• Title/Summary/Keyword: $\pi$-bonding

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Phase Transition adn Crystal Structure Analysis Using Rietveld Method in the $(Na_{0.3}Sr_{0.7})(Ti_{0.7}M_{0.3})O_3 (M=Ta, Nb)$ System (Rietveld 법을 이용한 $(Na_{0.3}Sr_{0.7})(Ti_{0.7}M_{0.3})O_3 (M=Ta, Nb)$ 계에서의 결정구조 해석과 상전이 특성)

  • 정훈택;김호기
    • Journal of the Korean Ceramic Society
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    • v.32 no.5
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    • pp.582-586
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    • 1995
  • The crystal structures of (Na0.3Sr0.7)(Ti0.7M0.3)O3 (M=Ta, Nb) compounds were determined using the Rietveld method. Due to the tilting of a oxygen octahedron, (Na0.3Sr0.7)(Ti0.7Nb0.3)O3 had a superlattice of doubled a, b and c of simple perovskite. The crystal structure of (Na0.3Sr0.7)(Ti0.7M0.3)O3 was tetragonal with a space group 14/mmm. The crystal structure of (Na0.3Sr0.7)(Ti0.7M0.3)O3 was a cubic with space group Pm3m, in which no tilting of oxygen octahedron was observed. The difference in the oxygen tilting of these two materials was due to the larger covalency of Nb-O bond than that of Ta-O bond, which induced a strong $\pi$Nb0 bonding in (Na0.3Sr0.7)(Ti0.7M0.3)O3. Therefore, the higher transition temperature of (Na0.3Sr0.7)(Ti0.7M0.3)O3 could be related to the larger tilting of oxygen octahedron.

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Synthesis and Application of Metal Doped Silica Particles for Adsorptive Desulphurization of Fuels

  • Jabeen, Bushra;Rafique, Uzaira
    • Environmental Engineering Research
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    • v.19 no.3
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    • pp.205-214
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    • 2014
  • Petroleum a vital commodity affecting every aspect of 21st century. Toxicity and adverse effects of sulphur as catalyst in petroleum products is of great concern required development of techniques for desulphurization in compliance with the International standards. Installation of desulphurizing units costs over $200 million per unit placing economic burden on developing countries like Pakistan. Present study analysis of commercial fuels (station petrol and jet fuel JP8) on gas chromatography-mass spectrometry (GC-MS) identified sulphur concentration of 19.94 mg/L and 21.75 mg/L, respectively. This scenario urged the researcher to attempt synthesis of material that is likely to offer good adsorption capacity for sulphur. Following protocol of sol-gel method, transition metals (Ni, Cu, Zn) solution is gelated with tetraethoxysilane (TEOS; silica precursor) using glycerol. Fourier transform infrared spectroscopy (FTIR) spectra revealed bonding of Zn-O, Cu-O, and Ni-O by stretching vibrations at $468cm^{-1}$, $617cm^{-1}$, and $468cm^{-1}$, respectively. Thiophene and Benzothiophene mixed in n-heptane and benzene (4:1) for preparation of Model Fuels I and II, respectively. Each of silica based metal was applied as adsorbent in batch mode to assess the removal efficiency. Results demonstrated optimal desulphurization of more than 90% following efficacy order as Si-Ni > Si-Zn > Si-Cu based adsorbents. Proposed multilayered (Freundlich) adsorption mechanism follows ${\pi}$-complexation with pseudo secnd order kinetics.

Flexural performance of composite beams with open-web π-shaped steel partially-encased by concrete

  • Liusheng Chu;Yunhui Chen;Jie Li;Yukun Yang;Danda Li;Xing Ma
    • Steel and Composite Structures
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    • v.50 no.4
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    • pp.419-428
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    • 2024
  • Prefabricated partially-encased composite (PEC) structural component is widely used in construction industry due to its superior structural performance and easy assembly characteristic. However, the solid web in traditional PEC components tends to split concrete into two halves, thus potentially reduces structural integrity and requires double concrete pouring. To overcome the above disadvantages, a new PEC beam with open-web π-shaped steel is proposed in this paper. Four open-web PEC beams with varying sectional height, flange thickness and web void rate were constructed and tested under flexural loads. During experimental tests, all beams exhibited typical flexural failure modes with strong moment capacities and excellent ductility. Owing to the unique construction form of web opening, steel-concrete bonding properties were enhanced and very small relative steel-concrete slips were observed. Experimental results also showed that the flexural capacity of such PEC beams increased with the increase of the sectional height and flange thickness, while was not affected by the web void rate. At last, a flexural capacity formula of the open-web PEC beam was proposed based on the whole section plastic rule. The formula results agreed well with experimental results.

