• 제목/요약/키워드: Chemometrics

검색결과 60건 처리시간 0.023초

Template Synthesis of Nitrogen-Doped Short Tubular Carbons with Big Inner Diameter and their Application in Electrochemical Sensing

  • Cheng, Rui;Zou, Qiong;Zhang, Xiaohua;Xiao, Chunhui;Sun, Longfei;Chen, Jinhua
    • Bulletin of the Korean Chemical Society
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    • 제35권8호
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    • pp.2423-2430
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    • 2014
  • Nitrogen-doped short tubular carbons (N-STCs) with big inner diameter have been successfully synthesized via carbonization of polydopamine (PDA) wrapped halloysite nanotubes (HNTs). The obtained N-STCs have average length of $0.3{\mu}m$ with big inner diameter (50 nm), thin wall (2-3 nm) and large surface area ($776m^2g^{-1}$), and show excellent electrochemical properties. As an example in electrochemical applications, N-STCs were used to electrochemically detect hydrogen peroxide ($H_2O_2$) and glucose. The results showed that the N-STCs modified glassy carbon (N-STCs/GC) electrode had much better analytical performance (lower detection limit and wider linear range) compared to the acid-treated carbon nanotubes (AO-CNTs) based GC electrode. The unique structure endows N-STCs the enhanced electrochemical performance and promising applications in electrochemical sensing.

Simultaneous Electrochemical Determination of Hydroquinone, Catechol and Resorcinol at Nitrogen Doped Porous Carbon Nanopolyhedrons-multiwall Carbon Nanotubes Hybrid Materials Modified Glassy Carbon Electrode

  • Liu, Wei;Wu, Liang;Zhang, Xiaohua;Chen, Jinhua
    • Bulletin of the Korean Chemical Society
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    • 제35권1호
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    • pp.204-210
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    • 2014
  • The nitrogen doped porous carbon nanopolyhedrons (N-PCNPs)-multi-walled carbon nanotubes (MWCNTs) hybrid materials were prepared for the first time. Combining the excellent catalytic activities, good electrical conductivities and high surface areas of N-PCNPs and MWCNTs, the simultaneous determination of hydroquinone (HQ), catechol (CC) and resorcinol (RE) with good analytical performance was achieved at the N-PCNPs-MWCNTs modified electrode. The linear response ranges for HQ, CC and RE are 0.2-455 ${\mu}M$, 0.7-440 ${\mu}M$ and 3.0-365 ${\mu}M$, respectively, and the detection limits (S/N = 3) are $0.03{\mu}M$, $0.11{\mu}M$ and $0.38{\mu}M$, respectively. These results are much better than that obtained on some graphene or CNTs-based materials modified electrodes. Furthermore, the developed sensor was successfully applied to simultaneously detect HQ, CC and RE in the local river water samples.

Optimization red emission of SrMoO4: Eu3+ via hydro-thermal co-precipitation synthesis using orthogonal experiment

  • Tan, Yongjun;Luo, Xuedan;Mao, Mingfu;Shu, Dehua;Shan, Wenfei;Li, Guizhi;Guo, Dongcai
    • Current Applied Physics
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    • 제18권11호
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    • pp.1403-1409
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    • 2018
  • In the present study, the $SrMoO_4:Eu^{3+}$ phosphors has been synthesized through hydro-thermal co-precipitation method, and single factor and orthogonal experiment method was adopted to find optimal synthesis condition. It is interesting to note that hydro-thermal temperature is a prominent effect on the luminescent intensity of $SrMoO_4:Eu^{3+}$ red phosphor, followed by co-precipitation temperature, calcining time, and the doping amount of $Eu^{3+}$. The optimal synthesis conditions were obtained: hydro-thermal temperature is $145^{\circ}C$, co-precipitation temperature is $35^{\circ}C$, the calcining time is 2.5 h, and the doping amount of activator $Eu^{3+}$ is 25%. Subsequently, the crystalline particle size, phase composition and morphology of the synthesized phosphors were evaluated by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM). The results show that these phosphors possess a scheelite-type tetragonal structure, and the particle size is about $0.2{\mu}m$. Spectroscopic investigations of the synthesized phosphors are carried out with the help of photo-luminescence excitation and emission analysis. The studies reveal that $SrMoO_4:Eu^{3+}$ phosphor efficiently convert radiation of 394 nm-592 and 616 nm for red light, and the luminescence intensity of $SrMoO_4:Eu^{3+}$ phosphors is improved. $SrMoO_4:Eu^{3+}$ phosphors may be a potential application for enhancing the efficiency of white LEDs.

Untargeted metabolomics using liquid chromatography-high resolution mass spectrometry and chemometrics for analysis of non-halal meats adulteration in beef meat

  • Anjar Windarsih;Nor Kartini Abu Bakar;Abdul Rohman;Nancy Dewi Yuliana;Dachriyanus Dachriyanus
    • Animal Bioscience
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    • 제37권5호
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    • pp.918-928
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    • 2024
  • Objective: The adulteration of raw beef (BMr) with dog meat (DMr) and pork (PMr) becomes a serious problem because it is associated with halal status, quality, and safety of meats. This research aimed to develop an effective authentication method to detect non-halal meats (dog meat and pork) in beef using metabolomics approach. Methods: Liquid chromatography-high resolution mass spectrometry (LC-HRMS) using untargeted approach combined with chemometrics was applied for analysis non-halal meats in BMr. Results: The untargeted metabolomics approach successfully identified various metabolites in BMr DMr, PMr, and their mixtures. The discrimination and classification between authentic BMr and those adulterated with DMr and PMr were successfully determined using partial least square-discriminant analysis (PLS-DA) with high accuracy. All BMr samples containing non-halal meats could be differentiated from authentic BMr. A number of discriminating metabolites with potential as biomarkers to discriminate BMr in the mixtures with DMr and PMr could be identified from the analysis of variable importance for projection value. Partial least square (PLS) and orthogonal PLS (OPLS) regression using discriminating metabolites showed high accuracy (R2 >0.990) and high precision (both RMSEC and RMSEE <5%) in predicting the concentration of DMr and PMr present in beef indicating that the discriminating metabolites were good predictors. The developed untargeted LC-HRMS metabolomics and chemometrics successfully identified non-halal meats adulteration (DMr and PMr) in beef with high sensitivity up to 0.1% (w/w). Conclusion: A combination of LC-HRMS untargeted metabolomic and chemometrics promises to be an effective analytical technique for halal authenticity testing of meats. This method could be further standardized and proposed as a method for halal authentication of meats.

A Study on the Several Robust Regression Estimators

  • Kim, Jee-Yun;Roh, Kyung-Mi;Hwang, Jin-Soo
    • Journal of the Korean Data and Information Science Society
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    • 제15권2호
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    • pp.307-316
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    • 2004
  • Principal Component Regression(PCR) and Partial Least Squares Regression(PLSR) are the two most popular regression techniques in chemometrics. In the field of chemometrics usually the number of regressor variables greatly exceeds the number of observation. So we have to reduce the number of regressors to avoid the identifiability problem. In this paper we compare PCR and PLSR techniques combined with various robust regression methods including regression depth estimation. We compare the efficiency, goodness-of-fit and robustness of each estimators under several contamination schemes.

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Evaluation of Larynx Cancer via Chemometrics Assisted Raman Spectroscopy

  • Senol, Onur;Albayrak, Mevlut
    • Current Optics and Photonics
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    • 제3권2호
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    • pp.150-153
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    • 2019
  • