• Title/Summary/Keyword: Difference spectra

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PRINCIPAL DISCRIMINANT VARIATE (PDV) METHOD FOR CLASSIFICATION OF MULTICOLLINEAR DATA WITH APPLICATION TO NEAR-INFRARED SPECTRA OF COW PLASMA SAMPLES

  • Jiang, Jian-Hui;Yuqing Wu;Yu, Ru-Qin;Yukihiro Ozaki
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1042-1042
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    • 2001
  • In linear discriminant analysis there are two important properties concerning the effectiveness of discriminant function modeling. The first is the separability of the discriminant function for different classes. The separability reaches its optimum by maximizing the ratio of between-class to within-class variance. The second is the stability of the discriminant function against noises present in the measurement variables. One can optimize the stability by exploring the discriminant variates in a principal variation subspace, i. e., the directions that account for a majority of the total variation of the data. An unstable discriminant function will exhibit inflated variance in the prediction of future unclassified objects, exposed to a significantly increased risk of erroneous prediction. Therefore, an ideal discriminant function should not only separate different classes with a minimum misclassification rate for the training set, but also possess a good stability such that the prediction variance for unclassified objects can be as small as possible. In other words, an optimal classifier should find a balance between the separability and the stability. This is of special significance for multivariate spectroscopy-based classification where multicollinearity always leads to discriminant directions located in low-spread subspaces. A new regularized discriminant analysis technique, the principal discriminant variate (PDV) method, has been developed for handling effectively multicollinear data commonly encountered in multivariate spectroscopy-based classification. The motivation behind this method is to seek a sequence of discriminant directions that not only optimize the separability between different classes, but also account for a maximized variation present in the data. Three different formulations for the PDV methods are suggested, and an effective computing procedure is proposed for a PDV method. Near-infrared (NIR) spectra of blood plasma samples from daily monitoring of two Japanese cows have been used to evaluate the behavior of the PDV method in comparison with principal component analysis (PCA), discriminant partial least squares (DPLS), soft independent modeling of class analogies (SIMCA) and Fisher linear discriminant analysis (FLDA). Results obtained demonstrate that the PDV method exhibits improved stability in prediction without significant loss of separability. The NIR spectra of blood plasma samples from two cows are clearly discriminated between by the PDV method. Moreover, the proposed method provides superior performance to PCA, DPLS, SIMCA md FLDA, indicating that PDV is a promising tool in discriminant analysis of spectra-characterized samples with only small compositional difference.

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Induced Circular Dichroism Spectra and Chromatography by Interaction of Some Racemic Cobalt (III) Complexes and d-Tartrate$^2$- in Aqueous Solution (d-주석산이온과 라세미코발트(III) 착물과의 상호작용에 따른 유발원편광이색성 Spectra와 크로마토그래피)

  • Chang Eon Oh;Dae Ho Kang;Gab Choul Shin
    • Journal of the Korean Chemical Society
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    • v.25 no.5
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    • pp.306-310
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    • 1981
  • Induced circular dichroism spectra of racemic cobalt(III) complexes for $[Co(en)_3]^{3+},\;[Co(tn_)3]^{3+},\;cis-[Co(NH_3)(en)_2]^{3+},\;[Co({\beta}-ala)(en)2_]^{2+},\;[Co(gly)(en)_2]^{2+}\;and\;[Co(acac)(en)_2]^{2+}$ were measured when they were dissolved in aqueous d-tartrate2- solution at room temperature. Only a single negative CD spectrum was observed for all the complexes above in visible region(400∼500nm). It was interpreted that these CD bands were attributed to the difference in interaction between ${\Lambda}$-and ${\Delta}$-enantiomers with d-tartrate$^{2-}$. Namely, when d-tartrate$^{2-}$ was added to ${\Lambda}$-enantiomer and ${\Delta}$-enantiomer, it caused ${\Lambda}$-enantiomer to change greatly and ${\Delta}$-enantiomer to change only slightly; combined the results proved induced circular dichroism. The enantiomer for which the eluent has a stronger affinity should be eluted faster in ion-exchange column chromatography. It is possible to predict the elution order of chromatography from the sign of the induced CD if stronger interaction of chiral anion with the complex leads to greater change in the natural CD spectrum of the complex. The elution order was in complete agreement with the prediction from the sign of the induced CD spectrum for all the measured complexes.

