs in Electronic Waste Using ICP Optical Emission Spectroscopy

Recently, the demand for REEs （rare earth elements） has been heavily increasing, as they are used in many high-tech products （e.g., because of their specific magnetic behavior）. As a result, the supply situation for REEs is worsening and the world market is depending on Chinese exports, so that it may be worthwhile to recycle e-waste （electronic waste） in European countries. This article describes an analytical method to analyze REEs in different kinds of e-waste with the help of a simultaneous ICP-OES （ICP optical emission spectrometer）. The task is challenging because samples show significant differences in terms of major, minor and trace element concentrations. Depending on the field of application, the level of matrix elements and target elements differs completely, resulting in a wide variety of spectral interferences. The method presented in this article allows an accurate quantification of REEs as well as a high sample throughput. In addition to REEs, other elements of economic interest can be determined in the same way. The development of a sample preparation process is another important issue and considered as well.     

Deposition of BaTiO3 Films from EthanoI-PVB Medium

EPD （electrophoretic deposition） of barium titanate from organic medium ethanol-PVB （polyvinyl butyral） was performed on Ni, Ti, steel substrate. Stable BaTiO3 suspensions with concentration of 2 wt.% have been prepared for the deposition. A uniform and dense layer was obtained for films deposited from ethanol with PVB of 0.1%. The surface topology of deposited films can be controlled via the applied voltage. This method allows to obtain crack-free and smooth layers BaTiO3 from organic medium with thickness of 4-20 μm.     

Bio-reduction of Sulphur Dyes with Alkaline Pectinase

Sulphur dyes are invariably applied on cotton to produce deep shades at cheaper cost possessing all-round fastness properties except against chlorine. Being water insoluble, these dyes are reduced and solubilised with sodium sulphide at boil to develop affinity for cotton. Application of sulphide has generated global debate because of its eco-unfriendly technology of dyeing. In this work, attempts were made to substitute sodium sulphide with alkaline pectinase. Obtained results suggested the ability of the latter to cause effective reduction and solubilisation of sulphur dyes. Stability of reduction baths as well as colour fastness was also reported to be in line with those obtained using sodium sulphide.     

Photochemical Decomposition of Pesticide Chemicals in Aerosol Particles and Thin Films Relevant to Environmental Conditions

Contamination of the environment by pesticides is the inevitable aftermath of plant protection, and a substantial portion of pesticide pollutants exists in the form of aerosol particles levitated in the air and deposited on plants, and as the pesticide residues （thin films） on the surface of plant leaves. The sunlight photolysis could be the resource for the accelerated photochemical decomposition of pesticide compounds to minimize the long-term environmental contamination. The rates of photochemical decomposition of pesticide chemicals propiconazole （commercial formulation Tilt） and haloxyfop-ethoxyethyl （Zellek） were measured in particles of 0.12-1.3 μm in diameter and in films 0.04-0.2 μm thick. A specific polyaromatic sensitizer Shirvanol was used to induce accelerated decomposition of the above pesticide particulates under both the solar radiation and the artificial UV light. It was established that propiconazole decomposes by the sensitized photo-oxidation only, but haloxyfop-ethoxyethyl reacts in both the oxygen （air） and oxygen-free mediums via both the direct and sensitized reactions. The photochemical mechanisms are hypothesized and argued for the oxidative and non-oxidative decompositions. The haloxyfop-ethoxyethyl （Zellek） residues lbrmed on foliage upon pesticide treatments of agricultural fields would essentially decompose under sunlight via a direct photoreaction in 4-6 weeks, but the propiconazole （Tilt） contaminants probably need more time.     

Characterization and Drying of Green Mint

Mint is a medicinal and aromatic plant. It is very important for the pharmacopoeia, perfumes, confectionery and liquor industry. Some green mint leaves without rods are used as samples. Physical and mechanical properties of the sample such as the desorption isotherms, the density and volumetric withdrawal are determined. The kinetics of drying, where it follows the changes of the water content of the sample as a function of the drying time for the three temperatures 30, 40 and 50℃, is also presented and discussed.     

