The geometry structures of hexa-coordinated [NiLX]X complexes ($X=Cl^-,\;Br^-,\;I^-$) {L = 8,9,18,19-tetrahydro-7H,17H-dibenzo[f,o] [1,5,9,13]dioxadiaza cyclohexadecine-8,18-diol} are optimized by density functional theory (DFT) using B3LYP/LANL2DZ. The calculated geometric parameters are in good agreement with the corresponding experimental values. Calculation results about these complexes show that dipole moment decreases, and the energy levels of HOMOs descend from iodo-complex to chloro-complex. The energy levels of HOMOs descend gently from iodo-complex to chloro-complex, while the energy levels of LUMOs in the present complexes are almost similar; therefore the energy gapes between HOMOs and LUMOs increased from iodo-complex to chloro-complex.

Electrocoagulation (EC) technique is applied for the treatment of wastewater containing heavy metals ions such as nickle (Ni), lead (Pb) and cadmium (Cd) by using sacrificial anodes corrode to release active coagulant flocs usually aluminium or iron cations into the solution. During electrolytic reactions hydrogen gas evolve at the cathode. All the experiments were carried out in Batch mode. The tank was filled with synthetic wastewater containing heavy metals and efficiency of electro-coagulation in combination with aluminum and iron electrodes were investigated for removal of such metals. Several parameters, such as contact time, pH, electro-coagulant concentration, and current density were optimized to achieve maximum removal efficiency (%). The concentrations of heavy metals were determined by using Atomic Absorption Spectroscopy (AAS). It is found that the electro-coagulation process has potential to be utilized for the cost-effective removal of heavy metals from wastewater specially using iron electrodes in terms of high removal efficiencies and operating cost.

Copper iodide was employed as a modifier for preparation of a new carbon ceramic electrode. For the first time, the catalytic oxidation of amoxicillin (AMX) was demonstrated by cyclic voltammetry, chronoamperometry and amperometry methods at the surface of this modified carbon ceramic electrode. The copper iodide modified sol-gel derived carbon ceramic (CIM-SGD-CC) electrode has very high catalytic ability for electrooxidation of amoxicillin. The catalytic oxidation peak current was linearly dependent on the amoxicillin concentration and the linearity range obtained was 100 to 1000 ${\mu}mol\;L^{-1}$ with a detection limit of 0.53 ${\mu}mol\;L^{-1}$. The diffusion coefficient ($D=(1.67{\pm}0.102){\times}10^{-3}\;cm^2\;s^{-1}$), and the kinetic parameter such as the electron transfer coefficient (${\alpha}$) and exchange current density ($j_0$) for the modified electrode were calculated. The advantages of the modified CCE are its good stability and reproducibility of surface renewal by simple polishing, excellent catalytic activity and simplicity of preparation.

솔잎조직과 ferrocene을 각각 효소원 및 매개체로, CSM 고무를 흑연가루 결합재로 사용하여 전류법 과산화수소 정량 효소전극을 제작하고, 그것의 특성을 전기화학적인 방법으로 관찰하였다. 낮은 퍼텐샬 영역(-100 ~ -500 mV)에서 보여준 ln($i(1-e^{nf{\eta}})$) vs. ${\eta}$ 및 Lineweaver-Burk 도시의 좋은 직선성은 신호전류의 생성이 효소의 촉매작용에 의한 것임을 확인하여 주었다. 이 때 얻어진 대칭인자(${\alpha}$, 0.17), 한계전류($i_1$, 1.99 $A/cm^2$), 교환전류밀도($i_0$, $5.86{\times}10^{-5}\;A/cm^2$), 마이클 상수($K_M$, $1.68{\times}10^{-3}$ M) 및 기타 전극 파라메터들은 전극 표면에서 소나무 과산화효소가 정량적으로 성능을 발휘하고 있음을 보여 주었다. 이런 실험적 사실들은 솔잎조직이 상업용 과산화효소를 대치하여 실용 효소전극 제작에 사용될 수 있음을 보여 주었다.

폴리에틸렌글리콜(PEGs)과 수산화칼륨(KOH)을 이용하여 서로 다른 온도와 시간의 반응조건에 따라 PBDEs의 화학반응을 수행하였다. PBDEs의 제거효율은 화학반응 전과 후의 농도의 차이로 측정하였다. PBDEs는 25와 $50^{\circ}C$의 낮은 온도에서는 제거되지 않았다. 하지만 온도를 증가시킴에 따라, 바이페닐기에 붙어있는 5-6개의 브롬이 치환되어 있는 PBDEs의 완전제거를 보이면서 ${\sigma}$-xylene에 있는 PBDEs의 제거효율은 점차적으로 증가하였다. 반응조건을 4시간과 $150^{\circ}C$까지 증가시켰을 때 PBDEs의 제거효율은 거의 100%에 도달하였다. 이와 같이 PEGs와 PBDEs의 화학반응 연구를 통해, PBDEs가 PEGs에 의해 브롬이 순차적으로 제거되는 진행에 의해서 탈브롬화 된다는 것을 확인할 수 있었다.

