• Title/Summary/Keyword: Chemical structure analysis

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Crystal Structures and Thermal Properties of 2,6-Dinitrophenol Complexes with Lanthanide Series

  • Kim, Eun-Ju;Kim, Chong-Hyeak;Kim, Jae-Kyung;Yun, Sock-Sung
    • Bulletin of the Korean Chemical Society
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    • v.29 no.6
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    • pp.1157-1161
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    • 2008
  • 2,6-Dinitrophenol (2,6-DNP) complexes with lanthanide series including yttrium (except Pm, Tm, and Lu) have been synthesized and their crystal structures have been analyzed by X-ray diffraction methods. Singlecrystal X-ray structure determinations have been performed at 296 K on the Ce$\rightarrow$Yb species and shown them to be isomorphous, triclinic, P1, a = 8.6558(2)$\rightarrow$8.5605(3) $\AA$, b = 11.8813(3)$\rightarrow$11.6611(4) $\AA$, c = 13.9650(3) $\rightarrow$13.8341(5) $\AA$, $\alpha$ = 73.785(1)$\rightarrow$73.531(2)o, $\beta$ = 74.730(1)→74.903(2)${^{\circ}}$, $\gamma$ = 69.124(1)→ 69.670 $(2){^{\circ}}$, V = 1266.86(5)→1221.53(7) $$\AA^{3}$$, Z = 2. In Ln(III) complexes, three 2,6-DNP ligands coordinate directly to the metal ion in the bidentate fashion. The nine coordinated Ln(III) ion forms slightly distorted tri-capped trigonal prism. There are no water molecules in the crystal lattice. The dependences of metal to ligand bond lengths are discussed on the atomic number of lanthanide elements. The thermal properties of lanthanide complexes of 2,6- DNP have also studied by TG-DTG and DSC thermal analysis methods.

A Comparative Study on High School Chemistry Curriculum in Korea and Japan (한국과 일본의 고등학교 화학교육과정 비교연구)

  • Kong, Young-Tae;Lim, Jai-Hang;Moon, Sung-Bae;Nam, Jeong-Hee
    • Journal of the Korean Chemical Society
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    • v.48 no.1
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    • pp.66-76
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    • 2004
  • This study is to compare and analyse the high school chemistry curriculum in Korea and Japan from the viewpoint of the structure, objectives, contents, teaching-learning method, and assessment plans. From the comparative analysis, we found some common and different aspects. The suggestive ideas which is useful for study of Korean science curriculum were deduced, such as more expansion of selective subjects and enhancing the guidance, more flexible teaching methods, enhancing the individualized instruction plans suitable to each student's condition, careful selection of educational contents and enhancing the base and foundation, and transition period.

Spectroscopic and Electrochemical Detection of Thrombin/5'-SH or 3'-SH Aptamer Immobilized on (porous) Gold Substrates

  • Park, Buem-Jin;Sa, Young-Seung;Kim, Yong-Hwan;Kim, Young-Hun
    • Bulletin of the Korean Chemical Society
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    • v.33 no.1
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    • pp.100-104
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    • 2012
  • Thrombin is a serine protease that catalyzes the conversion of soluble fibrinogen to insoluble fibrin, and thus induces physiological and pathological blood coagulation. Therefore, it is important to detect thrombin in blood serum for purposes of diagnosis. To achieve this goal, it has been suggested that a 15-mer aptamer strongly binds with thrombin to form a G-quartet structure of the aptamer. Generally, 5'-end thiol-functionalized aptamer has been used as an anti-thrombin binder. Herein, we evaluate the possibility of utilizing a 3'-SH aptasensor for thrombin detection using SPR spectroscopy, and compare the enhancement of the electrochemical signal of the thrombin-aptamer bound on a porous gold substrate. Although the two aptamers have similar configurations, in SPR analysis, the 3'-SH aptamer was a effective aptasensor as well as 5'-SH aptamer. Results from electrochemical analysis showed that the porous gold substrate acted as a good substrate for an aptasensor and demonstrated 5-fold enhancement of current change, as compared to gold thin film.

