• 제목/요약/키워드: Polarity parameter

검색결과 41건 처리시간 0.021초

Artificial Neural Network Prediction of Normalized Polarity Parameter for Various Solvents with Diverse Chemical Structures

  • Habibi-Yangjeh, Aziz
    • Bulletin of the Korean Chemical Society
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    • 제28권9호
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    • pp.1472-1476
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    • 2007
  • Artificial neural networks (ANNs) are successfully developed for the modeling and prediction of normalized polarity parameter (ETN) of 216 various solvents with diverse chemical structures using a quantitative-structure property relationship. ANN with architecture 5-9-1 is generated using five molecular descriptors appearing in the multi-parameter linear regression (MLR) model. The most positive charge of a hydrogen atom (q+), total charge in molecule (qt), molecular volume of solvent (Vm), dipole moment (μ) and polarizability term (πI) are input descriptors and its output is ETN. It is found that properly selected and trained neural network with 192 solvents could fairly represent the dependence of normalized polarity parameter on molecular descriptors. For evaluation of the predictive power of the generated ANN, an optimized network is applied for prediction of the ETN values of 24 solvents in the prediction set, which are not used in the optimization procedure. Correlation coefficient (R) and root mean square error (RMSE) of 0.903 and 0.0887 for prediction set by MLR model should be compared with the values of 0.985 and 0.0375 by ANN model. These improvements are due to the fact that the ETN of solvents shows non-linear correlations with the molecular descriptors.

Determination of Microviscosity and Location of 1,3-Di(1-pyrenyl) propane in Brain Membranes

  • Kang, Jung-Sook;Kang, In-Goo;Yun, Il
    • Archives of Pharmacal Research
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    • 제20권1호
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    • pp.1-6
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    • 1997
  • We determined the microviscosity of synaptosomal plasma membrane vesicles (SPMV) isolated from bovine cerebral cortex and liposomes of total lipids (SPMTL) and phospholipids (SPMPL) extracted from SPMV. Changes in the microviscosity induced by the range and rate of lateral diffusion were measured by the intramolecular excimerization of 1, 3-di(1-pyrenyl)propane (Py-3-Py). The microviscosity values of the direct probe environment in SPMV, SPMTL and SPMPL were 38.17, 31.11 and 27.64 cP, respectively, at$37^{\circ}C$and the activation energies $(E_a)$ of the excimer formation of Py-3-Py in SPMV, SPMTL and SPMPL were 8.236, 7.448 amd 7.025 kcal/mol, respectively. Probe location was measured by polarity and polarizability parameters of the probe Py-3-Py and probe analogues, pyrene, 1-pyrenenonanol and 1-pyrenemethyl-3${\beta}$-hydroxy-22, 23-bisnor-5-cholenate (PMC), incorporated into membranes or solubilized in reference solvents. There existed a good linear relationship between the first absorption peak of the $^1_a$ band and the polarizability parameter $(n^{2}-1)/(2n^{2}+1)$.The calculated refractive index values for SPMV, SPMTL and SPMPL were close to 1.50, which is higher than that of liquid paraffin (n=l.475). The probe location was also determined by using a polarity parameter $(f-1/2f^{I})$. Here f=$({\varepsilon}-1)/(2{\varepsilon}+1)$ is the dielectric constant function and $f^I=(n^2-1)/(2n^2+1)$ is the refractive index function. A correlation existed between the monomer fluorescence intensity ratio and the solvent polarity parameter. The probes incorporated in SPMV, SPMTL, and SPMPL report a polarity value close to that of 1-hexanol $({\varepsilon}=13.29)$. In conclusion, Py-3-Py is located completely inside the membrane, not in the very hydrophobic core, but displaced toward the polar head groups of phospholipid molecules, e.g., central methylene region of aliphatic chains of phospholipid molecules.

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Influence of SF6/N2 Gas Mixture Ratios on the Lightning Streamer Propagation Characteristics of 22 kV MV Circuit Breaker

