• Title/Summary/Keyword: Spectral Derivative

Search Result 107, Processing Time 0.029 seconds

Effect of Coordination Environment on the Photophysical Properties of Luminescent Europium(III) Complexes

  • Baek, Nam-Seob;Kim, Yong-Hee;Lee, Dong-Hyun;Seo, Kang-Deuk;Kim, Hwan-Kyu
    • Bulletin of the Korean Chemical Society
    • /
    • v.30 no.7
    • /
    • pp.1553-1558
    • /
    • 2009
  • A series of Eu(III) complexes with various neutral ligands (2,2’:6’,2"-terpyridine (T), diglyme (D), 1N-(2-dimethylamino) ethyl)-1N, 2N, 2N-trimethylethane-1,2-diamine (PT), di-(2-picolyl)-amine derivative (HT), and multidentate terpyridine derivative (DT)) were synthesized to investigate the effect of coordination environment on the sensitized luminescence of Eu(III) complexes. The nine coordination sites of the $Eu^{3+}$ ion are occupied by three bidentate carboxylate moieties and one neutral ligand. The highest emission intensity is obtained for $Eu^{3+}$- $[NA]_3$ (PT), due to the difference in energy transfer efficiency and symmetry of the first coordination sphere of $Eu^{3+}$ ion. But, the lowest emission intensity is obtained for $Eu^{3+}$-$[NA]_3$(T). Terpyridine may not play an important role antenna for photosensitizing $Eu^{3+}$ ion. It could be attributed to the weak spectral overlap integral J value between its phosphorescence band and $Eu^{3+}$ion absorption band. Therefore, different coordination environment of $Ln^{3+}$ ion play an important role in providing sensitization of lanthanide ion emission.

Structural and Physicochemical Studies on DA-5018, a New Capsaicin Derivative (새로운 Capsaicin 유도체 DA-5018의 구조 및 물리화학적 성질 연구)

  • Kim, Heung-Jae;Lee, Jong-Jin;Lee, Eung-Doo;Shim, Hyun-Joo;Lee, Sang-Deuk;Ok, Kwang-Dae;Kim, Won-Bae;Park, No-Sang
    • Journal of Pharmaceutical Investigation
    • /
    • v.27 no.2
    • /
    • pp.119-123
    • /
    • 1997
  • The physicochemical and structural properties of new capsaicin derivative, DA-5018, were examined. The reference standard of this compound was obtained by the recrystallization. A method for the determination of the dissociation constant of the compound is described. pH-solubility and distribution coefficient were determined by chromatographic method. Fundamental properties on thermal behaviors were investigated by TG, DTA and DSC. Structural analysis based on spectroscopic method coincided with the chemical structure of DA-5018. Approximate dissociation constant of the compound determined by UV spectral method was 9.35. Solubilities and partition coefficients in various pH buffer solution appeared pH-dependency. No crystal transition or further transition was found in the thermal analysis. This compound showed good stability, but pH 13 buffer and acetone made some degradative products.

  • PDF

Mastitis Diagnostics by Near-infrared Spectra of Cows milk, Blood and Urine Using SIMCA Classification

  • Tsenkova, Roumiana;Atanassova, Stefka
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
    • /
    • 2001.06a
    • /
    • pp.1247-1247
    • /
    • 2001
  • Constituents of animal biofluids such as milk, blood and urine contain information specifically related to metabolic and health status of the ruminant animals. Some changes in composition of biofluids can be attributed to disease response of the animals. Mastitis is a major problem for the global dairy industry and causes substantial economic losses from decreasing milk production and reducing milk quality. The purpose of this study was to investigate potential of NIRS combined with multivariate analysis for cow's mastitis diagnosis based on NIR spectra of milk, blood and urine. A total of 112 bulk milk, urine and blood samples from 4 Holstein cows were analyzed. The milk samples were collected from morning milking. The urine samples were collected before morning milking and stored at -35$^{\circ}C$ until spectral analysis. The blood samples were collected before morning milking using a catheter inserted into the carotid vein. Heparin was added to blood samples to prevent coagulation. All milk samples were analyzed for somatic cell count (SCC). The SCC content in milk was used as indicator of mastitis and as quantitative parameter for respective urine and blood samples collected at same time. NIR spectra of blood and milk samples were obtained by InfraAlyzer 500 spectrophotometer, using a transflectance mode. NIR spectra of urine samples were obtained by NIR System 6500 spectrophotometer, using 1 mm sample thickness. All samples were divided into calibration set and test set. Class variable was assigned for each sample as follow: healthy (class 1) and mastitic (class 2), based on milk SCC content. SIMCA was implemented to create models of the respective classes based on NIR spectra of milk, blood or urine. For the calibration set of samples, SIMCA models (model for samples from healthy cows and model for samples from mastitic cows), correctly classified from 97.33 to 98.67% of milk samples, from 97.33 to 98.61% of urine samples and from 96.00 to 94.67% of blood samples. From samples in the test set, the percent of correctly classified samples varied from 70.27 to 89.19, depending mainly on spectral data pretreatment. The best results for all data sets were obtained when first derivative spectral data pretreatment was used. The incorrect classified samples were 5 from milk samples,5 and 4 from urine and blood samples, respectively. The analysis of changes in the loading of first PC factor for group of samples from healthy cows and group of samples from mastitic cows showed, that separation between classes was indirect and based on influence of mastitis on the milk, blood and urine components. Results from the present investigation showed that the changes that occur when a cow gets mastitis influence her milk, urine and blood spectra in a specific way. SIMCA allowed extraction of available spectral information from the milk, urine and blood spectra connected with mastitis. The obtained results could be used for development of a new method for mastitis detection.

