• 제목/요약/키워드: Dissociation energy

검색결과 246건 처리시간 0.025초

Optical emission analysis of hybrid air-water discharges

  • Pavel, Kostyuk;Park, J.Y.;Han, S.B.;Koh, H.S.;Gou, B.K.;Lee, H.W.
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2006년도 하계학술대회 논문집 Vol.7
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    • pp.521-522
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    • 2006
  • In this paper, hybrid air-water discharges were used to develop an optimal condition for providing a high level of water decomposition for hydrogen yield. Electrical and optical phenomena accompanying the discharges were investigated along with feeding gases, flow rates, and point-to-plane electrode gap distance. The primary focus of this experiment was put on the optical emission of the near UV range, with the energy threshold sufficient for water dissociation and excitation. The $OH(A^{2+},'=0\;X^2,"=0$) band's optical emission intensity indicated the presence of plasma chemical reactions involving hydrogen formation. In the gaseous atmosphere saturated with water vapor the OH(A-X) band intensity was relatively high compared to the liquid and transient phases although the optical emission strongly depended on the flow rate and type of feeding gas. In the gaseous phase discharge phenomenon for Ar carrier gas transformed into a gliding arc via the flow rate growth. OH(A-X) band's intensity increased according to the flow rate or residence time of He feeding gas. Reciprocal tendency was acquired for $N_2$ and Ar carrier gases. The peak value of OH(A-X) intensity was observed in the proximity of the water surface, however in the cases of Ar and $N_2$ with 0.5 SLM flow rate peaks shifted to the region below the water surface. Rotational temperature ($T_{rot}$) was estimated to be in the range of 900-3600 K, according to the carrier gas and flow rate, which corresponds to the arc-like-streamer discharge.

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RF 마그네트론 스퍼터링에서 증착거리와 증착온도가 무기 액정 배향막의 물리적 성질에 미치는 영향에 대한 연구 (Influences of Target-to-Substrate Distance and Deposition Temperature on a-SiOx/Indium Doped Tin Oxide Substrate as a Liquid Crystal Alignment Layer)

  • 박정훈;손필국;김기범;박혁규
    • 한국재료학회지
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    • 제18권10호
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    • pp.521-528
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    • 2008
  • We present the structural, optical, and electrical properties of amorphous silicon suboxide (a-$SiO_x$) films grown on indium tin oxide glass substrates with a radio frequency magnetron technique from a polycrystalline silicon oxide target using ambient Ar. For different substrate-target distances (d = 8 cm and 10 cm), the deposition temperature effects were systematically studied. For d = 8cm, oxygen content in a-$SiO_x$ decreased with dissociation of oxygen onto the silicon oxide matrix; temperature increased due to enlargement of kinetic energy. For d = 10 cm, however, the oxygen content had a minimum between $150^{\circ}\;and\;200^{\circ}$. Using simple optical measurements, we can predict a preferred orientation of liquid crystal molecules on a-$SiO_x$ thin film. At higher oxygen content (x > 1.6), liquid crystal molecules on an inorganic liquid crystal alignment layer of a-$SiO_x$ showed homogeneous alignment; however, in the lower case (x < 1.6), liquid crystals showed homeotropic alignment.

Molecular insights into the role of genetic determinants of congenital hypothyroidism