Preparation and Characteristics of Anti-Corrosive Coatings for Steel Structures using Polyaniline (폴리아닐린을 이용한 강 구조물용 방청도료의 제조 및 특성)

  • Kim, Tae-Ok;Kong, Seung-Dae;Park, Jin-U;Hahm, Hyun-Sik
    • Journal of the Korean Applied Science and Technology
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    • v.23 no.3
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    • pp.230-237
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    • 2006
  • Anti-corrosive coatings for steel structures with an alternative anti-corrosive pigment, polyaniline was prepared and anti-corrosive characteristics of the prepared coatings were investigated. The structure of the polyaniline was identified by using FT-IR, UV/Vis. and TGA analysis, and the anti-corrosive properties were analyzed from the results of the salt spray experiment. We found that the anti-corrosion properties of the prepared coatings varied in accordance with the types of primer coating resins as well as with the existence and nonexistence of the top coating. In this condition, the properties of adhesion, chemical resistance, and water resistance were found to be very satisfactory when using the single-packaged urethane resin as the primer coating resin and the urethane resin as the top coating resin.

Improvement of Solar Cell Efficiency by Modification of Cellulose Acetate Propionate for Ag paste (전극용 Ag Paste의 Cellulose Acetate Propionate(CAP) 개질에 따른 태양전지 효율 향상)

  • Kim, Dong Min;Lim, Jong Chan;Kim, Jin Hyun;Cha, Sang-Ho;Lee, Jong-Chan
    • Korean Journal of Materials Research
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    • v.28 no.4
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    • pp.227-234
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    • 2018
  • We investigate the effect of the modification of cellulose acetate propionate as an organic vehicle for silver paste on solar cell efficiency. For the modification of cellulose acetate propionate, poly(ethylene glycol) is introduced to the hydroxyl groups of a cellulose acetate propionate backbone via esterification reaction. The chemical structure and composition of poly(ethylene glycol) functionalized cellulose acetate propionate is characterized by Attenuated total reflectance Fourier transform infrared, $^1H$ nuclear magnetic resonance, differential scanning calorimetry and thermogravimetric analysis. Due to the effect of structural change for poly(ethylene glycol) functionalized cellulose acetate propionate on the viscosity of silver paste, the solar cell efficiency increases from 18.524 % to 18.652 %. In addition, when ethylene carbonate, which has a structure similar to poly(ethylene glycol), is introduced to cellulose acetate propionate via ring opening polymerization, we find that the efficiency of the solar cell increases from 18.524 % to 18.622 %.

Numerical prediction of stress and displacement of ageing concrete dam due to alkali-aggregate and thermal chemical reaction

  • Azizan, Nik Zainab Nik;Mandal, Angshuman;Majid, Taksiah A.;Maity, Damodar;Nazri, Fadzli Mohamed
    • Structural Engineering and Mechanics
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    • v.64 no.6
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    • pp.793-802
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    • 2017
  • The damage of concrete due to the expansion of alkali-aggregate reaction (AAR) and thermal-chemical reactions affecting the strength of concrete is studied. The empirical equations for the variations of expansion of AAR, compressive strength and degradation of the modulus of elasticity with time, and compressive strength with degradation of the modulus of elasticity are proposed by analysing numerous experimental data. It is revealed that the expansion of AAR and compressive strength increase with time. The proposed combination of the time variations of chemical and mechanical parameters provides a satisfactory prediction of the concrete strength. Seismic analysis of the aged Koyna dam is conceded for two different long-term experimental data of concrete incorporating the proposed AAR based properties. The responses of aged Koyna dam reveal that the crest displacement of the Koyna dam significantly increases with time while the contour plots show that major principal stress at neck level reduces with time. As the modulus of elasticity decreases with ages the stress generated in the concrete structure get reduces. On the other hand with lesser value of modulus of elasticity the structure becomes more flexible and the crest displacement becomes very high that cause the seismic safety of the dam reduce.

Synthesis and Characterization of Nickel(II) Tetraaza Macrocyclic Complex with 1,1-Cyclohexanediacetate Ligand