Contribution of Arginine 13 to the Catalytic Activity of Human Class Pi Glutathione Transferase P1-1

  • Kong, Ji-Na;Jo, Dong-Hyeon;Do, Hyun-Dong;Lee, Jin-Ju;Kong, Kwang-Hoon
    • Bulletin of the Korean Chemical Society
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    • v.31 no.9
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    • pp.2497-2502
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    • 2010
  • Arg13 is a conserved active-site residue in all known Pi class glutathione S-transferases (GSTs) and in most Alpha class GSTs. To evaluate its contribution to substrate binding and catalysis of this residue, three mutants (R13A, R13K, and R13L) were expressed in Escherichia coli and purified by GSH affinity chromatography. The substitutions of Arg13 significantly affected GSH-conjugation activity, while scarcely affecting glutathione peroxidase or steroid isomerase activities. Mutation of Arg13 into Ala largely reduced the GSH-conjugation activity by approximately 85 - 95%, whereas substitutions by Lys and Leu barely affected activity. These results suggest that, in the GSH-conjugation activity of hGST P1-1, the contribution of Arg13 toward catalytic activity is highly dependent on substrate specificities and the size of the side chain at position 13. From the kinetic parameters, introduction of larger side chains at position 13 results in stronger affinity (Leu > Lys, Arg > Ala) towards GSH. The substitutions of Arg13 with alanine and leucine significantly affected $k_{cat}$, whereas substitution with Lys was similar to that of the wild type, indicating the significance of a positively charged residue at position 13. From the plots of log ($k_{cat}/{K_m}^{CDNB}$) against pH, the $pK_a$ values of the thiol group of GSH bound in R13A, R13K, and R13L were estimated to be 1.8, 1.4, and 1.8 pK units higher than the $pK_a$ value of the wild-type enzyme, demonstrating the contribution of the Arg13 guanidinium group to the electrostatic field in the active site. From these results, we suggest that contribution of Arg13 in substrate binding is highly dependent on the nature of the electrophilic substrates, while in the catalytic mechanism, it stabilizes the GSH thiolate through hydrogen bonding.

Properties of Particleboard Using Byproduct of Plywood Manufacture - Evaluation on the Elements of Surface Layer and Pre-treatment of Particles (합판 공장 부산물을 이용한 파티클보드의 물성에 관한 연구 - 표층 구성요소 및 파티클 전처리 여부에 따른 비교 -)

  • Hwang, Jung Taek;Pi, Duck Won;Kang, Seog Goo
    • Journal of the Korean Wood Science and Technology
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    • v.41 no.1
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    • pp.33-41
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    • 2013
  • This study was performed to analyse cause of quality deterioration using byproduct of plywood and to determine physical and mechanical properties of particleboard used new bonding condition we found. The result of bending strength of Com-Ply board using EMDI is 57.7 $N/mm^2$ on linear direction and 25.1 $N/mm^2$ on vertical direction. EMDI has better water-resisting qualities than Urea formaldehyde adhesive according to result of thickness swelling and water absorption test. Pre-treatment soaked particle 72 hours in water caused increase of HCHO emission.

Heteroleptic Phosphorescent Iridium(III) Compound with Blue Emission for Potential Application to Organic Light-Emitting Diodes

  • Oh, Sihyun;Jung, Narae;Lee, Jongwon;Kim, Jinho;Park, Ki-Min;Kang, Youngjin
    • Bulletin of the Korean Chemical Society
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    • v.35 no.12
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    • pp.3590-3594
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    • 2014
  • Blue phosphorescent $(dfpypy)_2Ir(mppy)$, where dfpypy = 2',6'-difluoro-2,3'-bipyridine and mppy = 5-methyl-2-phenylpyridine, has been synthesized by newly developed effective method and its solid state structure and photoluminescent properties are investigated. The glass-transition and decomposition temperature of the compound appear at $160^{\circ}C$ and $360^{\circ}C$, respectively. In a crystal packing structure, there are two kinds of intermolecular interactions such as hydrogen bonding ($C-H{\cdots}F$) and edge-to-face $C-H{\cdots}{\pi}(py)$ interaction. This compound emits bright blue phosphorescence with ${\lambda}_{max}=472nm$ and quantum efficiencies of 0.23 and 0.32 in fluid and the solid state. The emission band of the compound is red-shifted by 40 nm relative to homoleptic congener, $Ir(dfpypy)_3$. The ancillary ligand in $(dfpypy)_2Ir(mppy)$ has been found to significantly destabilize HOMO energy, compared to $Ir(dfpypy)_3$, $(dfpypy)_2Ir(acac)$ and $(dfpypy)_2Ir(dpm)$, without significantly changing LUMO energy.