  • Kollati, Yedukondalu;Akella, Radha Rama Devi;Naushad, Shaik Mohammad;Patel, Rajesh K.;Reddy, G. Bhanuprakash;Dirisala, Vijaya R.
    • Genomics & Informatics
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    • 제19권3호
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    • pp.29.1-29.10
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    • 2021
  • In our previous studies, we have demonstrated the association of certain variants of the thyroid-stimulating hormone receptor (TSHR), thyroid peroxidase (TPO), and thyroglobulin (TG) genes with congenital hypothyroidism. Herein, we explored the mechanistic basis for this association using different in silico tools. The mRNA 3'-untranslated region (3'-UTR) plays key roles in gene expression at the post-transcriptional level. In TSHR variants (rs2268477, rs7144481, and rs17630128), the binding affinity of microRNAs (miRs) (hsa-miR-154-5p, hsa-miR-376a-2-5p, hsa-miR-3935, hsa-miR-4280, and hsa-miR-6858-3p) to the 3'-UTR is disrupted, affecting post-transcriptional gene regulation. TPO and TG are the two key proteins necessary for the biosynthesis of thyroid hormones in the presence of iodide and H2O2. Reduced stability of these proteins leads to aberrant biosynthesis of thyroid hormones. Compared to the wild-type TPO protein, the p.S398T variant was found to exhibit less stability and significant rearrangements of intra-atomic bonds affecting the stoichiometry and substrate binding (binding energies, ΔG of wild-type vs. mutant: -15 vs. -13.8 kcal/mol; and dissociation constant, Kd of wild-type vs. mutant: 7.2E-12 vs. 7.0E-11 M). The missense mutations p.G653D and p.R1999W on the TG protein showed altered ΔG(0.24 kcal/mol and 0.79 kcal/mol, respectively). In conclusion, an in silico analysis of TSHR genetic variants in the 3'-UTR showed that they alter the binding affinities of different miRs. The TPO protein structure and mutant protein complex (p.S398T) are less stable, with potentially deleterious effects. A structural and energy analysis showed that TG mutations (p.G653D and p.R1999W) reduce the stability of the TG protein and affect its structure-functional relationship.

활성탄에 의한 Acid Black과 Quinoline Yellow의 흡착특성 및 파라미터 (Adsorption Characteristics and Parameters of Acid Black and Quinoline Yellow by Activated Carbon)

  • 이경호;황은진;백우승;이종집;동종인
    • 청정기술
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    • 제26권3호
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    • pp.186-195
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    • 2020
  • 활성탄에 의한 Acid black(AB)과 Quinoline yellow(QY)의 등온흡착과 속도실험을 염료의 초기농도, 접촉 시간, 온도 및 pH를 흡착변수로 수행하여 등온흡착과 동력학적, 열역학적 파라미터에 대해 조사하였다. 흡착평형자료는 Freundlich 등온흡착식에 잘 맞았으며, 계산된 Freundlich 분리계수 값으로부터 활성탄이 AB와 QY를 효과적으로 제거할 수 있다는 것을 알았다. 속도실험 데이터는 흡착공정은 유사 이차 반응속도식이 오차율 10% 이내로 잘 맞았다. 입자 내 확산식에 대한 결과는 두단계의 직선으로 구분되었다. 입자내 확산을 나타내는 두 번째 직선의 기울기가 경계층 확산의 기울기보다 작아서 입자 내 확산이 속도지배단계인 것을 확인하였다. 열역학 실험으로부터 AB와 QY의 활성화 에너지는 각각 19.87 kJ mol-1, 14.17 kJ mol-1였고 물리흡착공정(5 ~ 40 kJ mol-1)에 해당하였다. 활성탄에 의한 AB와 QY의 흡착반응의 자유에너지 변화는 298 ~ 318 K 범위에서 모두 음의 수치를 나타냈기 때문에 흡착반응이 자발적이었으며 온도가 증가할수록 자유에너지 값이 감소하였기 때문에 자발성이 더 높아졌다. pH 변화실험 결과, 활성탄에 의한 AB와 QY는 해리하여 발생한 음이온의 영향으로 pH 3에서 가장 높은 흡착제거율을 나타냈으며, 흡착메카니즘은 정전기적 인력이었다.

심근 Mitochondria의 $Na^+-Ca^{++}$교환에 관한 연구 (The Study on $Na^+-Ca^{++}$ Exchange in Heart Mitochondria)