  • Gandhi, R.;Chandrasekar, S.;Nagarajan, C.
    • Journal of Electrical Engineering and Technology
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    • 제13권4호
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    • pp.1663-1672
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    • 2018
  • In recent times, gas insulated medium voltage (MV) circuit breakers (CB) form a vital component in power system network, considering its advantages such as reduced size and safety margins. Gas insulation characteristics of circuit breakers are generally measured by lightning impulse (LI) test according to IEC standard 60060-1 as a factory routine test. Considering the environmental issues of $SF_6$ gas, many research works are being carried out towards the mixture of $SF_6$ gases for high voltage insulation applications. However, few reports are only available regarding the LI withstand and streamer propagation characteristics (at both positive and negative polarity of waveform) of $SF_6/N_2$ gas mixture insulated medium voltage circuit breakers. In this paper, positive and negative polarity LI tests are carried out on 22 kV medium voltage circuit breaker filled with $SF_6/N_2$ gas mixture at different gas pressures (1-5 bar) and at different gas mixture ratios. Important LI parameters such as breakdown voltage, streamer velocity, time to breakdown and acceleration voltage are evaluated with IEC standard LI ($1.2/50{\mu}s$) waveform. Weibull distribution analysis of LI breakdown voltage data is carried out and 50% probability breakdown voltage, scale parameter and shape parameter are evaluated. Results illustrate that the $25%SF_6+75%N_2$ gas filled insulation considerably enhances the LI withstand and breakdown strength of MV circuit breakers. LI breakdown voltage of circuit breaker under negative polarity shows higher value when compared with positive polarity. Results show that maintaining the gas pressure at 0.3 MPa (3 bar) with 10% $SF_6$ gas mixed with 90% $N_2$ will give optimum lighting impulse withstand performance of 22 kV MV circuit breaker.

폴리에틸렌-n-헥산-벤젠계에 대한 투과속도와 용해도 파라메타 사이의 관계 (The Relationship Between the Permeation Rate and the Solubility Parameter for Polyethylene-n-Hexane-Benzene System in Pervaporation)

  • Rhim, Ji-Won
    • 멤브레인
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    • 제3권3호
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    • pp.136-139
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    • 1993
  • It is well known that the membrane permeation in pervaporation is governed by both the chemical nature of the membrane material and the physical structure of the membrane and also the separation can be achieved by differences in either solubility, size or shape. The solubility of the penerrant in the polymeric membrane can be described qualitively by applying the Hildebrand relation [1] which relates the energy of mixing of the penerrant and the polymer material. Froehling et al. have tried to predict the swelling behavior of polymers for the systems of polyvinylchloride(PVC)-toluene-methanol, PVC-trichloroethylene-nitromethane and PVC-n-butylacetate-nitromethane[2]. The former two systems which do not show the donor/acceptor interactions upon mixing showed the successful results[2]. In addition to this technique, there are several other possible approaches to predict the swelling behaviors of polymers, such as the surface thermodynamic approach[3, 4], the comparison of the membrane polarity with the solvent polarity in terms of Dimroth's solvent polarity value[5].

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Solubilization of Oleanolic Acid and Urolic Acid by Cosolvency

  • Jin, In-Jung;Ko, Young-Ill;Kim, Young-Mi;Han, Suk-Kyu
    • Archives of Pharmacal Research
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    • 제20권3호
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    • pp.269-274
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    • 1997
  • Solubilities of oleanolic acid and ursolic acid in aqueous surfactant solutions, liquid polyethylene glycols (PEG), and solvents of various polarity were measured. The results showed that the solutes were slightly or moderately solubilized in the surfactant solutions and the liquid PEGS. It was also revealed that the solutes were slightly soluble in the solvent of either extreme polarity or nonpolarity, but moderately soluble in solvents of intermediate polarity of which solubility parameters are around 10. The solubility parameters of these solutes were calculated from the group contribution to be 10.2 for both of them. Of the solvents tested, tetramethylurea was exceptionally effective in solubilizing the solutes. The solutes were also moderately soluble in the aqueous cosolvents containing tetramethylurea. This suggests that the mixed systems of tetramethylurea could be employed for the solubilization in the formulation of these compounds as an aqueous system.

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크로마토그래피용 O-Diethylaminoethyl Chitosan의 합성; I. 단백질의 분리 (Synthesis of O-Diethylaminoethyl Chitosan for Chromatography; I. Separation of Protein)

  • 박창규;이영무;김진홍;정창남
    • 공업화학
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    • 제4권3호
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    • pp.583-590
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    • 1993
  • 키토산 유도체 중 약한 음이온 교환기를 갖는 O-Diethylaminoethyl 키토산을 제조하여, 이를 크로마토그래피의 고정상으로 이용하여 생체단백질의 하나이며 등전점이 서로 다른 알부민과 라이소자임의 분리에 응용하였다. 우선 산성 염료와 염기성 염료를 이용하여 고정상으로서의 응용 가능성을 검토하였고 용매에 의한 극성효과도 검토하였다. 이것을 토대로 하여 크로마토그래피의 분리에 미치는 제반인자를 구하였다. 용매로써는 물과 메탄을 공용매를 사용하였고 이 경우 극성값이 증가할수록 분리능이 증가하였으며 가장 좋은 분리능은 치환도가 0.23인 경우 분리도가 1.42였다.

