Multiple regression analysis was used for the calculation of pKa values of 15 substituted benzaldoximes by using various types of descriptors as parameters. These descriptors are based on quantum mechanical treatments. They were derived by employing semi-empirical calculation represented by the PM3 model and an Abinitio method expressed by Hartree-Fock(HF) model performed at the 6-311 G(d, p) level of theory. The parameters tested for their ability to represent the variations observed in the experimental pKa(s) are atomic and structural properties including Muliken charges on the atoms of hydroxyl group and C=N bond, the angle $C_6-C_1-C_7$, and length of O-H bond. Molecular properties are also used like energies of HOMO and LUMO, hardness(${\eta}$), chemical potential(${\mu}$), total energy(TE), dipole of molecule(DM), and electrophilicity index(W). The relation between pKa values and each of these parameters of the studied compounds is investigated. Depending on these relations, two sets of parameters were constructed for comparison between the PM3 and HF methods. The results obtained favor the Abinitio method for such applications although both models proved to have high predictive power and have sufficient reliability to describe the effect of substituents on pKa values of benzaldoxime compounds under consideration which is clear from the values of correlation coefficient $R^2$ obtained and the consistency between the experimental and the calculated values.

Well-resolved vibronic emission spectra were recorded in the visible region from the corona discharge of precursor alkylbenzenes in a technique of corona excited supersonic expansion using a pinhole-type glass nozzle. From the observed spectra, we found the evidence of the presence of benzyl-type radicals generated by dissociation of C-C or C-H bonds of alkyl group. After identification of benzyl-type radicals formed in the corona discharge, we suggest that energy densities in alkyl chain play a crucial role in determining the bond dissociation during corona excitation.

Fluorescence correlation spectroscopy (FCS) is an emerging fluorescence technique used to study the dynamics of proteins on a millisecond to microsecond time scale at the single-molecule level. Solution pH-modulated protein conformational changes can be manifested by binding rate, fluorescence lifetime, and binding specificity of a probe molecule. The fluorescence lifetime of Nile red (NR) bound to apomyoglobin (apoMb) was measured to be $6{\pm}0.3$ ns, much longer than that in water solution ($2.9{\pm}0.2$ ns). As the unfolding population of apoMb increased by lowering pH of solution, the fraction for the longer lifetime of NR decreased with an increasing fraction for the shorter lifetime of NR in water. Unlike 1-anilino-8-naphthalene sulfonic acid, which has many lifetimes due to nonspecific binding to the unfolded apoMb, NR bound to apoMb possesses only a single lifetime. These results suggest that NR binds specifically to native apoMb and thus can be utilized to probe the folding/unfolding dynamics of apoMb using FCS.

A doubly tethered chiral stationary phase (CSP) based on (+)-(18-crown-6)-2,3,11,12-tetracarboxylic acid was applied to the resolution of various aryl ${\alpha}$-aminoalkyl ketones with the use of 80% ethanol in water containing 10 mM sulfuric acid as a mobile phase. The chiral resolution was quite successful, the separation factors (${\alpha}$) and the resolutions ($R_S$) being in the range of 1.39-2.05 and 3.18-5.22, respectively. The separation factors (${\alpha}$) on the doubly tethered CSP were slightly worse than those on the corresponding singly tethered CSP. However, the resolutions ($R_S$) on the doubly tethered CSP were generally greater than those on the corresponding singly tethered CSP. The chromatographic behaviors for the resolution of aryl ${\alpha}$-aminoalkyl ketones on the doubly tethered CSP were demonstrated to be dependent on the type and the content of the organic and acidic modifiers in aqueous mobile phase and the column temperature.

In this paper, chloracetyl chitosan (CACTS) was prepared at first. In the molecules of CACTS, there are active chlorine groups, which can take part in other reactions. Thus, number of chitosan derivatives will be obtained after chlorine is substituted. Choosing pyridine as the active group, a novel water-soluble chitosan derivative, (2-pyridyl)-acetyl chitosan (PACTS) was obtained and its antioxidant activity against hydroxyl radicals and superoxide radicals was assessed. The results indicated that PACTS had better antioxidant activity than that of chitosan, carboxymethyl chitosan (CMCTS), hydroxypropyl chitosan (HPCTS), and Vitamin C. And the $IC_{50}$ values against hydroxyl radicals and superoxide radicals were 0.31 mg/mL and 0.21 mg/mL, respectively.

A new series of 1-(5-(2-tolyloxyquinoline-3-yl)-2-(pyridine-4-yl)-1,3,4-oxidiazol-3(2H)-yl)ethanones were synthesized from cyclisation of N'-((2-(p-tolyloxy)quinoline-3-yl)methylene) isonitonohydrazide in acetic unhydride at reflux condition for 3-4 hr. The structures of the new compounds were confirmed by elemental analyses as well as IR, 1H NMR and mass spectral data. All the synthesized compounds were screened for their antibacterial activities against various bacterial strains. Several of these compounds showed potential antibacterial activity.

Novel analogs of bortezomib were designed, synthesized and in vitro biological evaluation was carried out using human tumor cell lines A549 and PC3. Docking studies of these analogs of bortezomib was discussed. According to biological investigations, the inhibitors 4, 6, and 8 were found to be more potent than reference drug candidate bortezomib. A549 cell line showed significant sensitivity towards 4, 6, and 8 with $IC_{50}$ values 14.03, 18.5, and 12.4 nM, respectively, and PC3 cell line showed IC50 values 26.1, 37.0, and 21.2 nM, respectively. The $IC_{50}$ values of bortezomib in these cell lines are 27.3 nM and 42.0 nM.

A mild and efficient procedure for the synthesis of various 1,5-benzothiazepines were developed. This method provides an easy access for preparation of 1,5-benzothiazepine derivatives in the presence of 10 mol% catalyst of CAN under ultrasonic irradiation. This method provided clean conversion, mild reaction condition, no use of toxic solvent and shorter reaction time compared to other reported method.

An easy and efficient route for the synthesis of some imidazo[1,2-c]pyrazolo[4,3-e]pyrimidines 3-6, imidazo[1,2-c]pyrazolo[4,3-e]triazine 8, pyrazolo[4,3-e]triazolo[1,5-c]pyrimidines 12-15 and pyrazolo-[3',4':4,5]pyrimido[1,6-b]triazines 16, 17 was described through the reaction of readily available 5-aminopyrazole-4-carbonitrile 1 with different reagents. The in vitro antimicrobial activity of some synthesized compounds was examined. Most of the tested compounds proved to be active as antibacterial and antifungal agents.

An efficient three-component one-step synthesis of 2,4,5-trisubstituted imidazoles by condensation reaction of 1,2-diketones or ${\alpha}$-hydroxyketones with aromatic aldehydes and ammonium acetate using Zinc (II) [tetra (4-methylphenyl)] porphyrin as a novel and reusable catalyst under ultrasound irradiation at ambient temperature is described. In this method, ${\alpha}$-hydroxyketones as well as 1,2-diketones were converted to their corresponding 2,4,5-trisubstituted imidazoles in excellent yields.

3-Chloro-1-benzothiophene-2-carbonylchloride (1) was allowed to react with glycine to give 3-chloro-1-benzothiophen-2-yl-carbonylaminoacetic acid (2). Various aldehydes were treated with compound (2) in acetic anhydride to get 1,3-oxazol-5-ones (3a-d). These oxazolones were treated with aromatic amines or hydrazides to get various imidazol-4-ones (4a-h or 5al) separately. Oxazolones was also treated with aromatic hydrazine, through which expansion of five membered oxazole ring to six member triazine ring occurs to yield 1,2,4-triazin-6-ones (6a-h). The structures of all the synthesized compounds were confirmed by spectral data and were screened for antibacterial and antifungal activities.

The synthesis of different derivatives of isoxazolo[5,4-b]quinoline by the cyclization reaction of various substituted oximes of quinoline using mild base at ambient temperature. The formation of isoxazolo[5,4-b]quinoline, as a consequence of cheaper and more readily available $K_2CO_3$ and DMF participating in the reaction, is documented.