  • 신상구;김명석;임정규
    • 대한약리학회지
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    • 제18권2호
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    • pp.89-102
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    • 1982
  • The $Na^+-and\;K^+-induced\;Ca^{++}$ release was measured isotopically by millipore filter technique in pig heart mitochondria. With EGTA-quenching technique, the characteristics of mitochondrial $Ca^{++}-pool$ and the sources of $Ca^{++}$ released from mitochondria by $Na^+\;or\;K^+$ were analyzed. The mitochondrial $Ca^{++}-pool$ could be distinctly divided into two components: internal and external ones which were represented either by uptake through inner membrane, or by energy independent passive binding to external surface of mitochondria, respectively. In energized mitochondria, a large portion of $Ca^{++}$was transported into internal pool with little external binding, while in de-enerigzed state, a large portion of transported $Ca^{++}$ existed in the external pool with limited amount of $Ca^{++}$ in the internal pool which was possibly transported through the $Ca^{++}-carrier$ present in the inner membrane. $Na^+$ induced the $Ca^{++}$ release from both internal pool and external pool and external binding pool of mitochondria. In contrast, $K^+$ did not affect $Ca^{++}$ of the internal pool, but, displaced $Ca^{++}$ bound to external surface of the mitochondria. When the $Ca^{++}-reuptake$ was blocked by EGTA, the $Ca^{++}$ release from the internal pool by $Na^+$ was rapid; the rate of $Ca^{++}-efflux$ appeared to be a function of $[Na^+]^2$ and about 8mM $Na^+$ was required to elicit half-maximal velocity of $Ca^{++}-efflux$. So it was revealed that $Ca^{++}-efflux$ velocity was particulary sensitive to small changes of the $Na^+$ concentration in physiological range. Energy independent $Ca^{++}-binding$ sites of mitochondrial external surface showed unique characteristics. The total number of external $Ca^{++}-binding$ sites of pig heart mitochondria was 29 nmoles per mg protein and the dissociation constant(Kd) was $34{\mu}M$. The $Ca^{++}-binding$ to the external sites seemed to be competitively inhibited by $Na^+\;and\;K^+$; the inhibition constant(Ki) were 9.7 mM and 7.1 mM respectively. Considering the intracellular ion concentrations and large proportion of $Ca^{++}$ uptake in energized mitochondria, the external $Ca^{++}-binding$ pool of the mitochondria did not seem to play a significant role on the regulation of intracellular free $Ca^{++}$ concentration. From this experiment, it was suggested that a small change of intracellular free $Na^+$ concentration might play a role on regulation of free $Ca^{++}$ concentration in cardiac cell by influencing $Ca^{++}-efflux$ from the internal pool of mitochondria.

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평면형리간드가 배위된 trans-백금(Ⅱ) 착물의 항암활성에 관한 이론적 연구 (제2보) (Theoretical Study on Antitumor Activity of trans-Platinum(Ⅱ) Complexes with Planar Ligands (Ⅱ))

  • 송영대;김정성;박병각
    • 대한화학회지
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    • 제41권6호
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    • pp.277-283
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    • 1997
  • 질소를 포함한 평면형리간드가 배위된 백금(II)착물([$Pt(L)_2X_2$]; L=isoxazole(isox), 3,5-dimethylisoxazole(3,5-diMeisox), 3-methyl,5-phenylisoxazole(3-Me,5-Phisox), and 4-amino-3,5-dimethylisoxazole(4-ADI); X=Cl, Br)의 항암활성을 분자역학(MM2)법으로 최소에너지를 갖는 구조를 구한 후 확장분자궤도함수(Extended Huckel Molecular Orbital)법으로 조사하였다. X 원자의 알짜전하 값은 cis-, trans-이성체 모두 평면리간드의 N 원자보다 음의 값으로 크게 나타나서, N 원자보다 X 원자의 이탈이 용이함을 알 수가 있었고, ${\sigma}MO$에너지 준위로 비교한 결과도 $Pt(d_{x2-y2})-X(P_x)$${\sigma}MO$에너지 준위$(E{\sigma}_{(Pt-X)})$$Pt(d_{x2-y2})-N(P_x)$${\sigma}MO$에너지 준위$(E{\sigma}_{(Pt-N)})$보다 예외없이 높아서 Pt-N보다 Pt-X의 결합이 약함을 알 수 있었다. 또한 X 원자의 cis-, trans-이성체에서의 이탈 용이성을 비교하기 위하여 중심금속과 리간드사이의 ${\sigma}MO$에너지준위로 비교한 결과, trans-이성체에서 $Pt(d_{x2-y2})-N(P_x)$${\sigma}MO$에너지준위$(E{\sigma}_{(Pt-X)})$가 cis-이성체에서 보다 예외없이 높아서 결합이 약함을 알 수 있었다. 아울러 같은 착물에서 cis-보다 trans-착물에서 Pt-X의 결합이 약함을 알 수 있었다, 따라서 $X^-$이온으로 떨어져 나가는 용이성과 그 구조변화가 항암활성과 관계가 있을 것으로 생각하였다. 즉, $E{\sigma}_{(P-N)}-E{\sigma}_{(P1-X)}$가 클수록 저해활성 계수 logIA값이 크게 나타나서 실험적 사실과 일치함을 알 수 있었다.