  • Lim, In-Taek;Kim, Chong-Hyeak;Choi, Ki-Young
    • Journal of the Korean Chemical Society
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    • v.62 no.6
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    • pp.427-432
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    • 2018
  • The reaction of [$[Ni(L)]Cl_2{\cdot}2H_2O$ (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo[$14,4,0^{1.18},0^{7.12}$]docosane) with 1,1-cyclohexanediacetic acid ($H_2cda$) yields mononuclear nickel(II) complex, [$Ni(L)(Hcda^-)_2$] (1). This complex has been characterized by X-ray crystallography, electronic absorption, cyclic voltammetry and thermogravimetric analyzer. The crystal structure of 1 exhibits a distorted octahedral geometry with four nitrogen atoms of the macrocycle and two 1,1-cyclohexanediacetate ligands. It crystallizes in the triclinic system P-1 with a = 11.3918(7), b = 12.6196(8), $c=12.8700(8){\AA}$, $V=1579.9(2){\AA}^3$, Z = 2. Electronic spectrum of 1 also reveals a high-spin octahedral environment. Cyclic voltammetry of 1 undergoes one wave of a one-electron transfer corresponding to $Ni^{II}/Ni^{III}$ process. TGA curve for 1 shows three-step weight loss. The electronic spectra, electrochemical and TGA behavior of the complex are significantly affected by the nature of the axial $Hcda^-$ ligand.

Structure-Activity Relationship. A Theoretical Study of 1-phenylpyrrolidine-2,5-diones on the Antifungal Activities (구조-활성 상관 관계 . 1-Phenylpyrrolidine-2,5-dione 유사체의 Antifungal Activity에 관한 이론적 연구)

  • Park, Seong Sik;Choi, Sang Tae;Kim, Sang Yun;Yoh, Soo Dong
    • Journal of the Korean Chemical Society
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    • v.40 no.12
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    • pp.711-718
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    • 1996
  • The relationship between chemical structure and antifungal activity of benzene ring substituents of 1-phenylpyrrolidine-2,5-diones is studied by testing of model compounds and use of conformational data. The analysis revealed a number of structural features as essential for the antifungal effect: (1) the presence of an intact-NCO group and benzene moiety; (2) the distance between para substituents and the N atom within the 5.318∼5.320 ${\AA}$ range; (3) the distance between substituent X3 and X5 in the interval 5.437∼6.072 ${\AA}$ for the active analogues. And other parameters were discussed.

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A Study on Chemical Structure of White Smoke Grenade by Aging (가속노화에 따른 백색 연막수류탄(M8)의 화학적 구조 변화에 관한 연구)

  • Park, Jang-Ho;Cho, Min-Su;Kim, Young-Dae;Lee, Byung-Teak;Chang, Il-Ho
    • Journal of the Korea Institute of Military Science and Technology
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    • v.14 no.6
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    • pp.1186-1191
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    • 2011
  • Composition which was used as a white smoke grenade consists of Aluminium(Al), Hexachloroethane(HCE) and Zinc Oxide(ZnO), etc. there is a possibility of misfire due to long term storage and there are very few reports on the mechanism behind misfire. In this study, an experimental method known as accelerated degradation testing is used to investigate the chemical mechanism resulting in misfire. The mechanism of chemical change during long term storage was analyzed with XRD and FT-IR. Analysis results suggest that a part of HCE consisting of the white smoke grenade disappeared and the other part was combined into $ZnCl_2$, $AlCl_3$, as a recycled intermediate product under closed system.

Studies of Nonstoichiometry and Physical Properties of the Perovskite $Sm_{1-x}Sr_xCoO_{3-y}$ System

  • 강진우;류광현;여철현
    • Bulletin of the Korean Chemical Society
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    • v.16 no.7
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    • pp.600-603
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    • 1995
  • A series of samples in the Sm1-xSrxCoO3-y(x=0.00, 0.25, 0.50, 0.75 and 1.00) system has been prepared at 1200 ℃ under ambient atmosphere. The X-ray diffraction patterns of the samples with x=0.00 and 0.25 are indexed with orthorhombic symmetry like GdFeO3 and x=0.50 appears to be perfectly cubic. In the tetragonal system (x=0.75), the structure is similar to that of SrCoO2.80. The composition of x=1.00, SrCoO2.52, shows the brownmillerite-type structure. The reduced lattice volume is increased with x value in this system. The chemical analysis shows the τ value (the amount of the Co4+ ions in the system) is maximized at the composition of x=0.50. Nonstoichiometric chemical formulas are determined by the x, τ and y values. The electrical conductivity has been measured in the temperature range of 78 to 1000 K. The activation energy is minimum for those of x=0.25 and x=0.50 with metallic behavior. First-order semiconductor-to-metal transition of SmCoO3 is not observed. Instead, a broad, high-order semiconductor-to-metal transition is observed. In general, the effective magnetic moment is increased with increasing τ values at low temperature. At high temperature, the magnetic moment is maximum for that of x=0.00. The 3d-electrons are collective and give ferromagnetism in x=0.50.