A new catalytic system has been developed in the synthesis of 2-amino-5-nitro-4,6-diarylcyclohex-1-ene-1,3,3-tricarbonitriles using carbonate on polymer support (Amberlyst A-26 $NaCO_3{^-}$). Short reaction time, simplicity of isolation, safe catalyst and high yields of product are the features.

[ $V_{0.9}Sb_{0.1}O_x$ ]systems, bulk and deposited on different supports (five types of ${\gamma}$-aluminas, ${\alpha}$-alumina, silica-alumina, silica gel, magnesium oxide), have been tested in the oxidative dehydrogenation (ODH) of iso-butane. This statement is derived from the data obtained by a set of characterisation techniques(specific surface area measurements, X-ray diffraction, X-ray photoelectron spectroscopy, laser Raman spectroscopy, in situ differential scanning calorimetry and in situ diffuse reflectance-absorption infrared Fourier transform spectroscopy).

The relationship between the microstructure, mechanical properties, and oxidation behavior of pitch-, polyacrylonitrile (PAN)-, and Rayon-based carbon fibers (CFs) has been studied in detail. Three types of carbon fiber were exposed to isothermal oxidation in air and the weight change was measured by thermogravimetric analyzer (TGA) apparatus. After activation energy was gained according to the conversion at reacting temperature, the value of specific surface area and the surface morphology was compared, and the reaction mechanism of oxidation affecting development of pores of carbon fibers was examined. This study will lead to a new insight into the relationship between the microstructure and mechanical properties of carbon fibers.

In Fischer-Tropsch Synthesis, because of few reactants ($H_2$, CO), scarce operating parameters affected on efficiency especially the selectivity of products. In this research, effect of operating parameters on the selectivity of Co-Mn-$TiO_2$ Fischer-Tropsch synthesis catalyst were studied by design of experimental procedure and Taguchi method. According to this research, interactions between operating factors have a crucial effect on light products selectivity. Among these interactions, (temperature${\times}$feed ratio) has the main influence on light hydrocarbons selectivity. It was concluded that temperature and feed ratio ($H_2$/CO) were the most integral operating parameters for much greater selectivity of light hydrocarbons.

This paper is on the industrial synthesis process of anti-oxidant RD ((2,2,4-trimethyl-1,2-dihydroquinoline polymer $(C_{12}H_{15}N)_n$. n=2-4)).The content of dimer, trimer and tetramer of RD as the inspection targets, using the orthogonal design method - take the ratios of keto-amine, the reaction time, the reaction temperatures and the ratios of catalyst acid-amine as inspect factors - to optimized the reaction condition. The results indicate that the best ratio of keto-amine is 2:1, the time of salification and condensation is 3 hours and 7.5 hours. The range of temperature of salification and condensation is $135^{\circ}C$ and $120-125^{\circ}C$, and that the best ratio of acid-amine is 0.2: 1 (the proportion is the concentration ratio for mole). Under the optimization conditions, the yield of RD was stabilized and content of RD more than 45%.

Corrosion inhibition of mild steel by nevirapine, an antiretroviral has been investigated using potentiodynamic polarization, electrochemical impedance spectroscopy technique and weight loss methods. The experimental results suggested, nevirapine is a good corrosion inhibitor for mild steel in 1M hydrochloric acid medium and the inhibition efficiency increased with increase in inhibitor concentration. The kinetic parameters for corrosion process and thermodynamic parameters for adsorption process were calculated and discussed. The adsorption of the inhibitor on the surface of mild steel followed Langmuir adsorption isotherm.