Zn(II), Cd(II) and Hg(II) complexes with a general composition[$M(L)_2(X)_2$], where L=4-aminopyridine (4AP) and $X=NO_2{^-}$ were prepared under microwave irradiation. The metal complexes were characterized by elemental analyses, molar conductance, IR, Far-IR, electronic, NMR ($^1H$, $^{13}C$), XPS spectral and thermal studies. The spectroscopic studies reveal the composition, different modes of bonding, electronic transition, different chemical environment of C and H atoms and the electronic state of the metal atoms. On the basis of the characterization data, tetrahedral geometry is suggested for all the complexes. The free ligand (4-aminopyridine) and their metal complexes were screened against phytopathogenic fungi and bacteria in vitro and the activities were compared.

In this work, a new cadmium complex $[Cd(L)(CH_3COO)_2].2H_2O$ (1) with the ligand L, N,N'-bis(2-pyridinecarboxalidene)-1,2-cyclohexanediamine was prepared and identified by elemental analysis, FT-IR, Raman, $^1H$ NMR spectroscopy and single-crystal X-ray diffraction. The cadmium atom in the crystal structure of 1 has distorted triangular dodecahedral geometry by coordination of the four nitrogen atoms of L and four oxygen atoms of the two acetate ions. Two water molecules are also incorporated in the crystal network. The $O-H{\cdots}O$ hydrogen bonds present in the crystal structure of 1. In this work, three structural surveys including coordination numbers of the cadmium atom, coordination modes of L and resonance in pyridine-2-ylmethanimine-based compounds are presented.

Sustainable development is a balance between environment and development. Sustainable development requires sustainable supplies of clean, affordable, and renewable energy sources that do not cause negative impact to the society. This article introduces a green chemistry method to synthesize 2-amino-4H-chromenes that reduces or eliminates the use and generation of hazardous substances in the design, manufacture, and application of chemical products. This method is described using copper (II) sulfate pentahydrate, as a green and reusable catalyst on water. The products were obtained at very good yields, short reaction time, and at lower cost than other reported procedures.

A modified synthetic approach to the synthesis of heterocyclic food mutagens, 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PHIP) and 2-amino-1,6-dimethylimidazo[4,5-b]pyridine (DMIP) is reported. This route highlights an optimized palladium catalysed Buchwald cross-coupling of 2-halo-1-methyl-imidazo[4,5-b]pyridine with benzophenoneimine followed by acidic hydrolysis to yield compound 7. Using finely tailored conditions, Suzuki cross-coupling reactions with highly efficient catalytic systems were performed as the final step on 8 to introduce the aryl group and methyl group on the heterocyclic core.

With the wide application of ASP (alkaline-surfactant-polymer) flooding, the scaling becomes more and more serious, which is harmful to the oilfield and environment. In order to investigate the effects of HPAM on calcium carbonate crystallization, the crystallization behaviors of $CaCO_3$ in HPAM (Hydrolyzed polyacrylamide) solutions were studied and the composition and morphology of $CaCO_3$ crystal were investigated in different concentrations of polyacrylamide solutions. The crystal forms and morphologies of $CaCO_3$ were characterized by Fourier transform infrared spectroscopy, X-ray diffraction and scanning electron microscopy. The results show that the crystallization of $CaCO_3$ is strongly influenced by the HPAM. The paper analyzed the internal cause, and the results show: The reasons leading to the change of morphology are carboxyl groups in polyacrylamide molecule and $Ca^{2+}$ in solution form chelates by coordination bond. And the chelates are adsorbed on the calcium hydroxide surfaces of solid-liquid interfaces so as to change the formation rate of calcium carbonate crystal nucleus. The research provides a reliable basis for the mechanism research of the scaling problem in the oil extraction process of ASP flooding and the adoption of scale inhibition and scale inhibitor.

A back propagation artificial neural network model with one hidden layer is established to correlate the liquid-liquid equilibrium data of hydrocarbon-water systems. The model has four inputs and two outputs. The network is systematically trained with 48 data points in the range of 283.15 to 405.37K. Statistical analyses show that the optimised neural network model can yield excellent agreement with experimental data(the average absolute deviations equal to 0.037% and 0.0012% for the correlated mole fractions of hydrocarbon in two coexisting liquid phases respectively). The comparison in terms of average absolute deviation between the correlated mole fractions for each binary system and literature results indicates that the artificial neural network model gives far better results. This study also shows that artificial neural network model could be developed for the phase equilibria for a family of hydrocarbon-water binaries.

Thevetia peruviana (Yellow Oleander) seed oil was extracted with n-hexane in a soxhlet extractor. The ethanolysis and methanolysis of the oil were carried out with 50% of potassium hydroxide in ethanol and methanol respectively by weight of oil, as catalyst. The biodiesel was tested for biodegradability using E. coli. The percentage yield of the FAEE and FAME were 84.8% and 91.6% respectively. The biodegradability values of 81.4% and 86.2% were obtained for FAEE and FAME respectively after a period of 28 days. Other fuel quality parameters determined are the cetane index of 47.19 (FAEE) and 58.97 (FAME), flash point of $198^{\circ}C$ (FAEE) and $175^{\circ}C$ (FAME), kinematic viscosity at $40^{\circ}C$ of 5.21 $mm^2s^{-1}$ (FAEE) and 5.10 $mm^2s^{-1}$(FAME), pour point of $4^{\circ}C$ (FAEE) and $-2^{\circ}C$ (FAME) and a cloud point of $6^{\circ}C$ (FAEE) and $3^{\circ}C$ (FAME). Thus, Thevetia peruviana oil has a high potential for use in production of environmentally friendly biodiesel.

The present paper focuses on the synthesis, characterization and application of nanophotocatalyst for degradation of quinalphos and monocrotophos. Novel heterostructured ZnO/$TiO_2$ photocatalyst ($Z_9T$) was prepared and characterized with X-ray diffraction (XRD), SEM and UV-vis diffuses reflectance spectroscopy. The average crystalline size of synthesized $Z_9T$ was found to be 21.48 nm. The pesticides were degraded in the presence of nanophotocatalysts i.e., $TiO_2$, ZnO, $TiO_2$/ZnO mixed in various proportions and heterostructured nanophotocatalyst synthesized by Sol-Gel method. The batch experiments were performed by adding photocatalyst to 100 ml of pesticide solution and suspension was subjected to irradiation under UV light. In case of mixed catalyst, the maximum degradation of monocrotophos and quinalphos has been observed when ZnO and $TiO_2$ were in the ratio of 7:3 and 8:2 respectively. The degradation efficiency with synthesized heterostructured nanophotocatalyst ($Z_9T$) was found to be comparable with $TiO_2$.

이 연구에서는 과학 수업에 적용한 STAD 협동학습 전략이 초등학교 학생들의 학업성취도, 학습 동기, 학습 환경에 대한 인식, 수업 목표 구조에 대한 인식에 미치는 영향을 학생들의 집단주의 성향 수준에 따라 조사하였다. 1개 초등학교의 6학년 2개 학급 64명의 학생들을 처치 집단과 통제 집단으로 할당했다. 사전 검사로 개인-집단주의 성향 검사, 학습 동기 검사, 학습 환경에 대한 인식 검사, 수업 목표 구조에 대한 인식 검사를 실시하였다. 협동학습 처치는 24차시 동안 실시하였다. 사후 검사로 학업성취도, 학습 동기, 학습 환경에 대한 인식, 수업 목표 구조에 대한 인식 검사를 실시하였다. 연구 결과, 학업성취도에서 처치 집단 학생들의 점수가 통제 집단에 비해 유의미하게 높았다. 학습 동기에서는 주의력 하위 범주에서 유의미한 적성-처치 상호작용 효과가 발견되었다. 학습 환경에 대한 인식의 경우, 응집성 범주에서는 처치 집단의 점수가 통제 집단에 비해 유의미하게 높았지만, 경쟁도 범주에서는 처치 집단의 점수가 유의미하게 낮았다. 수행 지향 목표 구조에 대한 인식에서는 처치 집단의 점수가 통제 집단에 비해 유의미하게 높았다.

본 연구에서는 2007 개정 교육과정에 따른 중학교 과학 교과서의 화학 영역에 사용된 비유를 수집하여 빈도를 분석하고 유형에 따라 분류하였다. 분석한 27권의 교과서에 사용된 비유는 총 235개로서, 교과서 10쪽마다 평균 1개의 비유가 사용되었다. 비유 사용 빈도는 교과서의 종류나 단원의 내용에 따라 차이가 있었다. 유형별로 비유를 분석한 결과, 기능적 속성을 공유한 비유, 언어와 그림으로 모두 제시된 비유, 추상적인 목표물을 구체적인 비유물에 대응시킨 비유, 부연 비유, 일상 비유, 학생 중심의 비유와 체계성이 낮은 비유가 많았으며, 반대로 교과서 본문에 비유라는 단어를 사용하거나 비유물의 제한점을 언급하는 경우는 적었다. 제7차 교육과정의 중학교 과학 교과서와 비교했을 때, 비유의 사용 빈도는 증가하였고, 표현 방식, 대응 정도, 작위성 측면에서 긍정적인 변화가 있었다. 그러나 나머지 유형 기준에서는 차이가 없었다.