Initial changes of dental plaque, gingivitis and decalcification in Korean orthodontic patients with fixed appliance (한국인 고정식 교정 환자의 치태, 치은염 및 탈회의 초기 변화에 관한 연구)

  • Kang, Kook-Jin;Shon, Byung-Hwa
    • The korean journal of orthodontics
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    • v.29 no.3 s.74
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    • pp.361-374
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    • 1999
  • Intraoral filled type of orthodontic appliance can cause reversible or irreversible damages such as gingivitis, periodontitis, enamel decalcification, dental caries, root resorption, and pulpal changes. Such adverse effects are brought by increase in dental plaque as well as oral flora. Such an increase causes gingival inflammation and enamel decalcification. The purpose of this study is to get klowledge on initial changes in dental plaque, gingivitis, and enamel decalcification after bonding fixed orthodontic appliances according to time flow, gender, and sides(right/left) of premolar region. For control group, 48 students of dental college, Yonsei university(26 males, 22 females) were chosen; for experimental group, 73 orthodontic patients(36 males, 37 females) who will be treated with fixed appliances were chosen. All the subjects had no systemic disease, juvenile periodontitis and all the females had passed their ,menarche. Tooth brushing instruction was given to all the subjects prior to the experiment. For control group, plaque index, gingival index, and decalcification index were measured twice at 3 weeks interval ; for experimental group, the same was done prior to, 3, 6, 9 weeks after bonding fixed appliances. The following results were obtained: 1. In plaque index 3 weeks after placement of appliances, and it showed gradual increase afterwards. 2. In gingival index3 weeks after placement of appliances, and afterwards it showed increase at a faster rate than plaque index. 3. Enamel decalcification began to show between 3 and 6 weeks after bonding fixed appliances. Decalcification index began to increase 6 weeks after appliance placement, but there was no statistical significance. 4. When the comparison was made between two sides of premolar region, the right side showed greater index in plaque and gingival index of experimental group.

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Formation and Characteristics of the Fluorocarbonated SiOF Film by $O_2$/FTES-Helicon Plasma CVD Method

  • Kyoung-Suk Oh;Min-Sung Kang;Chi-Kyu Choi;Seok-Min Yun
    • Proceedings of the Korean Vacuum Society Conference
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    • 1998.02a
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    • pp.77-77
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    • 1998
  • Present silicon dioxide (SiOz) 떠m as intennetal dielectridIMD) layers will result in high parasitic c capacitance and crosstalk interference in 비gh density devices. Low dielectric materials such as f f1uorina뼈 silicon oxide(SiOF) and f1uoropolymer IMD layers have been tried to s이ve this problem. I In the SiOF ftlm, as fluorine concentration increases the dielectric constant of t뼈 film decreases but i it becomes unstable and wa않r absorptivity increases. The dielectric constant above 3.0 is obtain어 i in these ftlms. Fluoropolymers such as polyte$\sigma$따luoroethylene(PTFE) are known as low dielectric c constant (>2.0) materials. However, their $\alpha$)Or thermal stability and low adhesive fa$\pi$e have h hindered 야1리ru뚱 as IMD ma따"ials. 1 The concept of a plasma processing a찌Jaratus with 비gh density plasma at low pressure has r received much attention for deposition because films made in these plasma reactors have many a advantages such as go여 film quality and gap filling profile. High ion flux with low ion energy in m the high density plasma make the low contamination and go어 $\sigma$'Oss피lked ftlm. Especially the h helicon plasma reactor have attractive features for ftlm deposition 야~au똥 of i앙 high density plasma p production compared with other conventional type plasma soun:es. I In this pa야Jr, we present the results on the low dielectric constant fluorocarbonated-SiOF film d밑JOsited on p-Si(loo) 5 inch silicon substrates with 00% of 0dFTES gas mixture and 20% of Ar g gas in a helicon plasma reactor. High density 띠asma is generated in the conventional helicon p plasma soun:e with Nagoya type ill antenna, 5-15 MHz and 1 kW RF power, 700 Gauss of m magnetic field, and 1.5 mTorr of pressure. The electron density and temperature of the 0dFTES d discharge are measUI벼 by Langmuir probe. The relative density of radicals are measured by optic허 e emission spe따'Oscopy(OES). Chemical bonding structure 3I피 atomic concentration 따'C characterized u using fourier transform infrared(FTIR) s야3띠"Oscopy and X -ray photonelectron spl:’따'Oscopy (XPS). D Dielectric constant is measured using a metal insulator semiconductor (MIS;AVO.4 $\mu$ m thick f fIlmlp-SD s$\sigma$ucture. A chemical stoichiome$\sigma$y of 야Ie fluorocarbina$textsc{k}$영-SiOF film 따~si야영 at room temperature, which t the flow rate of Oz and FTES gas is Isccm and 6sccm, res야~tvely, is form려 야Ie SiouFo.36Co.14. A d dielec$\sigma$ic constant of this fIlm is 2.8, but the s$\alpha$'!Cimen at annealed 5OOt: is obtain려 3.24, and the s stepcoverage in the 0.4 $\mu$ m and 0.5 $\mu$ m pattern 킹'C above 92% and 91% without void, res야~tively. res야~tively.

