• Title/Summary/Keyword: Chirality

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Power Reflection and Transmission Coefficients for Meander-Line Polarizers with a Chiral Slab

  • Delihacioglu, Kemal;Uckun, Savas
    • ETRI Journal
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    • v.25 no.1
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    • pp.41-48
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    • 2003
  • This paper presents a theoretical investigation of power reflection and transmission coefficients for a meander-line polarizer placed periodically on a chiral slab. It is assumed that a linearly polarized transverse magnetic wave is incident on a chiral slab from the air region. In the analysis, we derive the electric and magnetic fields in the modal form in the air and chiral regions. We obtain power reflection and transmission coefficients in a straightforward manner after matching the tangential components of the electric and magnetic fields at the boundaries. We present numerical results for the power reflection and transmission coefficients versus frequency and incident angle for different values of the chirality admittance. A meander-line polarizer placed on a dielectric slab can convert a linearly polarized wave to a circularly polarized wave. The design parameters for a meander-line polarizer are the dimensions of the meander-line and the values of the dielectric slab. Replacing a dielectric slab with a chiral slab introduces a new independent parameter which controls the wave polarization.

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Substituent Effects on Conformational Changes in (+)-CSA Doped Polyaniline Derivatives

  • Lee, Eung;Kim, Eunok
    • Bulletin of the Korean Chemical Society
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    • v.34 no.7
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    • pp.2111-2116
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    • 2013
  • This paper reports substituent effects on the conformational changes in polyaniline (PAni) derivatives. PAni, poly-o-toluidine (POT), and poly-o-anisidine (POA) were formed by potentiodynamic electropolymerization in aqueous solution containing (+)-camphorsulfonic acid (CSA) as a dopant. UV-Vis spectroscopy and cyclic voltammetry measurements revealed that the methyl group showed a greater steric hindrance than the methoxy group. Further, the doping level decreased with increasing steric hindrance. The sign pattern of the circular dichroism (CD) bands for POA was opposite to that for PAni. However, no CD bands were observed in POT. The steric hindrance caused helical inversion, but at a high level of steric hindrance, the helical conformation could not be adopted, because of the reduced doping level. The reduced crystallinity was greatly affected by the decreased doping level. The steric effect influenced the polymer conformation and the doping level, thus determining the optical activity, morphology, and crystallinity of the PAni derivatives.

Headspace Hanging Drop Liquid Phase Microextraction and GC-MS for the Determination of Linalool from Evening Primrose Flowers

  • Kim, Nam-Sun;Jung, Mi-Jin;Yoo, Zoo-Won;Lee, Sun-Neo;Lee, Dong-Sun
    • Bulletin of the Korean Chemical Society
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    • v.26 no.12
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    • pp.1996-2000
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    • 2005
  • Headspace hanging drop liquid phase micro-extraction (HS-HD-LPME) is studied as a novel solvent-based sample pretreatment method for floral volatile aroma compounds. This paper reports on application of the HSHD- LPME combined with GC-MS for the analysis of linalool component emitted from evening primrose flowers. The effect of several variables on the method performance was investigated. Additionally, the separation of enantiomers on a cyclodextrin capillary column was performed to identify chirality of (−)-linalool component. Since the unsurpassed volume of a few micro-liters of solvent is used, there is minimal waste or exposure to toxic organic solvents. This method enables to combine extraction, enrichment, clean-up, and sample introduction into a single step prior to the chromatographic process.

Nickel Complexes of Alanine Having a Preference for One Chiral Form over Another upon Crystallization

  • Khatib, Awni;Aqra, Fathi
    • Bulletin of the Korean Chemical Society
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    • v.30 no.9
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    • pp.2017-2020
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    • 2009
  • Three complexes, [bis(L-, D- and DL-alaninato)(diaqua)]nickel(II) di-hydrate, were prepared and characterized by X-ray crystallography, gas chromatography, UV-Visible spectroscopy and isothermal calorimetry. Small deviations from the 50:50 distribution of the enantiomers assigned to chiral preferences of the ligands in the complexes were observed. The surprising and unexpected results indicate that complexing alanine with nickel(II) ion alters the racemization rates of D and L isomers of the amino acid. The precipitated complex due to change in pH resulted in preferential precipitation of one isomer with respect to the other. It has been observed that this alternation is ogmented by the long time span which would result in preferential protein forming from the L-isomer. Although the results are bizarre and perplexing, they are fascinating and sound scientifically.

Hologram Based QSAR Analysis of Xanthine Oxidase Inhibitors

  • Sathya., B
    • Journal of Integrative Natural Science
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    • v.10 no.4
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    • pp.202-208
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    • 2017
  • Xanthine Oxidase is an enzyme, which oxidizes hypoxanthine to xanthine, and xanthine to uric acid. It is widely distributed throughout various organs including the liver, gut, lungs, kidney, heart, brain and plasma. It is involved in gout pathogenesis. Hence, in the present study, Hologram based Quantitative Structure Activity Relationship Study was performed on a series of Xanthine Oxidase antagonist named 2-(indol-5-yl) thiazole derivatives. The best HQSAR model was obtained using Atoms, Bonds, Connection, Hydrogen, Chirality and Donor Acceptor as fragment distinction parameter using hologram length 71 and 4 components with fragment size of minimum 2 and maximum 5. Significant cross-validated correlation coefficient ($q^2$= 0.563) and non cross-validated correlation coefficients ($r^2$= 0.967) were obtained. The model was then used to evaluate the six external test compounds and its $r^2{_{pred}}$ was found to be 0.798. Contribution map show that presence of propyl ring in indole thiazole makes big contributions for improving the biological activities of the compounds. We hope that our HQSAR model and analysis will be helpful for future design of xanthine oxidase antagonists.

