Synthesis and Characterization of Cured Allyl/Propargyl Ether Novolac Resins

A new kind of modified thermoset resins were synthesized by phase-transfer Williamson reaction from novolac resin and mixtures of allyl- and propargyl-chlorides. The compositions of the resins were defined by 1H NMR （nuclear magnetic resonanse） spectroscopy and the dependence of the cured materials properties on the composition was established. Increase of a propargyl content resulted in char yield raise and the maximum value had been found for propargylated resin--58%. DSC （differential scanning calorimetry）-analysis of the resins has demonstrated that exothermic enthalpy of the curing process could be adjusted by varying the content of propargyl and allyl groups in the resin.     

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.     

Innovative Production of PCMs （Phase Change Materials） Preparation by Vacuum Impregnation： Thermal Insulation Efficiency

Energy is essential for every human activity for more comfortable life, but it also consumes more natural resources. Fossil fuel is the major energy source for energy consumption, and it also emits a lot of air pollution during usage to atmosphere and not reproductively. Electrical energy is the secondary energy sources from fossil fuel which is used to operate air conditioning system. In order to control human comfort temperature, it is usually required when the temperature differences swing between indoor and outdoor temperatures. PCMs （phase change materials） are the high latent heat materials which can be used in building materials for energy conservation purpose. PCMs can store thermal energy and prevent heat to pass through temperature control areas. Paraffin has been used as PCMs which is absorbed into the pore of fly ash as paraffin/fly-ash composite and mixed into the buildings materials. Paraffin is an organic material with high melting point （-59 ~C） and nonflammable material, therefore, it can be used as the building materials for the function of PCMs for energy saving purposes. Composite PCMs can be prepared by vacuum impregnation process. Paraffin in liquid form will be impregnated into the pore of fly ash by vacuum capillary force to form paraffin/fly ash composite PCMs. Vacuum impregnation pressures, vacuum times, impregnation times of liquid paraffin in fly ash pores and temperatures for melting the solid paraffin into the liquid form are all affect on the thermal properties of paraffin/fly ash composite PCMs. Composite PCMs will be selected by the optimum thermal properties with optimum of the production conditions for replace the cement powder in the mortar plate compositions. Cement mortar plate with and without composite PCMs will be tested for the thermal insulation properties by comparison as the real day and night time for 8 h period from spot light turn on and off. Temperature detection on the surface and inside the model building under mortar plate with and without composite PCMs is detected every 1 min. Temperature differences between surface of mortar plate over the model building and inside temperature of model building under mortar plates increase with more composite PCMs contents in mortar plates. Thermal insulation efficiency in the building can be enhanced by the composite PCMs utilization as the composition of the building materials.     

Synthesis and properties of soluble poly（aryl ether sulfone ether ketone）s copolymers containing pendant methyl groups

A series of Poly（arly ether sulfone ether ketone）s containing pendant methyl groups were synthesized by the reaction of 4,4＇-[sulfonylbis （1,4-phenylene）dioxy] dibenzoyl chloride （SODBC） with 4,4＇- diphenoxy diphenylsulfone （DPODPS）, 4,4＇- di（2-methylphenoxy） diphenylsulfone （o-Me-DPODPS）, 4,4＇- di（3-methylphenoxy） diphenylsulfone （m-Me-DPODPS）, 4,4＇- di （2,6-bimethylphenoxy） biphenylsulfone（o-Me2-DPODPS） respectively, in a mixture of 1,2-dichloroethane （DCE） and N-methylpyrrolidone （NMP）. These reactions were catalyzed by anhydrous aluminum chloride （AlCl）. The characteristic of copolymers were studied by means of advanced analytical techniques such as FT-IR,1H-NMR, DSC, TGA and WAXD. The results show glass transition temperature （Tg） in the range of 193-206℃, thermally stable in excess of 434℃ and excellent solubility in polar solvents. Methyl-substituted Poly（aryl ether sulfone ketone）s had higher glass transition temperatures, lower initial decomposition temperatures than the unsubstituted ones.     

超支化环氧/双酚A环氧杂化树脂的固化反应动力学

通过一步法合成了一种低黏度的芳香族超支化环氧树脂(HTME-2),并与双酚A环氧树脂(DGEBA)杂化制备了超支化环氧/双酚A环氧杂化树脂(简称杂化树脂),研究了杂化树脂的机械性能(包括拉伸强度、弯曲强度、冲击强度和断裂韧性)和固化反应动力学。实验结果表明,杂化树脂的机械性能随HTME-2含量的增加先提高后降低。当HTME-2质量分数为9%时,杂化树脂的冲击强度和断裂韧性分别达到48.25kJ/m2和3.12kPa.m1/2,比纯DGEBA分别提高了177%和53.7%,而且拉伸强度和弯曲强度也有不同程度的提高。利用示差扫描量热仪测试杂化树脂的固化反应过程,通过Coats-Redfern模型确定了固化反应动力学参数,结果显示,HTME-2的加入使杂化树脂的固化反应级数、反应活化能和反应热下降。     

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.     

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.     

Nanosize Catalysis Nanoscale Moleculars Structures

The catalytic system is investigated in a computer chromatography. The sorbent represents the nanostructure composite with hardpolymer electrolyt. As the nanostructure polymeric system, it used dendrimer who are absorbed on a surface with formation of monolayer. In chromatography column watch dimensional effect. The size of a particle carries out a role of temperature. In the article, investigate solvatation and dimensional effect reaction self-assembling gas dimmers. Distance critical radius H＋ transfer define equation： rcr = 2rs. Reaction accompaniment transfer energy. Transfer energy realize on exchange-resonanse mechanism.     

书本装订用双组分聚氨酯胶粘剂的合成与性能

以蓖麻油、甘油、甲苯二异氰酸酯(TDI)、三羟基聚氧化丙烯醚(330N)、三羟甲基丙烷(TMP)等为主要原料,采用本体聚合法,分别合成了无溶剂双组分聚氨酯胶粘剂的主剂(A)和固化剂(B)。考察了预聚时间、TMP用量、催化剂用量、R值(n(—NCO)/n(—OH))对预聚体及胶膜性能的影响,并对胶膜进行耐温性、耐溶剂性等测试。结果表明:主剂预聚时间为1.5～2h,固化剂预聚时间为2h,二月桂酸二丁基锡(DBTDL)质量分数0.3%,三乙烯二胺(DABCO)质量分数0.05%,TMP用量6.95%时,可得到状态稳定的预聚体,当R为1.1时,两组分复配所得胶膜表干时间为27min,硬度为77,拉伸强度达5.96MPa,耐温性和耐溶剂性良好。     

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.     

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.     

A New Modification Michaelis-Arbuzov,Allen, Milobendzky-Shulgin,Michaelis-Becker and Raymond Reactions with Organic Compounds Arsenic,Antimony and Bismuth

In this work study, we investigated possibility of modifying the new Michaelis Allen, Milobendzky-Shulgin, Michaelis-Becker, Raymond reactions with organic compounds of arsenic, antimony and bismuth is discovered. A new mechanism for possible reactions has been proposed.     

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.     

The Conditions for Se-Enzymes,NO, cGMP and LDL to be Formed and How They are Connected with Each Other

Transportation of energy and substances is fundamental for the conditions of life. The energy from metabolised food is yielded at the reduction of oxygen by the assistance of Se-enzymes. Activated Se-enzymes contain an electron conducting Se-link with elemental Se bounded to Se-cys （Se-cystein） that prevents electron transferring （autoxidable） agents, as arginine, from oxidations. NO is formed from e.g. arginine during the passive state of a Se-enzyme. With NO, instead of O2, bounded to a hem group, destroying oxidations are avoided. This is the role of NO. A nerve signal is activated by the GTP （guanosine triphosphate）-induced triggered transformation of cGMP （cyclic guanosine monophosphate） into GMP, closing the sodium channels. When GTP is consumed, the opposite reaction takes place. The direct influence of the GMP/cGMP quote on a nerve signal makes GMP/cGMP equal to EDHF （endothelium-derived hyperpolarizing factor）. Part of the energy from food is stored and transported in the form of acetyl groups, building up many important molecules of which LDL （low density lipoprotein） is one, containing cholesteryl esters. These are brought in to the cell, decomposed to acetyl groups generating hydrogen, H, making LDL to an essential substance. High levels are connected to impaired energy yielding reactions, perhaps related to low levels of some substances, especially to one or both forms of Se. The necessity of a Se-link and NO induced protection against oxidations by reducible oxygen can no longer be neglected.     

New Modifications Bart,Bdchamp, Mayer,Rosenmund, Scheller,Sherlyn-Braz Reactions with Halides of Arsenic,Antimony and Bismuth

It was discovered a new approach modification Bart, Beschamp, Mayer, Rosenmund, Scheller, Sherlyn-Braz reactions with of arsine, stibine and bismuthine in organometallic chemistry. The authors have proposed a new mechanism for possible reactions.     

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.     

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.     

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.     

Synthesis and Characterization of Trithiocarbonate-Organoclays Nanohybrids and Their Interaction with MCF-7 Cancer Cells

This work presents a new approach for the fabrication of organic/inorganic nanohybrids as anticancer drugs by an intercalation method using S,S-bis（α,α′-dimethyl-α″-acetic acid） （trithiocarbonate） as a modifier and two organoclays, such as reactive octadecylamine/MMT （montmorillonite） and non-reactive dimethyldidodecyl ammonium/MMT. The chemical and physical structures and the surface morphology of these covalently and non-covalently linked nanohybrids were investigated by FT-IR （Fourier translbrm infrared） spectroscopy, ^13C and ^29Si solid state NMR （nuclear magnetic resonance） spectroscopy, XRD （X-ray powder diffraction） and SEM （scanning electron microscopy） analyses, respectively. To evaluate the anticancer activities of the novel BATC/organoclay hybrids against MCF-7 breast cancer cells, a combination of different biochemical and biophysical testing techniques were used. Cell proliferation and cytotoxicity were detected in vitro using a real-time analysis. Cell death was confirmed by using apoptotic and necrotic analyses, the effects of which were detennined by the double staining and Annexin-V-FLUOS testing method. The results demonstrate that intercalated hybrid complexes containing a combination of various anticancer sites, such as free and complexed carboxyl, trithiocarbonate, amine and ammonium cations significantly induced cell death in breast cancer via their interactions with the DNA macromolecules of cancer cells by destroying the self-assemb｜ed structure of growing cells. Fabricated hybrid complexes may represent a new generation of effective and selective anticancer drug systems with a synthetic/natural origin for cancer chemotherapy.     

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.