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Signal to Noise Ratio of MR Spectrum by variation echo time : comparison of 1.5T and 3.0T (Echo time에 따른 MR spectrum의 SNR: 1.5T와 3.0T비교)

  • Kim, Sung-Gil;Lee, Kyu-Su;Rim, Che-Pyeong
    • Journal of the Korean Society of Radiology
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    • v.5 no.6
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    • pp.401-407
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    • 2011
  • The purpose of this study is to know the differences of MR spectra, obtained from normal volunteers by variable TE value, through the quantitative analysis of brain metabolites by peak integral and SNR between 1.5T and 3.0T, together with PRESS and STEAM pulse sequence. Single-voxel MR proton spectra of the human brain obtained from normal volunteers at both 3.0T MR system (Magnetom Trio, SIEMENS, Germany) and 1.5T MR system (Signa Twinspeed, GE, USA) using the STEAM and PRESS pulse sequence. 10 healthy volunteers (3.0T:3 males, 2 females; 1.5T : 3 males, 2 females) with the range from 22 to 30 years old (mean 26 years) participated in our study. They had no personal or familial history of neurological diseases and had a normal neurological examination. Data acquisition parameters were closely matched between the two field strengths. Spectra were recorded in the white matter of the occipital lobe. Spectra were compared in terms of resolution and signal-to-noise ratio(SNR), and echo time(TE) were estimated at both field strengths. Imaging parameters was used for acquisition of the proton spectrum were as follow : TR 2000msec, TE 30ms, 40ms, 50ms, 60ms, 90ms, 144ms, 288ms, NA=96, VOI=$20{\times}20{\times}20mm3$. As the echo times were increased, the spectra obtained from 3.0T and 1.5T show decreased peak integral and SNR at both pulse sequence. PRESS pulse sequence shows higher SNR and signal intensity than those of STEAM. Especially, Spectra in normal volunteers at 3.0T demonstrated significantly improved overall SNR and spectral resolution compared to 1.5T(Fig1). The spectra acquired at short echo time, 3T MR system shows a twice improvement in SNR compared to 1.5T MR system(Table. 1). But, there was no significant difference between 3.0Tand 1.5T at long TE It is concluded that PRESS and short TE is useful for quantification of the brain metabolites at 3.0T MRS, our standardized protocol for quantification of the brain metabolites at 3.0T MRS is useful to evaluate the brain diseases by monitoring the systematic changes of biochemical metabolites concentration in vivo.

Near Infrared Spectroscopy for Measuring Soil Properties

  • Ryu, Kwan-Shig;Kim, Bok-Jin;Park, Woo-Churl;Cho, Rae-Kwang
    • Near Infrared Analysis
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    • v.1 no.1
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    • pp.37-41
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    • 2000
  • The purpose of this research was to develop a the reflection technique with near infrared (NIR) radiation for estimating soil components. NIR reflectance was scanned at 2nm intervals from 1100 to 2500nm with an InfraAlyzer 500 (Bran & Luebbe Co.). Over 400 soil sample from fields of different crops and land-use over Youngnam and Honam regions were used to obtain mean diffuse reflection of the soil for the calibration and validation of the calibration set in estimating moisture, organic matter (OM) and total nitrogen (T-N) of the soils. Multiple linear regression (MLR) was used to evaluate the correlation of NIR spectroscopy method. Reflection pattern of NIR spectra for finely sized sample (<0.5mm) and coarsely sized soil(<2mm) did not show much difference. The results showed that NIR spectroscopy and coarsely sized soil (<2mm) did not show much difference. The results showed that NIR spectroscopy could be used as a routine soil testing method in estimating OM, moisture, T-N in soil samples simultaneously.

Acoustic Emission Source Location and Material Characterization Evaluation of Fiberboards (목재 섬유판의 음향방출 위치표정과 재료 특성 평가)

  • Ro Sing-Nam;Park Ik-Keum;Sen Seong-Won;Kim Yong-Kwon
    • Transactions of the Korean Society of Machine Tool Engineers
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    • v.14 no.3
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    • pp.96-102
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    • 2005
  • Acoustic Emission(AE) technique has been applied to not only material characterization evaluation but also on-line monitoring of the structural integrity. The AE source location technique is very important to identify the source, such as crack, leak detection. Since the AE waveforms obtained from sensors are very difficult to distinguish the defect signals, therefore, it is necessary to consider the signal analysis of the transient wave-form. In this study, we have divided the region of interest into a set finite elements, and calculated the arrival time differences between sensors by using the velocities at every degree from 0 to 90. A new technique for the source location of acoustic emission in fiberboard plates has been studied by introducing Wavelet Transform(WT) do-noising technique. WT is a powerful tool for processing transient signals with temporally varying spectra. If the WT de-noising was employed, we could successfully filter out the errors of source location in fiberboard plates by arrival time difference method. The accuracy of source location appeared to be significantly improved.

Improvement and application of DeCART/MUSAD for uncertainty analysis of HTGR neutronic parameters

  • Han, Tae Young;Lee, Hyun Chul;Cho, Jin Young;Jo, Chang Keun
    • Nuclear Engineering and Technology
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    • v.52 no.3
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    • pp.461-468
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    • 2020
  • The improvements of the DeCART/MUSAD code system for uncertainty analysis of HTGR neutronic parameters are presented in this paper. The function for quantifying an uncertainty of critical-spectrumweighted few group cross section was implemented using the generalized adjoint B1 equation solver. Though the changes between the infinite and critical spectra cause a considerable difference in the contribution by the graphite scattering cross section, it does not significantly affect the total uncertainty. To reduce the number of iterations of the generalized adjoint transport equation solver, the generalized adjoint B1 solution was used as the initial value for it and the number of iterations decreased to 50%. To reflect the implicit uncertainty, the correction factor was derived with the resonance integral. Moreover, an additional correction factor for the double heterogeneity was derived with the effective cross section of the DH region and it reduces the difference from the complete uncertainty. The code system was examined with the MHTGR-350 Ex.II-2 3D core benchmark. The keff uncertainty for Ex.II-2a with only the fresh fuel block was similar to that of the block and the uncertainty for Ex.II-2b with the fresh fuel and the burnt fuel blocks was smaller than that of the fresh fuel block.

A Study of Optical Characteristics Correlated with Low Dielectric Constant of SiOCH Thin Films Through Ellipsometry (Ellipsometry를 이용한 저 유전상수를 갖는 SiOCH박막의 광학특성 연구)

  • Park, Yong-Heon
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.23 no.3
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    • pp.228-233
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    • 2010
  • We studied the optical characteristics correlated with low dielectric constants of low-k SiOCH thin films through ellipsometry. The low-k SiOCH thin films were prepared by CCP-PECVD method using BTMSM(Bis-trimethylsilylmethane) precursors deposited on p-Si wafer. The Si-O-CHx, Si-O-Si, Si-CHx, CHx and Si-H bonding groups were specified by FTIR spectroscopic spectra, and the groups coupled with the nano-porous structural organic/inorganic hybrid-type of SiOCH thin films which has extremely low dielectric constant close to 2.0. The structural groups includes highly dense pore as well as ions in SiOCH thin films affecting to complex refraction characteristics of single layer on the p-Si wafer. The structural complexity originate the complex refractive constants of the films, and resulted the elliptical polarization of the incident linearly polarized light source of Xe-light source in the range from 190 nm to 2100 nm. Phase difference and amplitude ratio between s wave and p wave propagating through SiOCH thin film was studied. After annealing, the amplitude of p wave was reduced more than s wave, and phase difference between p and s wave was also reduced.

Difference in Susceptibility of Tyrosine Residue to Oxidative Iodination between a Thioredoxin Box Region and a Hormonogenic Region