Synthesis and Chiro-Optical Properties of Water Processable Conducting Poly(diphenylamine) Nanocomposites

  • Showkat, Ali Md;Lee, Kwang-Pill;Gopalan, Anantha Iyengar;Kim, Sang-Ho
    • Macromolecular Research
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    • v.15 no.6
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    • pp.575-580
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    • 2007
  • Water-soluble, chiral conducting, poly(diphenylamine) (PDPA) nanocomposites were synthesized by chemical oxidative polymerization of diphenylamine in the presence of poly(acrylic acid) (PAA) as a template and camphor sulphonic acid (CSA) as the chiral inductor, Composites were formed as stable aqueous dispersions under different experimental conditions, such as DPA to PAA molar ratios, PAA molecular weight, etc. Circular dichroism(CD) spectra of the composites indicated the induction of chirality to PDPA. Compared to simple chiral PANI, the PDPA/PAA/CSA nanocomposites showed a different Cotton effect. The appearance of a CD band in the composite was complimentary to the bisignate, exciton-coupled band in the UV-Visible spectrum. FTIR spectra indicated the intimate mixing of PDPA and PAA.

Molecular Dynamics Simulations on the Mechanical Behavior of Carbon Nanotube (탄소나노튜브의 역학적 거동에 관한 분자동역학 전산모사)

  • Park, Jong-Youn;Lee, Young-Min;Jun, Suk-Ky;Kim, Sung-Youb;Im, Se-Young
    • Proceedings of the KSME Conference
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    • 2003.04a
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    • pp.1083-1088
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    • 2003
  • Molecular dynamics simulations on the deformation behavior of single-walled carbon nanotube are performed. Formation energies of CNT's by interatomic potentials are computed and compared with ab initio results. Bending and axial compression are applied under lattice statics and NVT ensemble conditions. Specifically, we focus on the mechanism of kink formation in bending. The simulation results are comprehensively explained in the framework of atomistic energetics. The effects of temperature and chirality on the deformation of carbon nanotube are also studied.

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Hologram Quantitative Structure Activity Relationship Analysis of JNK Antagonists

  • Kulkarni, Seema A.;Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
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    • v.8 no.2
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    • pp.81-88
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    • 2015
  • c-Jun N-terminal kinase-3 (JNK3) is a member of the mitogen-activated protein kinase family (MAPK), and plays an important role in neurological disorders. Therefore, identification of selective JNK3 inhibitor may contribute towards neuroprotection therapies. In this work, we performed hologram quantitative structure-activity relationship (HQSAR) on a series of thiophene trisubstituted derivatives. The best predictions were obtained for HQSAR model with $q^2=0.628$ and $r^2=0.986$. Statistical parameters from the generated QSAR models indicated the data is well fitted and have high predictive ability. HQSAR result showed that atom, bond and chirality descriptors play an important role in JNK3 activity and also shows that electronegative groups is highly favourble to enhance the biological activity. Our results could be useful to design novel and selective JNK3 inhibitors.

Micro-Raman characterization of isolated single wall carbon nanotubes synthesized using Xylene

  • Choi, Young Chul
    • Carbon letters
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    • v.14 no.3
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    • pp.175-179
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    • 2013
  • Isolated single wall carbon nanotubes (SWCNTs) were synthesized by chemical vapor deposition (CVD) using a liquid precursor (xylene) as a carbon source. Transmission electron microscopy (TEM) and atomic force microscopy confirmed the isolated structure of the SWCNTs. Micro-Raman measurements showed a tangential G-band peak ($1590cm^{-1}$) and radial breathing mode (RBM) peaks ($150-240cm^{-1}$). The tube diameters determined from the RBM frequencies are in good agreement with those obtained from TEM. The chirality of the isolated SWCNTs could be determined based on the energy of the laser and their diameter. A further preliminary study on the nitrogen doping of isolated SWCNTs was carried out by the simple use of acetonitrile dissolved in the precusor.

Fabrication and characterization of polysulfone ultrafiltration membrane using polyethylene glycol and tartaric acid: morphology and performance in protein separation

  • Sharma, N.;Purkait, M.K.
    • Membrane and Water Treatment
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    • v.8 no.6
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    • pp.591-612
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    • 2017
  • Increase in the hydrophilicity (HPCT) of polysulfone (PS) membrane and subsequently decrease in fouling can be achieved by surface modification of PS based membranes. Therefore, in this work, ultrafiltration membranes with increased HPCT were prepared using the enantiomeric tartaric acid (D-TA) and racemic tartaric acid (DL-TA). Phase inversion technique was used for the preparation of polyethylene glycol and TA blended PS membrane. Morphological analysis of the fabricated membranes was done by scanning electron microscope and atomic force microscopy. Bovine serum albumin (BSA) solution was taken for finding the permeation and rejection behavior of prepared membranes. Maximum BSA rejection was increased by 70.5% for the modified membrane.