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정밀저항시리즈 점용접에서 너깃의 대칭성에 미치는 공정변수의 영향 (The Effect of Process Parameter on the Symmetry of Nugget in Micro-resistance Series Spot Welding)

  • 조상명;김송미
    • Journal of Welding and Joining
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    • 제19권6호
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    • pp.622-629
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    • 2001
  • The aim of this experiment is to establish the method that obtains symmetrically two nuggets in microresistance series spot welding. The sheets of austenite stainless steel STS304 applied to various electronic parts were experimented by the inverter welding power source of polarity controllable type and by the twin head for left and right electrode force to be controlled separately. The experimental results were obtained as follows : 1) When series spot welding was carried out by DC 1 pulse as welding current with same electrode force at left and right, the asymmetry of nuggets was resulted from the larger nugget of the (-) pole because of the Peltier effect. The dynamic resistance of weld spot at left and right was appeared differently according to the growth of nuggets. 2) When AC 1 cycle by welding power source of polarity controllable type was applied, the nuggets were almost symmetrically formed. 3) In a twin head, if the electrode force of (-) pole was larger than that of (+) pole, the diameters of two nuggets became to same. It was confirmed that the dynamic resistance of (-) pole was decreased to the same level as it of (+) pole. 4) Although the forces of left and right electrode were same, and only DC 1 pulse was applied, symmetric nuggets were obtained if the conductivity of (+) pole was lower than it of (-) pole.

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Estimation of Ground and Excited State Dipole Moments of Coumarin 450 by Solvatochromic Shift Method

  • Naik, L.R.;Math, N.N.
    • Journal of Photoscience
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    • 제12권2호
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    • pp.57-61
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    • 2005
  • The ground and excited state dipole moments of Coumarin 450 (C 450) laser dye were measured at room temperature in several solvents of varying dipole moments. The ground state dipole moment (${\mu}_g$) is estimated by using the modified Onsagar model and the excited state dipole moments (${\mu}_e$) were estimated by the method of solvatochromism as well as by utilizing the microscopic solvent polarity parameter ($E^N_T$). Further, the deviation of some of the points from the linearity of the $E^N_T$ versus Stokes shift indicates the existence of specific type of solute-solvent interaction. The excited state dipole moment of C 450 were found to be higher than those of the ground state and is interpreted in terms of the resonance structure of the molecule. A reasonable agreement has been observed between the values obtained by the method of solvatochromism and modified Onsagar model. It is observed that, corresponding to cyclohexane solution, the fluorescence maxima shift towards the red region with increasing the polarity of the solvents, hence the transition involved are of ${\pi}-{\pi}^*$ type.

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Transport Properties of Crosslinked Poly Vinyl Alcohol Membrane in Pervaporation

  • Lee, Chul-Haeng;Hong, Won-Hi
    • 한국막학회:학술대회논문집
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    • 한국막학회 1996년도 추계 총회 및 학술발표회
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    • pp.92-93
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    • 1996
  • PVA membrane was widely used in the dehydration pervaporation process. PVA membrane showed remakable selectivity towed water and an excellent film-forming polymer, with a good resistance to orgamic solvents but it has poor stability in aqueous mixtures. Generally the PVA is manufactured by the hydrolysis reaction from poly vinyl acetate(PVAc) and so the degree of PVA hydrolysis is a major parameter for properties of PVA membrane such as the crystallinity and polarity.

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수용성 미셀용액에서 몇 가지 안트라센 유도체의 가용화 및 감광화 성질 (Solubilization and Photosensitizing Properties of Some Anthracene Derivatives in Aqueous Micellar Solutions)

  • 고정수;한동설;오형식;박병관;김종현;오세웅
    • 대한화학회지
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    • 제35권5호
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    • pp.452-460
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    • 1991
  • 메탄올-물 혼합용매 및 수용성 CTAB, SDS 용액에서 2-에틸안트라센[2-EA]과 9-페닐안트라센[9-PA]에 빛을 조사하는 동안 1,3-디페닐이소벤조푸란[DPBF]이 감소되는 것으로부터 이 반응에 단일항 산소$(^1O_2)$가 관여된다는 화학적 증거를 얻었다. 용매의 극성에 민간함 UV 분광학적 특성을 이용하여 2-EA와 9-PA의 평균미세환경의 극성을 조사하였다. 2-EA와 9-PA가 수용성 CTAB, SDS 및 Brij 35 용액에 가용화될 때 그들의 평균 미세환경은 극성이었으며, 미세환경의 극성 파라미터는 미셀의 이온성에 영향을 받지 않았다. 2-EA의 평균 미세환경의 극성은 40%(w/w) 에탄올 수용액의 극성과 비슷했으며, 9-PA의 경우는 30%(w/w)와 40%(w/w) 사이의 에탄올 수용액의 극성과 비슷했다. 이들 화학종들이 수용성 미셀용액에 가용화될 때 대부분 미셀의 표면에 분포할 것이라는 것을 알았다. 여러 용매에서 2-EA와 9-PA의 광증감능을 검토하였다. 메탄올-물 혼합용매가 수용성 미셀용액보다 광산화반응에 유리한 것으로 나타났다.

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