Wet air oxidation (WAO) of oily sludge was carried out using $Fe^{3+}$ as catalyst, placed in a 0.5 L batch autoclave in the temperature range of $250-330^{\circ}C$. Experiments were conducted to investigate the effects of temperature, the initial COD, reaction time, concentration of catalyst and $O_2$ excess (OE) on the oxidation of the oily sludge. The results showed that in the WAO 88.4% COD was achieved after 9 min reaction at temperature of $330^{\circ}C$, OE of 0.8 and the initial COD of 20000 mg/L. Temperature was found to have a significant impact on the oxidation of oily sludge. Adding a catalyst significantly improved the COD removal. Homogenous catalyst, $Fe^{3+}$, showed effective removal for pollutants. COD removal was 99.7% in the catalytic wet air oxidation (CWAO) over $Fe^{3+}$ catalyst. The results proved that the CWAO was an effective pretreatment method for the oily sludge.

이 연구에서는 중학교 1학년 과학영재들의 비유 만들기의 각 단계에서 나타나는 심상적 사고의 특성을 심상적 정보처리 과정의 측면에서 분석하였다. 연구 결과, 과학영재들의 비유 만들기 과정에서 이미지 산출, 이미지 조작, 이미지 표현의 심상적 정보처리 과정이 나타났다. 또한, 과학영재들은 비유 만들기 과정에서 지각 심상, 기억 심상, 상상 심상의 세 가지 유형의 심상을 활용하는 것으로 나타났으며, 활용한 심상의 유형에 따라 심상적 정보처리 과정에 차이가 있었다. 이를 바탕으로 비유 만들기에서 활용한 심상의 유형에 따른 심상적 정보처리 모델을 제안하였다. 이 연구의 결과는 비유적 사고와 심상적 사고의 상호 작용을 강조함으로써 과학영재의 심상적 사고를 촉진할 수 있는 비유 만들기 전략의 효과적인 활용 방안을 마련하는데 유용한 시사점을 제공할 수 있을 것이다.

이 연구의 목적은 학문 통합적 비유를 활용한 창의적 문제해결력 지향 수업 전략을 개발하고 이 전략이 학생들의 창의적 사고력, 비판적 사고력, 창의적 인성, 학업적 자기 조절에 미치는 효과를 알아보는 것이다. 이를 위하여 기존의 창의적 문제 해결력 지향 탐구 수업 모형에 비유 활동의 PDCA 네 단계 모형을 활용한 '학문 통합적 비유를 활용한 창의적 문제 해결력 지향 탐구 수업 모형'을 개발하여 이 모형에 따라 구체적인 대학교 화학 실험 수업 전략을 개발하였다. 그리고 예비 과학 교사를 대상으로 개발한 수업 전략을 한 학기 동안 실시하였다. 그 결과 문제 인식 및 가설 설정, 가설 설정, 변인 통제 영역에서 창의적 사고력 하위 범주 중 독창성이 유의미하게 향상되었다. 또한, 문제 인식 및 가설 설정, 자료 해석 및 자료 변환의 영역에서 비판적 사고력이 향상된 것으로 나타났다. 또한, 학업적 자기 조절에 대해서는 확인된 조절과 통합된 조절에서 유의미한 차이를 나타냈다. 그러나 창의적 인성에 대해서는 모든 하위 영역에 대하여 유의미한 차이가 나타나지 않았다.

이 연구에서는 자연과학을 전공하는 대학생과 고등학교 과학교사를 대상으로 대학에서의 과학 학습에 영향을 주는 요인과 고등학교 과학교육 개선 방향에 대한 인식을 알아보았다. 대학생들은 전공별로 대학에서의 과학 학습에 주는 영향을 주는 요인에 대해 다른 양상을 보이는 것으로 나타났다. 물리학과의 경우에는 수학 능력과 논리적 사고력, 화학과와 생물학과의 경우에는 영어 능력과 기초 과학 지식이 대학에서 공부하는 데 큰 영향을 준다고 인식하는 경향이 있었다. 대학생과 과학 교사 두 집단 모두 기초 과학 지식과 수학 능력이 대학에서의 과학 학습에 크게 영향을 준다고 인식하는 것으로 나타났다. 대학에서의 성공적인 과학 학습을 위한 과학교육 개선 방안으로, 대학생들은 탐구 기회 확대, 과학교사들은 선택과목의 필수 이수 확대라고 각각 응답하여 두 집단 간 다른 양상을 나타내었다.