The activity of 34 sulfonamide derivatives has been estimated by means of multiple linear regression (MLR), artificial neural network (ANN), simulated annealing (SA) and genetic algorithm (GA) techniques. These models were also utilized to select the most efficient subsets of descriptors in a cross-validation procedure for non-linear -log (IC50) prediction. The results obtained using GA-ANN were compared with MLR-MLR, MLR-ANN, SA-ANN and GA-ANN approaches. A high predictive ability was observed for the MLR-MLR, MLR-ANN, SA-ANN and MLR-GA models, with root mean sum square errors (RMSE) of 0.3958, 0.1006, 0.0359, 0.0326 and 0.0282 in gas phase and 0.2871, 0.0475, 0.0268, 0.0376 and 0.0097 in solvent, respectively (N=34). The results obtained using the GA-ANN method indicated that the activity of derivatives of sulfonamides depends on different parameters including DP03, BID, AAC, RDF035v, JGI9, TIE, R7e+, BELM6 descriptors in gas phase and Mor 32u, ESpm03d, RDF070v, ATS8m, MATS2e and R4p, L1u and R3m in solvent. In conclusion, the comparison of the quality of the ANN with different MLR models showed that ANN has a better predictive ability.

Mt. Jiri located in the southwestern part of Korea is a treasure trove of wild medicinal plants. More than 1200 species currently classified as herbs are grown or cultivated in the area. Recently, safflower has attracted interest because of its ability to control fine wrinkle formation on the neck. The objective of this study therefore was to determine whether the active ingredient of safflower could be used in the form of an extract to reduce wrinkle formation in individuals aged 30 to 59 years. In particular, this study was aimed at determining the extract’s elastase activity and anti-oxidant effect by using DPPH assay in vitro and evaluating the anti-wrinkle efficacy of different types of safflower extracts in improving fine wrinkles on the neck. This study will provide a basis for future studies to develop safflower extracts using advanced composition technology and contribute to the development of the herbal cosmetics industry.

안정된 구조로 알려진 산화구리 클러스터(Cu_nO_n, n = 1 - 8)를 이용하여 구리 원자를 규소 원자로 치환하여 Cu_mSiO_m+1 (m = 0 - 7)의 안정된 구조를 최적화하였다. B3LYP/LANL2DZ의 이론수준에서 계산하였으며 중성과 하전된 안정된 구조를 계산하였다. 구리원자를 규소 원자로 치환으로 인한 구조적 변화를 위해 결합길이, 결합각, 그리고 Mulliken 전하를 계산하였다. 클러스터의 상대적 안정성을 구하기 위해 second differences in energy를 계산하였고 전기적 특성을 연구하기 위해 이온화 에너지와 전자친화도 계산을 수행하였다.

An improved protocol on the synthesis of thiazolo[3,2-a]pyrimidine-6-carboxylate derivatives are reported. Previously, the thiazolo[3,2-a]pyrimidine-6-carboxylate derivatives were prepared in a two-step procedure. Under the improved procedure, the thiazolo[3,2-a]pyrimidine-6-carboxylate derivatives was readily prepared in a one-step reaction. This procedure was found to be more efficient than the previous protocol and also compared to the ultrasound bath and conventional heating methods in terms of yield and reaction time.

This paper describes the synthesis of alkali metal salts of urea (ureates) and their application to the direct preparation of 4-nitrosoaniline from nitrobenzene via nucleophilic aromatic substitution of hydrogen. Sodium and potassium ureates were readily prepared from the reaction of urea with sodium hydride, metal methoxides, and metal hydroxides. The effect of ureates as nucleophiles on the conversion of nitrobenzene to 4-nitrosoaniline was investigated and compared with that of a urea-metal hydroxide mixture. It was found that the ureates were superior for producing 4-nitrosoaniline owing to their higher thermal stability of the ureate. The ureate obtained from the treatment of urea with sodium hydride gave the highest yield for the preparation of 4-nitrosoaniline. The ureates generated from the reaction of urea with metal hydroxide also gave high yields of 4-nitrosoaniline. Catalytic hydrogenation of 4-nitrosoaniline afforded polymer-grade 1,4-benzenediamine in quantitative yield.

