• Title/Summary/Keyword: Derivative spectra

Search Result 149, Processing Time 0.023 seconds

Modern Pretreatment methods in NIR Spectroscopy

  • Yukiteru Katsumoto;Jian Hui Jiang R.;James Berry;Yukihiro Ozaki
    • Near Infrared Analysis
    • /
    • v.2 no.1
    • /
    • pp.29-36
    • /
    • 2001
  • This review paper outlines modern pretreatment methods used in NIR spectroscopy. The pretreatment methods can be divided into four categories. One method in is noise reduction. Smoothing is a representative method for the noise reduction. Another is baseline correction. The second derivative and multiplicative scatter correction (MSC) are most frequently employed for baseline correction. The third is centering and normalization and the last is resolution enhancement. Difference spectra, mean centering and second derivative are used in NIR spectroscopy as resolution enhancement methods. In this paper advantages and drawbacks of pretreatment methods currently used in NIR spectroscopy are discussed with many examples of NIR spectra.

PRELIMINARY STUDY ON NIR SPECTRA OF RETROGRADED STARCH

  • Terazawa, Yoko;Maekawa, Takaaki;Kawano, Sumio
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
    • /
    • 2001.06a
    • /
    • pp.1515-1515
    • /
    • 2001
  • Retrogradation of starch is one of important quality indexes for food based on starch such as rice. Therefore, in this research, possibility of near infrared spectroscopy to determine the degree of the retrogradation was examined. The degree of the retrogradation was indicated as the degree of geratinization analyzed by BAP(-amylase-pullulanase) method. 20 samples which have a wide range of the degree of the retrogradation were prepared and the NIR spectra of the samples were measured in reflectance mode with the NIR Systems 6500. In the correlation plots calculated from the 2nd derivative values of the MSC treated spectra and the degree of the geratinization, the major negative peaks of 1544 nm and 2258 nm, and the major positive peaks of 1460 nm, 1602 nm, 1766 nm and 2136 nm could be observed, indicating that NIR absorption at the positive peak wavelengths became strong while the absorption at the negative peak wavelengths became weak as the degree of the retrogradation increased. Because there is negative correlation between the degree of the retrogradation and the degree of the geratinization. As a result of MLR using the 2nd derivative values of the MSC treated spectra and the degree of the geratinization, good calibration equation which include 2258 nm as the first wavelength and 1764 nm as the second one could be obtained, indicating that NIR spectroscopy has a possibility to detect the retrogradation of starch. In order to find the assignment of the bands observed in the correlation plots, further study may be needed.

  • PDF

A Study for the LB Film Deposition of Azobenaene Derivative (Azobenzene 유도체의 LB막 누적을 위한 기초 연구)

  • Lee, Chang-Keun;Choi, Kang-Hoon;Shin, Dong-Myung;Kang, Don-Yol
    • Proceedings of the KIEE Conference
    • /
    • 1994.07b
    • /
    • pp.1376-1378
    • /
    • 1994
  • Azobenzene derivative is so stiff that monolayer cannot be formed on the subphase. To form a monolayer on the subphase, azobenzene derivative was mixed arachidic acid. It didn't form a monolayer, either. The mixture of azobenzene derivative and L-${\alpha}$-phosphatidylcholine generated a monolayer on the wafer subphase. Thickness of LB film layered at 30 mN/m was about $70{\AA}$. The polarized UV-visible absorption spectra of the mixture exhibited a dichroic ratio of azobenzene derivative and L-${\alpha}$-phosphatidylcholine.

  • PDF

A Study of the Development of CVD Precursors III-Synthesis and Properties of New Lead $\beta$-diketonate Derivatives

