• 제목/요약/키워드: Dipole-dipole interaction

검색결과 115건 처리시간 0.027초

Oxime 화합물을 침윤시킨 Amberlite XAD 수지에 의한 금속이온의 흡착 및 회수에 관한 연구 (A Study on the Adsorption and Recovery of Metal Ions by Amberlite XAD Resins Impregnated with Oxime Compounds)

  • 이대운;음철헌;김영희;유의경
    • 대한화학회지
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    • 제29권4호
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    • pp.397-405
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    • 1985
  • 금속킬레이트제로써 잘 알려진 몇가지 oxime 화합물들의 Amberlite XAD 수지들에 대한 흡착성을 분포계수값을 측정함으로써 상호 비교해 본 결과 킬레이트제로서는 분포계수값이 비교적 큰 salicylaldoxime (SAO)과 ${\alpha}$-benzoinoxime(${\alpha}$-BzO) 그리고 수지로서는 XAD-4 수지가 적합함을 알았다. SAO과 ${\alpha}$-BzO를 XAD-4 수지에 각각 침윤시킨 SAO-XAD-4 및 ${\alpha}$-BzO-XAD-4 침윤수지의 그 특성을 조사하였다. SAO와 ${\alpha}$-BzO의 XAD-4 수지에 대한 최적 흡착조건은 30% 메탄올, pH 1∼8(SAO) 및 pH 1~9 (${\alpha}$-BzO)였다. SAO 및 ${\alpha}$-BzO의 XAD-4 수지에 대한 흡착은 온도가 증가함에 따라 감소하였으며, 그 흡착메카니즘은 흡착엔탈피(-${\Delta}$H)를 구해본 결과 4.99 ~ 6.66 (Kcal/mol)인 것으로 보아 쌍극자-쌍극자 인력에 상응하는 분자 흡착임을 알 수 있었다. 한편 금속이온을 흡착시키는 매질용액과 흡착된 금속이온을 회수하는 염산수용액에서 침윤수지의 안정성을 조사한 결과, 전자는 pH 5∼10에서, 후자는 0.1~5M 염산수용액에서 비교적 큰 안정성을 보였다. 두 침윤수지에 의한 Mn(II), Co(II), Ni(II), Zn(II)등의 금속이온의 흡착몰비는 대략 1;2(금속이온:킬레이트제)이었으며 흡착된 금속이온은 3M-HCl 수용액 또는 3M-HCl/50%-MeOH 용리액으로 정량적으로 회수가 가능하였다.

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BaMoO4:Tb3+ 형광체의 발광과 농도 소광 특성 (Photoluminescence and Concentration Quenching Properties of BaMoO4:Tb3+ Phosphors)

  • 조신호;김진대;황동현;조선욱
    • 한국재료학회지
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    • 제26권2호
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    • pp.67-72
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    • 2016
  • $BaMoO_4:Tb^{3+}$ phosphor powders were synthesized with different concentrations of $Tb^{3+}$ ions using the solid-state reaction method. XRD patterns showed that all the phosphors, irrespective of the concentration of $Tb^{3+}$ ions, had tetragonal systems with two main (112) and (004) diffraction peaks. The excitation spectra of the $Tb^{3+}$-doped $BaMoO_4$ phosphors consisted of an intense broad band centered at 290 nm in the range of 230-330 nm and two weak bands. The former broad band corresponded to the $4f^8{\rightarrow}4f^75d^1$ transition of $Tb^{3+}$ ions; the latter two weak bands were ascribed to the $^7F_2{\rightarrow}^5D_3$ (471 nm) and $^7F_6{\rightarrow}^5D_4$ (492 nm) transitions of $Tb^{3+}$. The main emission band, when excited at 290 nm, showed a strong green band at 550 nm arising from the $^5D_4{\rightarrow}^7F_5$ transition of $Tb^{3+}$ ions. As the concentration of $Tb^{3+}$ increased from 1 to 10 mol%, the intensities of all the emission lines gradually increased, approached maxima at 10 mol% of $Tb^{3+}$ ions, and then showed a decreasing tendency with further increase in the $Tb^{3+}$ ions due to the concentration quenching effect. The critical distance between neighboring $Tb^{3+}$ ions for concentration quenching was calculated and found to be $12.3{\AA}$, which indicates that dipole-dipole interaction was the main mechanism for the concentration quenching of the $^5D_4{\rightarrow}^7F_5$ transition of $Tb^{3+}$ in the $BaMoO_4:Tb^{3+}$ phosphors.