A new perfluorobutyl substituted cyclic type disodium alkanesulfonate is designed, synthesized and characterized as alternative substance to perfluorooctane sulfonic acid (PFOS, 1), a well-known surfactant. Cylic type sulfonate was accomplished from commercially available 2,2,3,3,4,4,5,5-octafluoro-1,6-hexanediol in four steps. Bio-degradable perfluorobutyl moiety was introduced from fluorous diol, which is symmetrically substituted amphiphile via installation of an intermediate trifluoromethanesulfonyl ester and easily manipulated by double displacement of triflate using potassium malonate and further reduction followed by nucleophilic ring opening are key reactions to get target disodium alkanesulfonate. The efficiency and simplicity in the synthesis of this material offer a new strategy to design PFOS alternatives.

The major physical characteristics of macromolecules used in silicone hydrogel ophthalmic lenses include optical transmittance, oxygen permeability, water content, and refractive index. For the preparation of highly functional silicone hydrogel lens materials, two silicone monomers were used in the presence of 2-hydroxyethyl methacrylate (HEMA) and hydroxypropyl methacrylate (HPMA). The samples containing HEMA and HPMA had oxygen transmissibility (Dk) values in the range of 73.38–50.98 × 10^-11 (cm²/s) (mLO₂/mL×mmHg) and 71.94–42.80 × 10^-11 (cm²/s) (mLO₂/mL×mmHg), respectively. Furthermore, the water contents of samples containing HEMA and HPMA were in the range of 32.73–34.67% and 31.94–33.74%, respectively, and the refractive indices were in the range of 1.4348–1.4364 and 1.4385–1.4407, respectively. Thus, silicone monomers containing HEMA and HPMA are expected to be useful for fabricating high-oxygen-permeability silicon hydrogel ophthalmic lenses.

일반적으로 실험은 과학의 꽃으로 인식되고 있고 학교 과학에서도 중요한 위치를 차지한다. 과학자들은 확증이든, 입증이든, 사고실험이든, 어떤 형태든 실험이라는 형태를 거친다. 과학교육의 주요 목표 중 하나는 탐구능력을 향상키는 것이다. 이에 학생들에게도 실험을 하도록 하는 것은 당연한 것으로 여겨진다. 그러나 학교 실험이 과학을 이해하고 학습하는데 있어서 과연 무엇이며 어떤 역할을 하는지에 대한 의견과 논의는 항상 긍정적이지만은 않다. 또한, 학교 과학 실험의 이론적 당위성이 자리 잡고 있다고 하더라도 실제 과학자들이 수행하는 실험과는 간극이 존재한다. 이 연구에서는 학교 과학 실험과 도구의 의미를 탐색하였다. 또한 하나의 사례로 중학교 과학 교과서와 고등학교 화학 교과서에 수록되어 있는 화학관련 탐구 실험의 유형 및 도구 사용 수준을 분석하여, 학교 과학 탐구에서 실험과 도구의 의미를 재조명하고자 하였다.

이 연구는 논의 기반 일반화학 실험과정에서 나타나는 예비과학교사들의 모델링 능력 및 이의 변화과정을 알아보는 것을 목적으로 하였다. 이를 위해 일반화학을 수강하는 사범대학 1학년 학생 21명을 대상으로 6개 주제에 대한 논의 기반 일반화학 실험 수업을 진행하였으며, 예비과학교사의 모델링 능력을 알아보기 위해 논의 기반 일반화학 실험에서 작성하는 보고서의 모델링 단계를 분석하였다. 그 결과 모델의 요소에 대한 이해를 바탕으로 자신만의 모델링 전략을 가지고 있는 학생이 제시하는 모델의 수준이 높게 나타났으며, 논의 기반 일반화학 실험활동이 거듭되면서 모델링 능력이 향상되는 것으로 나타났다.