  • PDF

Determination of human breast cancer cells viability by near infrared spectroscopy

  • Isoda, Hiroko;Emura, Koji;Tsenkova, Roumiana;Maekawa, Takaaki
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
    • /
    • 2001.06a
    • /
    • pp.4105-4105
    • /
    • 2001
  • Near infrared spectroscopy (NIRS) was employed to qualify and quantify on survival, the injury rate and apoptosis of the human breast cancer cell line MCF-7 cells. MCF-7 cells were cultured in RPMI medium supplemented with 10% FCS in a 95% air and 5% CO2 atmosphere at 37$^{\circ}C$. For the viable cells preparation, cells were de-touched by 0.1% of trypsin treatment and washed with RPMI supplemented with 10% FCS medium by centrifugation at 1000 rpm for 3min. For the dead cells preparation, cells were de-touched by a cell scraper. The cells were counted by a hemacytometer, and the viability was estimated by the exclusion method with frypan blue dye. Each viable and dead cells were suspended in PBS (phosphate bufferred saline) or milk at the cell density desired. For the quantitative determination of cell death by measuring the LDH (lactate dehydrogenase) activity liberated from cells with cell membrane injuries, LDH-Cytotoxic Test Wako (Wako, Pure Pharmaceutical Co. Ltd., Japan) was used. We found that NIRS measurement of MCF-7 cells at the density range could evaluate and monitor the different characteristics of living cells and dead cells. The spectral analysis was performed in two wavelength ranges and with 1,4, 10 mm pathlength. Different spectral data pretreatment and chemometrics methods were used. We applied SIMCA classificator on spectral data of living and dead cells and obtained good accuracy when identifying each class. Bigger variation in the spectra of living cells with different concentrations was observed when compared to the same concentrations of dead cells. PLS was used to measure the number of cells in PBS. The best model for measurement of dead cells, as well as living cells, was developed when raw spectra in the 600-1098 nm region and 4 mm pathlength were used. Smoothing and second derivative spectral data pretreatment gave worst results. The analysis of PLS loading explained this result with the scatter effect found in the raw spectra and increased with the number of cells. Calibration for cell count in the 1100-2500 nm region showed to be very inaccurate.

  • PDF

Evaluation of Firmness and Sweetness Index of Tomatoes using Hyperspectral Imaging

  • Rahman, Anisur;Faqeerzada, Mohammad Akbar;Joshi, Rahul;Cho, Byoung-Kwan
    • Proceedings of the Korean Society for Agricultural Machinery Conference
    • /
    • 2017.04a
    • /
    • pp.44-44
    • /
    • 2017
  • The objective of this study was to evaluate firmness, and sweetness index (SI) of tomatoes (Lycopersicum esculentum) by using hyperspectral imaging (HSI) in the range of 1000-1400 nm. The mean spectra of the 95 matured tomato samples were extracted from the hyperspectral images, and the reference firmness and sweetness index of the same sample were measured and calibrated with their corresponding spectral data by partial least squares (PLS) regression with different preprocessing method. The results showed that the regression model developed by PLS regression based on Savitzky-Golay (S-G) second-derivative preprocessed spectra resulted in better performance for firmness, and SI of tomatoes compared to models developed by other preprocessing methods, with correlation coefficients (rpred) of 0.82, and 0.74 with standard error of prediction (SEP) of 0.86 N, and 0.63 respectively. Then, the feature wavelengths were identified using model-based variable selection method, i.e., variable important in projection (VIP), resulting from the PLS regression analyses and finally chemical images were derived by applying the respective regression coefficient on the spectral image in a pixel-wise manner. The resulting chemical images provided detailed information on firmness, and sweetness index (SI) of tomatoes. Therefore, these research demonstrated that HIS technique has a potential for rapid and non-destructive evaluation of the firmness and sweetness index of tomatoes.