Molecular Orbital Theory on Cellulolytic Reactivity Between pNP-Cellooligosccharides and ${\beta}$-Glucosidase from Cellulomonas uda CS1-1

  • Yoon, Min-Ho;Nam, Yun-Kyu;Choi, Woo-Young;Sung, Nack-Do
    • Journal of Microbiology and Biotechnology
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    • 제17권11호
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    • pp.1789-1796
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    • 2007
  • A ${\beta}$-glucosidase with the molecular mass of 160,000 Da was purified to homogeneity from cell extract of a cellulolytic bacterium, Cellulomonas uda CS1-1. The kinetic parameters ($K_m$ and $V_{max}$) of the enzyme were determined with pNP-cellooligosccharides (DP 1-5) and cellobiose. The molecular orbital theoretical studies on the cellulolytic reactivity between the pNP-cellooligosaccharides as substrate (S) molecules and the purified ${\beta}$-glucosidase (E) were conducted by applying the frontier molecular orbital (FMO) interaction theory. The results of the FMO interaction between E and S molecules verified that the first stage of the reaction was induced by exocyclic cleavage, which occurred in an electrophilic reaction based on a strong charge-controlled reaction between the highest occupied molecular orbital (HOMO) energy of the S molecule and the lowest occupied molecular orbital (LUMO) energy of the hydronium ion ($H_3O^+$), more than endocyclic cleavage, whereas a nucleophilic substitution reaction was induced by an orbital-controlled reaction between the LUMO energy of the oxonium ion ($SH^+$) protonated to the S molecule and the HOMO energy of the $H_2O_2$ molecule. A hypothetic reaction route was proposed with the experimental results in which the enzymatic acid-catalyst hydrolysis reaction of E and S molecules would be progressed via $SN_1$ and $SN_2$ reactions. In addition, the quantitative structure-activity relationships (QSARs) between these kinetic parameters showed that $K_m$ has a significant correlation with hydrophobicity (logP), and specific activity has with dipole moment, respectively.

비수용성 용매를 이용한 탈염화 가능한가?: 적용 가능한 용매선정 기법 제안 (Can Non-aqueous Solvent Desalinate?: Suggestion of the Screening Protocol for Selection of Potential Solvents)

  • 최오경;서준호;김경수;김두일;이재우
    • 한국물환경학회지
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    • 제36권1호
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    • pp.48-54
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    • 2020
  • This paper presents a screening protocol for the selection of solvents available for the solvent extraction desalination process. The desalination solvents hypothetically and theoretically require the capability of (1) Forming hydrogen bonds with water, (2) Absorbing some water molecules into its non-polar solvent layer, (3) Changing solubility for water-solvent separation, and (4) Rejecting salt ions during absorption. Similar to carboxylic acids, amine solvents are solvent chemicals applicable for desalination. The key parameter for selecting the potential solvent was the octanol-water partitioning coefficient (Kow) of which preferable value for desalination was in the range of 1-3. Six of the 30 amine solvents can absorb water and have a variable, i.e., temperature swing solubility with water molecule for water-solvent separation. Also, the hydrogen bonding interaction between solvent and water must be stronger than the ion-dipole interaction between water and salt, which means that the salt ions must be broken from the water and only water molecules absorbed for the desalination. In the final step, three solvents were selected as desalination solvents to remove salt ions and recover water. The water recovery of these three solvents were 15.4 %, 2.8 %, 10.5 %, and salt rejection were 76 %, 98 %, 95 %, respectively. This study suggests a new screening protocol comprising the theoretical and experimental approaches for the selection of solvents for the desalination method which is a new and challenges the desalination process in the future.

MeOH-DMSO 혼합용매중에서 tert-butyl halide의 이온화에 미치는 용매효과 (Study of Solvent Effects on the Ionization of tert-butyl Halide in MeOH-DMSO Mixtures)