An LC-MS Method for Evaluating Photostability of Naloxone Hydrochloride I.V. Infusion

Naloxone is a well-known opioid antagonist indicated for the treatment of CNS （central nervous system） and respiratory depression induced by natural or synthetic opioid in adults and neonates whose mothers have received opioids. While it has been reported that an injection of 0.2 mg/mL of naloxone hydrochloride is physically and chemically stable, data on photostability on continuous i.v. infusion of 0.2 mg/mL of naloxone hydrochloride has not been reported. Therefore, a method was required for assessment of naloxone hydrochloride photostability. A high performance LC-MS （liquid chromatography/mass spectrometry） method was established to evaluate the photostability of naloxone hydrochloride. Injections of naloxone hydrochloride in 0.9% sodium chloride were exposed to artificial light and stored at room temperature （22 ~C） and 37 ~C. Naloxone losses up to 9.79% of its initial concentration when exposed to light at room temperature for 192 h, but the degradation increased up to 14.91% as the storage temperature increase. The disappearance of naloxone hydrochloride was correlated with the appearance of nor-oxymorphonedegradant. Naloxone hydrochloride is photosensitive and degradation increased at highly temperature and light intensity. Therefore, naloxone i.v. infusion solutions should either be protected from light and/or be frequently replaced when being administered to patients.     

DFT-Study on Antioxydant of 3-Alkyl-4-P henylacetylam i no-1H-1,2,4-Triazol-5-O nes and Its Derivatives

In this article, we have performed B3LYP/6-31＋G（d） calculations of geometrical and reaction enthalpies of antioxidant mechanisms for ADPHT 1-4 （3-alkyl-4-phenylacetylamino-lH-1,2,4-triazol-5-ones） and its derivatives： HAT （hydrogen atom transfer）, SET-PT （single electron transfer-proton transfer） and SPLET （sequential proton-loss electron transfer） were investigated in gas and solution-phases. Solvent contribution to enthalpies was computed employing integral equation formalism IEF-PCM （integral equation formalism method） method. It turned out that the lowest BDEs （bond dissociation energies） is obtained for C-H bonds due to captodative effect in various media. Results indicate that HAT mechanism represents the most anticipated process in gas-phase from thermodynamic point of view. But, the SPLET represents the thermodynamically preferred reaction pathway in solvents （2-propanol, acetonitrile, DMF （N,N-dimethylformamide） and water）. The authors showed that bond dissociation energies, IP （ionization potential） and PA （proton affinity） are sufficient to evaluate the thermodynamically preferred mechanism.     

A three dimensional CFD simulation and optimization of direct DME synthesis in a fixed bed reactor

In this study, a comprehensive three-dimensional dynamic model was developed for simulating the flow behavior and catalytic coupling reactions for direct synthesis of dimethyl ether （DME） from syngas including CO2 in a fixed bed reactor at commercial scale under both adiabatic and isothermal conditions. For this purpose, a computational fluid dynamic （CFD） simulation was carried out through which the standard κ-ε model with 10% turbulence tolerations was implemented. At first, an adiabatic fixed bed reactor was simulated and the obtained results were compared with those of an equivalent commercial slurry reactor. Then the concentration and temperature profiles along the reactor were predicted. Consequently, the optimum temperature, pressure, hydrogen to carbon monoxide ratio in the feedstock and the reactor height under different operation conditions were determined. Finally, the results obtained from this three-dimensional dynamic model under appropriate industrial boundary conditions were compared with those of others available in literature to verify the model. Next, through changing the boundary conditions, the simulation was performed for an isothermal fixed bed reactor. Furthermore, it was revealed that, under isothermal conditions, the performed equilibrium simulations were done for a single phase system. Considering the simultaneous effects of temperature and pressure, the optimum operation conditions for the isothermal and adiabatic fixed bed reactors were investigated. The results of the H2＋CO conversions indicated that, under isothermal condition, higher conversion could be achieved, in compared with that under adiabatic conditions. Then, the effects of various operating parameters, including the pressure and temperature, of the reactor on the DME production were examined. Ultimately, the CFD modeling results generated in the present work showed reasonable agreement with previously obtained data available in the literature.     

Manifestation If Substance Molecular Structure in Temperature Effects of Light Scattering

DCMSL （depolarization components of molecular scattering of light） have been studied within the wide spectral range （0-200 cm-1） and in the temperature intervals （20-200 ℃） in toluol （C6HsCH3） and aniline （C6HsNH2）. It has been shown that when a liquid is heated and temperatures approach to critical ones, a significant contribution of DCMSL is made by vibration motion of molecules. The special properties of the temperature-frequency behavior of DCMSL spectra are discussed from the view point of hindered rotation of liquid molecules with consideration of intermolecular interaction.     

Evolution of Physical and Chemical Properties of Phenolic Resin-Based Carbon/Carbon Composites Reinforced with Short Discrete Fibers during Pyrolysis

In the present work, novolac phenolic resin-based composites reinforced with short discrete carbon fibers were pyrolized at different temperatures from 400℃ to 900℃. Their physical and chemical properties were studied, linterfacial bonding between the matrix and carbon fiber and its influence on mechanical properties of analyzed composites were analyzed. Experimental results demonstrated strengthening of interfacial bonding with increase of pyrolysis temperature. Evolution of failure behavior was observed.