  • PDF

The long-term centimeter variability of active galactic nuclei: A new relation between variability timescale and black hole mass

  • Park, Jongho;Trippe, Sascha
    • The Bulletin of The Korean Astronomical Society
    • /
    • v.41 no.1
    • /
    • pp.36.2-37
    • /
    • 2016
  • We study the long-term radio variability of 43 radio bright AGNs by exploiting the data base of the University of Michigan Radio Astronomy Observatory (UMRAO) monitoring program. The UMRAO database provides high quality lightcurves spanning 25 - 32 years in time at three observing frequencies, 4.8, 8, and 14.5 GHz. We model the periodograms (temporal power spectra) of the observed lightcurves as simple power-law noise (red noise, spectral power $P(f){\propto}f^{-{\beta}}$ using Monte Carlo simulations, taking into account windowing effects (red-noise leak, aliasing). The power spectra of 39 (out of 43) sources are in good agreement with the models, yielding a range in power spectral index (${\beta}$) from ${\approx}1$ to ${\approx}3$. We find a strong anti-correlation between ${\beta}$ and the fractal dimension of the lightcurves, which provides an independent check of the quality of our modelling of power spectra. We fit a Gaussian function to each flare in a given lightcurve to obtain the flare duration. We discover a correlation between ${\beta}$ and the median duration of the flares. We use the derivative of a lightcurve to obtain a characteristic variability timescale which does not depend on the assumed functional form of the flares, incomplete fitting, and so on. We find that, once the effects of relativistic Doppler boosting on the observed timescales are corrected, the variability timescales of our sources are proportional to the black hole mass to the power of ${\alpha}=1.70{\pm}0.49$. We see an indication for AGNs in different regimes of accretion rate, flat spectrum radio quasars and BL Lac objects, having different scaling relations with ${\alpha}{\approx}1$ and ${\approx}2$, respectively. We find that modelling the periodograms of four of our sources requires the assumption of broken powerlaw spectra. From simulating lightcurves as superpositions of exponential flares we conclude that strong overlap of flares leads to featureless simple power-law periodograms of AGNs at radio wavelengths in most cases (The paper is about to be submitted to ApJ).

  • PDF

Partially Implicit Chebyshev Pseudo-spectral Method for a Periodic Unsteady Flow Analysis (부분 내재적 체비셰브 스펙트럴 기법을 이용한 주기적인 비정상 유동 해석)

  • Im, Dong Kyun
    • Journal of Aerospace System Engineering
    • /
    • v.14 no.3
    • /
    • pp.17-23
    • /
    • 2020
  • In this paper, the efficient periodic unsteady flow analysis is developed by using a Chebyshev collocation operator applied to the time differential term of the governing equations. The partial implicit time integration method was also applied in the governing equation for a fluid, which means flux terms were implicitly processed for a time integration and the time derivative terms were applied explicitly in the form of the source term by applying the Chebyshev collocation operator. To verify this method, we applied the 1D unsteady Burgers equation and the 2D oscillating airfoil. The results were compared with the existing unsteady flow frequency analysis technique, the Harmonic Balance Method, and the experimental data. The Chebyshev collocation operator can manage time derivatives for periodic and non-periodic problems, so it can be applied to non-periodic problems later.