  • 사공열;김시준;김진성;이본수
    • 대한화학회지
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    • 제29권1호
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    • pp.45-51
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    • 1985
  • MeOH-DMSO 혼합용매중에서 t-butyl halide의 가메탄올 분해반응 속도상수 및 활성화 파라미터를 전기전도도법으로 측정하였고, Taft의 분광용매화 변수인 용매의 극성-편극성(${\pi}^{\ast}$), 수소결합주기산도(${\alpha}$) 및 수소결합 받기염기도(${\beta}$)를 분광법에 의해서 5가지의 지시약을 이용하여 측정계산하였다. 분광용매화변수와 반응속도상수로부터 얻은 활성화파라미터를 써서 용매의 부피조성비에 따른 가용매분해반응의 속도상수 변화를 논의한 결과, t-butyl halide의 이온화에 용매의 ${\pi}^{\ast}$, ${\alpha}$${\beta}$가 협동적으로 기여했고, 또한 이탈기와 혼합용매사이의 이온-쌍극자 작용과 수소결합주기-받기 작용과 같은 독특한 상호작용이 전이상태의 안정화에 미치는 가장 중요한 용매효과 인자들임을 밝혔다.

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Quenching of Ofloxacin and Flumequine Fluorescence by Divalent Transition Metal Cations

  • Park, Hyoung-Ryun;Oh, Chu-Ha;Lee, Hyeong-Chul;Choi, Jae-Gyu;Jung, Beung-In;Bark, Ki-Min
    • Bulletin of the Korean Chemical Society
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    • 제27권12호
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    • pp.2002-2010
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    • 2006
  • This study examined the quenching of ofloxacin (OFL) and flumequine (FLU) fluorescence by $Cuj^{2+}$, $Ni^{2+}$, $Co^{2+}$ and $Mn^{2+}$ in an aqueous solution. The change in the fluorescence intensity and lifetime was measured at various temperatures as a function of the quencher concentration. According to the Stern-Volmer plots, the fluorescence emission was quenched by both collisions (dynamic quenching) and complex formation (static quenching) with the same quencher but the effect of static quenching was larger than that of dynamic quenching. Large static and dynamic quenching constants for both OFL and FLU support significant ion-dipole and orbital-orbital interactions between fluorophore and quencher. For both molecules, the static and dynamic quenching constants by $Cu^{2+}$ were the largest among all the metal quenchers examined in this study. In addition, both the static and dynamic quenching mechanisms by $Cu^{2+}$ were somewhat different from the quenching caused by other metals. Between $Ni^{2+}$ and FLU, a different form of chemical interaction was observed compared with the interaction by other metals. The change in the absorption spectra as a result of the addition of a quencher provided information on static quenching. With all these metals, the static quenching constant of FLU was larger than those of OFL. The fluorescence of OFL was quite insensitive to both the dynamic and static quenching compared with FLU. This property of OFL can be explained by the twisted intramolecular charge transfer in the excited state.

유화 Spinel $Co_{0.95}Fe_{0.05}Cr_2S_4$에서 Jahn - Teller Distortion에 의한 Mossbauer 공명 흡수선의 변화에 관한 연구 (The Mossbauer Spectra Changes Due to the Jahn-Teller Distortion in Sulphur Spinel $Co_{0.95}Fe_{0.05}Cr_2S_4$)

  • 서정철;이민용;고영복
    • 한국자기학회지
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    • 제7권5호
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    • pp.225-231
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    • 1997
  • 유화 Spinel $Co_{0.95}$ F $e_{0.05}$C $r_{2}$ $S_{4}$에 대한 Mossbauer Spectrum을 자기적 전이온도 부근에서부터 액체 헬륨 온도까지 여러 온도 범위에 측정하였다. 사면체 자리에 놓여있는 F $e^{2+}$ 이온은 Jahn-Teller active로서의 역할을 하여 자기적 전이온도 이하에서부터 결정 구조상에 일그러짐을 유도하여 전기 4중극자를 형성하게된다. 초미세 자기장은 100 K 근방에서 최대 값을 갖고 온도가 감소할수록 급히 감소하는 현상을 보이고 있다. 전기 4중극자 상호작용과 자기 2중극자 상호작용 크기의 비 R은 자기적 전이온도에서 0의 값이었으나 온도가 내려감에 따라 증가하여 4.2 K 에서는 5.4의 값을 가지고 있다. 초미세 자기장의 방향과 최대 전기장 기울기 주축과의 각 .theta. 의 최적 값은 0이며 최대 전기장 기울기의 비 대칭성 매개변수 .eta. 는 0.25 근방임이 밝혀졌다. 이 경우의 Mossbauer spectra 컴퓨터 모사는 실험결과와 잘 일치하고 있다....