  • Sok, Dai-Eun;Charles J.Sih
    • Archives of Pharmacal Research
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    • v.24 no.5
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    • pp.446-454
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    • 2001
  • Peptide fragments, isolated from proteolytic cleavage of thyroglobulin at specific sites, were examined for the iodination of tyrosine residues. The 50 kDa polypeptide, which was prepared from digestion of bovine thyroglobulin and continuous preparative SDS-PAGE, was subjected to reduction with DTT and alkylation with iodoacetic acid to generate S-car-boxymethylated peptide derivative, which was further hydrohysed by endoproteinase-Asp-N. Peptide products were separated by RP-HPLC, and each fraction was analyzed by LC/ESI-MS and MALDI-MS analyses. Based on the specificity of endoproteinase-Asp-N andthe mass spectra data, a peptide fragment turned out to correspond to a peptide, DALCCVKCPEGSYFQ (1438-1452), characterized by the presence of a thioredoxin box (CVKC) and a tyrosine residue. In addition, another peptide fragment (1453-1465) containing a thioredoxin box (CIPC) and a tyrosine residue was also observed. However, any evidence of iodination of the tyrosine residue present in these peptides was not provided. Meanwhile, tyrosine residues in the peptides, DVEEALAGKYLAGRFA (1366-1381) and DYSGLLLAFQVFLL (1290-1303) were found to be iodinated; mono- or diiodinated tyrosine residues, characteristic of a hormogenic site, existed in both peptides. In addition, the tyrosine residue in the peptide (1218-1252), corresponding to a hormonogenic site was also iodinated. Thus, there was a sharp difference of the susceptibility to oxidative iodination between the tyrosine residue in a hormonogenic site and that in a thioredoxin region. From these results, it is suggested that polypeptide region adjacent to tyrosine residues may govern the susceptibility of tyrosine to oxidative iodination.

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Spectral Characteristics and Formant Bandwidths of English Vowels by American Males with Different Speaking Styles (발화방식에 따른 미국인 남성 영어모음의 스펙트럼 특성과 포먼트 대역)

  • Yang, Byunggon
    • Phonetics and Speech Sciences
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    • v.6 no.4
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    • pp.91-99
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    • 2014
  • Speaking styles tend to have an influence on spectral characteristics of produced speech. There are not many studies on the spectral characteristics of speech because of complicated processing of too much spectral data. The purpose of this study was to examine spectral characteristics and formant bandwidths of English vowels produced by nine American males with different speaking styles: clear or conversational styles; high- or low-pitched voices. Praat was used to collect pitch-corrected long-term averaged spectra and bandwidths of the first two formants of eleven vowels in the speaking styles. Results showed that the spectral characteristics of the vowels varied systematically according to the speaking styles. The clear speech showed higher spectral energy of the vowels than that of the conversational speech while the high-pitched voice did the same over the low-pitched voice. In addition, front and back vowel groups showed different spectral characteristics. Secondly, there was no statistically significant difference between B1 and B2 in the speaking styles. B1 was generally lower than B2 when reflecting the source spectrum and radiation effect. However, there was a statistically significant difference in B2 between the front and back vowel groups. The author concluded that spectral characteristics reflect speaking styles systematically while bandwidths measured at a few formant frequency points do not reveal style differences properly. Further studies would be desirable to examine how people would evaluate different sets of synthetic vowels with spectral characteristics or with bandwidths modified.

A Study on the Nonlinearity of Chaotic Signal by Bispectral Analysis (바이스펙트럼 해석에 의한 카오스 신호의 비선형성에 관한 연구)

  • Lee, Hae-Jin;Lee, Gyeong-Tae;Park, Young-Sun;Cha, Kyung-Joon;Park, Moon-Il;Oh, Jae-Eung
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.31 no.8
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    • pp.817-825
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    • 2007
  • During thirty years, deterministic chaos has moved center stage in many areas of applied mathematics. One important stimulus for this, particularly in the early 1970s, was work on nonlinear aspects of the dynamics of plant and animal populations. There are many situations, at least to a crude first approximation, by a simple first-order difference equation. Past studies have shown that such equations, even though simple and deterministic, can exhibit a surprising array of dynamical behavior, from stable points, to a bifurcating hierarchy of stable cycles, to apparently random fluctuations. But higher-order spectral analyses of such behavior are usually not considered. Higher-order spectra of a signal contain important information that is not present in its power spectrum. So, if we find the spectral pattern and get information from it, it will be able to be used effectively in so many fields. Hence, this paper uses auto bicoherence and bicoherence residue which are sort of bispectrum. Applying these to behavior of logistic difference equation, which is typical chaotic signal, the phenomenon of phase coupling and the appearance of frequency band can be analyzed. Such information means that bispectral analysis is useful to detect nonlinearity of signal.