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효율적인 2-Methylisoborneol, Geosmin의 제거를 위한 Pulsed UV 공정과 Ultrasound 공정의 비교 연구 (A Study of Efficient Removal of 2-Methylisoborneol and Geosmin by Pulsed Ultraviolet and Ultrasound)

  • 한종훈;허지용;김강욱;이준영;박원석;이종열;허남국
    • 한국지하수토양환경학회지:지하수토양환경
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    • 제20권4호
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    • pp.1-7
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    • 2015
  • The degradation of off-flavors which is 2-Methylisoborneol (2-MIB) and geosmin by means of ultrasound (US) and pulsed ultraviolet (PUV) irradiation and its combination with catalyst (wire mesh, wire mesh coated TiO2, and TiO2) and additive (H2O2) were investigated via water system. A combination treatment of TiO2 and H2O2 heterogeneity with US (24 kHz) and PUV (6000 W) has shown improved results in destroying 2-MIB and geosmin, which may be attributed to chain reactions by the enhanced formation of hydroxyl radicals (·OH) through H2O2 dissociation and reactive oxide ions of TiO2 addition. Rapid degradation of off-flavors occurred within 2 min under PUV process with H2O2 100 mg/L (81.5% for 2- MIB; 79.3% for geosmin) and TiO2 100 mg/L (83.7% for 2-MIB; 79.8% for geosmin), while compared with H2O2 100 mg/L (58.4% for 2-MIB; 58.0% for geosmin) and TiO2 100 mg/L (59.2% for 2-MIB; 38.5% for geosmin) within 5 min under US process. Surprisingly, the emphasis was given on the comparison with the same injected energies between PUV and US on degradation efficiency. Based on the injected energy comparison, the US provided better degradation performance under equal input power of 200 kJ with H2O2 100 mg/L, while compared with H2O2 100 mg/L under PUV process. Our findings suggest that US can be more effective compared to PUV for the degradation of off-flavors in aspect of energy consumptions.

Dodecyl Pyridinium Bromide 水溶液中의 Micelle과 Counter-Ion 間의 解離-再結合反應에 對한 超音波에 依한 反應速度論的 硏究 (Acustic Study on the Kinetics for the Dissociation-Recombination Reaction between Micelle and Counter-ion in Dodecyl Pyridinium Bromide Solution)

  • 이근무
    • 대한화학회지
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    • 제17권2호
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    • pp.73-79
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    • 1973
  • 界面活性劑 dodecyl pyridinium bromide(D.P.B.) $20^{\circ}C$ 濃度 5∼100mM 水溶液中에서 0.1Mc~90Mc 超音波의 吸收 係數를 測定정하였다. 監 存在 與否에 關係없이 臨界 micelle 濃度(c.m.c.)以上의 濃度에서만 超音波超過 吸收가 觀測되었다. 超音波 吸收 曲線에서 D.P.B.水溶液 60mM附近에 超過 吸收 및 relaxation 振動數의 不連續的인 變化를 觀測하였다. 또 粘性係數, 電氣傳導度, 超音破速度들의 濃度曲線 에서도 같은 濃度에서 不連續的인 變化를 나타낸다. 따라서 이 濃度 附近에서 D.P.B.의 micelle의 性質에 變化가 일어나고 있다고 結論지을 수 있다. 超音波超過 吸收의 mechanism은 $M_2{\rightleftharpoons}M_1+2Br^-$ 反應에 基因됨을 알았다. 여기서 $M_2$,$ M_1$은 다른 型의 micelle이다. 正, 逆方向의 反應速度常數는 各各 $6.9 {\times} 10^5 sec^{-1)$, $6.7{\times}10^{10}sec^{-1}mole{-2}$임이 觀測되었다. 이 反應 mechanism의 自由 에너지, enthalpy, entropy 및 活性化에너지를 算出하였다.