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특정상호작용에 의한 폴리프로필렌/EPDM 블렌드의 상용성 향상 (Miscibility Improvement in PP and EPDM Blends via Introducing Specific Interaction)

  • 조영욱;고진환;이원기;이진국;조원제;하창식
    • Elastomers and Composites
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    • 제35권1호
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    • pp.46-52
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    • 2000
  • 폴리프로필렌(PP)과 에틸렌-프로필렌-디엔 고무(EPDM)의 양쪽 성분에 특정 상호 작용기도입에 의한 상용성 향상효과를 연구하였다. PP는 무수말레인산으로 그래프트시켰고(PP-g-MAH), 다른 한 성분으로는 황산화 EPDM 이오노머(ZnSEPDM)를 사용하였다. 브라벤더 혼합기를 이용하여 $200^{\circ}C$에서 블렌딩을 행하였다. 상용성은 FTIR분광기로 분석하였고 또한, 동적기계적 물성으로 분석하였다. FTIR결과 PP-g-MAH 의 카보닐기는 단파장 쪽으로 이동하고, ZnSEPDM의 슬폰기는 장파장쪽으로 이동하는 것을 알 수 있었다. ZnSEPDM의 유리전이온도는 그 조성이 70wt.%까지는 증가하다가 70wt.%이상에서 감소하였다. FTIR 스펙트라와 유리전이온도 결과로부터 특정상호작용, 즉 쌍극자-이온 상호작용에 의해 PP-EPDM 사이의 상용성이 증가하는 것을 알 수 있었다.

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태평양-인도양 해양순환 연구 프로그램 (TIPEX (Tropical Indo-Pacific water transport and ecosystem monitoring EXperiment) Program)

  • 전동철;김응;신창웅;김철호;국종성;이재학;이윤호;김석현
    • Ocean and Polar Research
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    • 제35권3호
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    • pp.259-272
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    • 2013
  • One of the factors influencing the climate around Korea is the oceanic-atmospheric variability in the tropical region between the eastern Indian and the western Pacific Oceans. Lack of knowledge about the air-sea interaction in the tropical Indo-Pacific region continues to make it problematic forecasting the ocean climate in the East Asia. The 'Tropical Indo-Pacific water transport and ecosystem monitoring EXperiment (TIPEX)' is a program for monitoring the ocean circulation variability between Pacific and Indian Oceans and for improving the accuracy of future climate forecasting. The main goal of the TIPEX program is to quantify the climate and ocean circulation change between the Indian and the Pacific Oceans. The contents of the program are 1) to observe the mixing process of different water masses and water transport in the eastern Indian and the western Pacific, 2) to understand the large-scale oceanic-climatic variation including El Nino-Southern Oscillation (ENSO)/Warm Pool/Pacific Decadal Oscillation (PDO)/Indian Ocean Dipole (IOD), and 3) to monitor the biogeochemical processes, material flux, and biological changes due to the climate change. In order to effectively carry out the monitoring program, close international cooperation and the proper co-work sharing of tasks between China, Japan, Indonesia, and India as well as USA is required.

AKARI AND SPINNING DUST: INVESTIGATING THE NATURE OF ANOMALOUS MICROWAVE EMISSION VIA INFRARED SURVEYS

  • Bell, Aaron C.;Onaka, Takashi;Doi, Yasuo;Sakon, Itsuki;Usui, Fumihiko;Sakon, Itsuki;Ishihara, Daisuke;Kaneda, Hidehiro;Giard, Martin;Wu, Ronin;Ohsawa, Ryou;Mori-Ito, Tamami;Hammonds, Mark;Lee, Ho-Gyu
    • 천문학논총
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    • 제32권1호
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    • pp.97-99
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    • 2017
  • Our understanding of dust emission, interaction, and evolution, is evolving. In recent years, electric dipole emission by spinning dust has been suggested to explain the anomalous microwave excess (AME), appearing between 10 and 90 Ghz. The observed frequencies suggest that spinning grains should be on the order of 10nm in size, hinting at polycyclic aromatic hydrocarbon molecules (PAHs). We present data from the AKARI/Infrared Camera (IRC) due to its high sensitivity to the PAH bands. By inspecting the IRC data for a few AME regions, we find a preliminary indication that regions well-fitted by a spinning-dust model have a higher $9{\mu}m$ than $18{\mu}m$ intensity vs. non-spinning-dust regions. Ongoing efforts to improve the analysis by using DustEM and including data from the AKARI Far Infrared Surveyor (FIS), IRAS, and Planck High Frequency Instrument (HFI) are described.