Hyperspectral imaging technique to evaluate the firmness and the sweetness index of tomatoes

  • Rahman, Anisur;Park, Eunsoo;Bae, Hyungjin;Cho, Byoung-Kwan
    • Korean Journal of Agricultural Science
    • /
    • v.45 no.4
    • /
    • pp.823-837
    • /
    • 2018
  • The objective of this study was to evaluate the firmness and the sweetness index (SI) of tomatoes with a hyperspectral imaging (HSI) technique within the wavelength range of 1000 - 1550 nm. The hyperspectral images of 95 tomatoes were acquired with a push-broom hyperspectral reflectance imaging system, from which the mean spectra of each tomato were extracted from the regions of interest. The reference firmness and sweetness index of the same sample was measured and calibrated with their corresponding spectral data by partial least squares (PLS) regression with different preprocessing methods. The calibration model developed by PLS regression based on the Savitzky-Golay second-derivative preprocessed spectra resulted in a better performance for both the firmness and the SI of the tomatoes compared to models developed by other preprocessing methods. The correlation coefficients ($R_{pred}$) were 0.82, and 0.74 with a standard error of prediction of 0.86 N, and 0.63, respectively. Then, the feature wavelengths were identified using a model-based variable selection method, i.e., variable importance in projection, from the PLS regression analyses. Finally, chemical images were derived by applying the respective regression coefficients on the spectral image in a pixel-wise manner. The resulting chemical images provided detailed information on the firmness and the SI of the tomatoes. The results show that the proposed HSI technique has potential for rapid and non-destructive evaluation of firmness and the sweetness index of tomatoes.

Fundamental Investigation of Non-invasive Determination of Alcohol in Blood by Near Infrared Spectrophotometry (근적외선 분광분석법을 이용한 음주측정기술 개발에 관한 연구)

  • Chang, Soo-Hyun;Cho, Chang-Hee;Woo, Young-Ah;Kim, Hyo-Jin;Kim, Young-Man;Lee, Kang-Boong;Kim, Young-Woon;Park, Sung-Woo
    • Analytical Science and Technology
    • /
    • v.12 no.5
    • /
    • pp.375-381
    • /
    • 1999
  • Near infrared spectrophotometry(NIR) was developed as a non-invasive determination of blood alcohol. The first pure alcohol/water samples were prepared with ethanol concentration from 0.01 to 0.1%(w/w). Analysis of the second-derivative data was accomplished with multilinear regression(MLR). The standard error of calibration(SEC) of ethanol in ethanol/water solutions was approximately 0.0039%. The calibration models were established from the blood alcohol spectra by MLR and PLSR analysis. The best calibration was built with the second-derivative spectra of 2266 and 2326 nm by MLR. Second-derivative spectra in the spectral ranges of 1100~1340, 1500~1796 and 2064~2300 nm with four PLSR factors provided the standard error of prediction(SEP) of 0.030%(w/w). These results indicate that NIR may be applied for a fast non-invasive determination of alcohol in the blood.

  • PDF

Synthesis of Some New 4,5-dihydro-6-(4-methoxy-3-methylphenyl)-3(2H)-pyridazinone Derivatives (4,5-Dihydro-6-(4-methoxy-3-methylphenyl)-3(2H)-pyridazinone계 화합물의 합성 연구)

  • Soliman, Mohamed H. A.;El-Sakka, Sahar S.
    • Journal of the Korean Chemical Society
    • /
    • v.55 no.2
    • /
    • pp.230-234
    • /
    • 2011
  • The present study describes the synthesis of 4,5-dihydro-6-(4-methoxy-3-methylphenyl)-3(2H)-pyridazinone derivatives. The synthesis of the first target compound, 4,5-dihydro-6-(4-methoxy-3-methylphenyl)-3(2H)-pyridazinone (1), was achieved by Friedel-Crafts acylation of o-cresyl methyl ether with succinic anhydride and subsequent cyclization of the intermediary g-keto acid with hydrazine hydrate. Condensation of compound 1 with aromatic aldehydes in the presence of sodium ethoxide affords the corresponding 4-substituted benzyl pyridazinones (3a-d). The dihydropyridazinone 1 underwent dehydrogenation upon treatment with bromine/acetic acid mixture to give (4). Pyridazine (5) has been synthesized upon the reaction of pyridazinone (1) with 1,3-diphenyl-2-propen-1-one under the Michael addition reaction. N-dialkylaminomethyl derivatives 6a-b have been obtained from the reaction of pyridazinone 1 with formaldehyde and secondary amine, whereas reaction of 1 with formaldehyde gives N-hydroxymethyl derivative (7). This study also includes the synthesis of the 3-chloropyridazine derivative 8 in excellent yield by heating pyridazinone 3b in phosphorus oxychloride. The behaviour of the chloro derivative toward sodium azide, benzyl amine and anthranilic acid was also studied. The proposed structures of the products were confirmed by elemental analysis, spectral data and chemical evidence.