  • 임종태;이중철;이완인;이익모
    • Bulletin of the Korean Chemical Society
    • /
    • v.20 no.3
    • /
    • pp.355-361
    • /
    • 1999
  • To improve the volatility and stability of lead complexes, the principle of stabilization by saturating the metal coordination sphere by intramolecular coordination through a β-diketonates with an ethereal group has was tested. Several new lead complexes with alkoxyalkyl-substituted β-diketonates, Pb(R1C(O)CHC(O)(CH2)3OR2)2(Rl=t-Bu, Me, OMe, i-Pr, R2=Me, Et), or carboxylate, Pb(OC(O)(CH2)3OEt)2, were prepared by the reaction between Pb(OAc)2 and corresponding alkoxyalkyl-substituted β-diketonates, and they were found to have a viscous liquid phase. The nature of the head (β-diketonate or carboxylate) or tails and substituents of β-diketonates appeared not to be important for the formation of the liquid phase. It is worth mentioning that Pb(OAc)2, which has limited use due to its low solubility, was successfully adopted as a starting material for the preparation of new lead complexes. Easy hydrolysis, reaction with HCl, and 13C NMR spectra indicated that tail portions were not coordinated to the metal as a copper derivative, Cu(t-BuC(O)CHC(O)(CH2)3OMe)2. All these complexes were not volatile enough for the MOCVD experiments, but a methyl derivative, Pb(MeC(O)CHC(O)(CH2)3OEt)2, showed some sublimation. The methoxy derivative, Pb(MeOC(O)CHC(O)(CH2)3OEt)2, was thermally unstable due to possible equilibrium between species coordinating with a keto oxygen atom and an ethereal atom of a methoxy group, which was confirmed by IR and 13C NMR spectra.

Comparison of Performance of Models to Predict Hardness of Tomato using Spectroscopic Data of Reflectance and Transmittance (토마토 반사광과 투과광 스펙트럼 분석에 의한 경도 예측 성능 비교)

  • Kim, Young-Tae;Suh, Sang-Ryong
    • Journal of Biosystems Engineering
    • /
    • v.33 no.1
    • /
    • pp.63-68
    • /
    • 2008
  • This study was carried out to find a useful method to predict hardness of tomato using optical spectrum data. Optical spectrum of reflectance and transmittance data were collected processed by 9 kind of preprocessing methods-normalizations of mean, maximum and range, SNV (standard normal variate), MSC (multiplicative scatter correction), the first derivative and second derivative of Savitzky-Golay and Norris-Gap. With the preprocessed and non-processed original spectrum data, prediction models of hardness of tomato were developed using analytical tools of PLS (partial least squares) and MLR (multiple linear regression) and tested for their validation. The test of validation resulted that the analytical tools of PLS and MLR output similar performances while the transmittance spectra showed much better result than the reflectance spectra.

Solution-Processible Blue-Light-Emitting Polymers Based on Alkoxy-Substituted Poly(spirobifluorene)

  • Lee, Jeong-Ik;Chu, Hye-Yong;Oh, Ji-Young;Do, Lee-Mi;Lee, Hyo-Young;Zyung, Tae-Hyoung;Lee, Jae-Min;Shim, Hong-Ku
    • ETRI Journal
    • /
    • v.27 no.2
    • /
    • pp.181-187
    • /
    • 2005
  • Alkoxy-substituted poly(spirobifluorene)s and their copolymers with a triphenylamine derivative have been synthesized by Ni(0)-mediated polymerization. The polymers were well soluble in common organic solvents. Pure blue-light emissions without the long wavelength emission of poly(fluorene)s have been observed in the fluorescence spectra of polymer thin films. The light emitting diodes with a device configuration of ITO/PEDT:PSS(30 nm)/polymer(60 nm)/LiF(1 nm)/Al(100 nm) have been fabricated. The electroluminescence spectra showed the blue emissions without the long wavelength emission as observed in the fluorescence spectra. The relatively poor electroluminescence quantum yield of the homopolymer (0.017% @ 20 $mA/cm^{2}$) with color coordinates of (0.16, 0.07) has been improved by the introduction of triphenylamine moiety, and the copolymer with derivative exhibited an electroluminescence quantum yield of 0.15 % at 20 $mA/cm^{2}$ with color coordinates of (0.16, 0.08). Moreover, the introduction of polar side chains to the spirobifluorene moiety enhanced the device performance and led to the quantum yields of 0.6 to 0.7 % at 20 $mA/cm^{2}$, although there was some expense of color purities.