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Synthesis of Polymer-Silica Hybrid Particle by Using Polyamine Nano Complex (폴리아민 나노 복합체를 이용한 고분자-실리카 복합체 입자 합성)

  • Kim, Dong-Yeong;Seo, Jun-Hee;Lee, Byungjin;Kang, Kyoung-Ku;Lee, Chang-Soo
    • Clean Technology
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    • v.27 no.2
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    • pp.115-123
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    • 2021
  • This study demonstrates a new method for the synthesis of organic-inorganic hybrid particles composed of an inorganic silica shell and organic core particles. The organic core particles are prepared with a uniform size using droplet-based microfluidic technology. In the process of preparing the organic core particles, uniform droplets are generated by independently controlling the flow rates of the dispersed phase containing photocurable resins and the continuous phase. After the generation of droplets in a microfluidic device, the droplets are photo-polymerized as particles by ultraviolet irradiation at the ends of microfluidic channels. The core particle is coated with a nano complex composed of polyallylamine hydrochloride (PAH) and phosphate ion (Pi) through strong non-covalent interactions such as hydrogen bonding and electrostatic interaction under optimized pH conditions. The polyamine nano complex rapidly induces the condensation reaction of silicic acid through the arranged amine groups of the main chain of PAH. Therefore, this method enabled the preparation of organic-inorganic hybrid particles coated with inorganic silica nanoparticles on the organic core. Finally, we demonstrated the synthesis of organic-inorganic hybrid particles in a short time under ambient and environmentally friendly conditions, and this is applicable to the production of organic-inorganic hybrid particles having various sizes and shapes.

Effect of substrate bias voltage on a-C:H film (기판 bias 전압이 a-C:H 박막의 특성에 미치는 영향)

  • 유영조;김효근;장홍규;오재석;김근식
    • Journal of the Korean Vacuum Society
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    • v.6 no.4
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    • pp.348-353
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    • 1997
  • Hydrogenated amorphous carbon(a-C:H) films were deposited on p-type Si(100) by DC saddle-field plasma enhanced CVD to investigate the effect of substrate bias on optical properties and structural changes. They were deposited using pure methane gas at a wide range of substrate bias at room temperature and 90 mtorr. The substrate bias voltage ($V_s$) was employed from $V_s=0 V$ to $V_s=400 V$. The information of optical properties was investigated by photoluminescence and transmitance. Chemical bondings of a-C:H have been explored from FT-IR and Raman spectroscopy. The thickness and relative hydrogen content of the films were measured by Rutherford backscattering spectroscopy (RBS) and elastic recoil detection (ERD) technigue. The growth rate of a-C:H film was decreased with the increase of $V_s$, but the hydrogen content of the film was increased with the increase of $V_s$. The a-C:H films deposited at the lowest $V_s$ contain the smallest amount of hydrogen with most of C-H bonds in the of $CH_2$ configuration, whereas the films produced at higher $V_s$ reveal dominant the $CH_3$ bonding structure. The emission of white photoluminescence from the films were observed even with naked eyes at room temperature and the PL intensity of the film has the maximum value at $V_s$=200 V. With $V_s$ lower than 200 V, the PL intensity of the film increased with V, but for V, higher than 200 V, the PL intensity decreased with the increase of $V_s$. The peak energy of the PL spectra slightly shifted to the higher energy with the increase of $V_s$. The optical bandgap of the film, determined by optical transmittance, was increased from 1.5 eV at $V_s$=0V to 2.3 eV at $V_s$=400 V. But there were no obvious relations between the PL peak and the optical gap which were measured by Tauc process.

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