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A Thermodynamic Investigation into the Stabilization of Poly(dA).[poly(dT)]2 Triple Helical DNA by Various Divalent Metal Ions

  • Choi, Byung-Hoon;Yeo, Ga-Young;Jung, Jin-Ah;Lee, Bae-Wook;Han, Sung-Wook;Cho, Tae-Sub
    • Bulletin of the Korean Chemical Society
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    • 제30권11호
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    • pp.2691-2696
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    • 2009
  • Effects of representative group II and transition metal ions on the stability of the $poly(dA){\cdot}[poly(dT)]_2$ triplex were investigated by the van’t Hoff plot constructed from a thermal melting curve. The transition, $poly(dA){\cdot}[poly(dT)]_2\;{\rightarrow}\;poly(dA){\cdot}poly(dT)\;+\;poly(dT)$, was non-spontaneous with a positive Gibb’s free energy, endothermic (${\Delta}H^{\circ}$ > 0), and had a favorable entropy change (${\Delta}S^{\circ}$ > 0), as seen from the negative slope and positive y-intercept in the van’t Hoff plot. Therefore, the transition is driven by entropy change. The $Mg^{2+}$ ion was the most effective at stabilization of the triplex, with the effect decreasing in the order of $Mg^{2+}\;>\;Ca^{2+}\;>\;Sr^{2+}\;>\;Ba^{2+}$. A similar stabilization effect was found for the duplex to single strand transition: $poly(dA){\cdot}poly(dT)\;+\;poly(dT)\;→\;poly(dA)\;+\;2poly(dT)$, with a larger positive free energy. The transition metal ions, namely $Ni_{2+},\;Cu_{2+},\;and\;Zn_{2+}$, did not exhibit any effect on triplex stabilization, while showing little effect on duplex stabilization. The different effects on triplex stabilization between group II metal ions and the transition metal ions may be attributed to their difference in binding to DNA; transition metals are known to coordinate with DNA components, including phosphate groups, while group II metal ions conceivably bind DNA via electrostatic interactions. The $Cd_{2+}$ ion was an exception, effectively stabilizing the triplex and melting temperature of the third strand dissociation was higher than that observed in the presence of $Mg_{2+}$, even though it is in the same group with $Zn_{2+}$. The detailed behavior of the $Cd_{2+}$ ion is currently under investigation.

팔면체형 Fe(Ⅱ)와 Ni(Ⅱ)착물의 실측 리간드화열에 관한 이론적 연구 (Theoretical Study on Observed Heat of Ligation for Iron(Ⅱ) and Nickel(Ⅱ) Octahedral Complexes)

  • 김정성;최진태;송영대;조태섭
    • 대한화학회지
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    • 제43권2호
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    • pp.141-149
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    • 1999
  • Fe(II) 및 Ni(II) 이온에 $NH_3$ 리간드를 배위시켜 분자역학(MM2)법으로 최소에너지를 갖는 구조를 구한 후 확장분자궤도함수(EHMO)법 및 ZINDO/1법으로 양자화학적 양을 얻어 실험적 사실과 비교 검토하였다. 즉, 팔면체인 $[M(H_2O)_{6-x}(NH_3)_x]^{2+}(M=Fe(II),\;Ni(II)(x=0,\;1,\;…,\;6)에서 $NH_3$ 분자가 $H_2O$ 분자와 단계적으로 치환될 때에 따른 실측리간드화열이 MO 이론으로 계산한 팔면체형인 Fe(II)및 Ni(II)착물의 양자화학적 양인 중심금속의 알짜전하, 형성엔탈피, 총결합에너지로부터 실측 리간드화열$({\Delta}H_{obs})$을 이론적으로 예측할 수 있는 ${\Delta}H_{obs}=-0.2858_{qFe}+0.8813(r=0.97),\;{\Delta}H_{obs}=-0.8981_{qNi}+1.7929(r=0.95),\;{\Delta}H_{obs}=-0.0031H_{f(Fe)}+0.5725(r=0.97),\;{\Delta}H_{obs}=-0.0095H_{f(Ni)}+0.9193(r=0.97),\;{\Delta}H_{obs}=0.0476E_{diss(Fe)}+0.6434(r=0.94),\;{\Delta}H_{obs}=0.1401E_{diss(Ni)}+1.1393(r=0.93)$인 이론식을 각각 얻었다.

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