  • PDF

Simultaneous Derivative Spectrophotometric Determination of Levodopa and Carbidopa in Pharmaceutical Preparations

  • Madrakian, T.;Afkhami, A.;Borazjani, M.;Bahram, M.
    • Bulletin of the Korean Chemical Society
    • /
    • v.25 no.12
    • /
    • pp.1764-1768
    • /
    • 2004
  • The present work reports on the investigations based on the interaction of sodium hydroxide with catechol derivatives. The first derivative spectra allowed the simultaneous determination of levodopa and carbidopa. The calibration graph was constructed from the first derivative signals by measuring $^1D$ at 350 nm for standard samples containing between 3 and 30 mg $L^{-1}$ of levodopa and at 305 nm for standard samples containing between 3 and 80 mg $L^{-1}$ of carbidopa. This method offers the advantages of simplicity, rapidity, selectivity and higher sensitivity than most of the existing spectophotometric methods.

Effect of Acetylation on Conformation of Glycinin (아세틸화가 Glycinin의 구조에 미치는 영향)

  • Kim, Kang-Sung;Rhee, Joon-Shick
    • Korean Journal of Food Science and Technology
    • /
    • v.21 no.5
    • /
    • pp.714-720
    • /
    • 1989
  • Effects of acetylation on conformational changes of glycinin was studied using solvent perturbation, second derivative spectroscopy, near uv circular dichroism spectra and viscosity. Glycinin with purity of more than 93% was used for the experiment. Modification was carried out with acetic anhydride and glycinin with lysine residue modification of 0%, 28%, 65%, 85%, and 95% were used for the experiment. The result of solvent perturbation using some selected perturbants, such as glycerol, ethylene glycol, and dimethyl sulfoxide revealed that acetylation has caused increase In solvent accessibility of tyrosine residues from less than 40% in native protein to more than 70% for 95% acetylated glycinin. This was confirmed by second derivative spectroscopy. Near ultraviolet circular dichroism revealed that the spectra of native and acetylated glycinin were almost identical differing only in intensity and no other useful information could be derived from it. However, in the case of 95% acetylated glycinin the influence of tryptophan on the spectrum was more pronounced Specific viscosity of glycinin also increased by modification, the extent of which depended upon the degree of acetylation. These results supported that acetylation had caused globular conformation of glycinin to be expanded and denatured.

  • PDF

Picosecond Fluorescence Lifetimes of Hematoporphyrin Derivatives in Solutions and in vitro (용액 및 시험관 실험에서의 헤마토포르피린 유도체 분자의 피코초 형광수명시간 분석)

  • Kim, Hyun-Soo;Chu, Sung-Sil;Kim, Gwi-Eon;Lee, Won-Young;Kim, Ung
    • Progress in Medical Physics
    • /
    • v.6 no.2
    • /
    • pp.61-70
    • /
    • 1995
  • The picosecond time resolved fluorescence spectra of Hematoporphyrin Derivative (HPD) in both solutions and cancer cell are measured by a time correlated single photon counting system with a synchronously mode locked dye laser. Two exoponential decay components in the fluorescence spectra were observed. The slow decay(6.3 ㎱)and the fast one(350 ㎰)are attributed to be originated from monomers and dimers, respectively. The absorption and fluorescence measurements in steady state also showed the presence of a monomeric and dimeric forms of HPD molecules. The monomer lifetime in the cancer cell was measured to be longer than that in solution, which was expected from the blue shift and narrowing of the absorption spectra for HPD-treated in vitro. The relative amplitude of the fast component was found to be enhanced in cancer cell, strongly indicating the higher affinity of the dimer for the cancer cell.

  • PDF

Molecular Interacion of Riboflavin and Orotic Acid Derivatives (Riboflavin과 Orotic Acid Derivative와의 분자간 상호작용)

  • 유병설;이상종;정서영;김양배;김종국
    • YAKHAK HOEJI
    • /
    • v.23 no.2
    • /
    • pp.63-68
    • /
    • 1979
  • Biopbysical investigation has been carried out for the interaction of riboflavin tetraacetate and an orotic acid derivative to know the binding mechanism between dihydroorotate dehydrogenase and dihydroorotic acid which are concerned with the oxidoreduction in vivo. Infrared and nuclear magnetic resonance spectra were measured for the chloroform solution of riboflavin tetraacetate, orotic acid butyl ester and its same mixture. Orotic acid butyl ester has been found to associate with riboflavin tetraacetate. They form a strong complex with each other. The complex is an 1:2 cyclic hydrogen bonded trimer through the imino and 2-C carbonyl groups of the isoalloxazine ring and the imino groups of the orotic acid derivative.

  • PDF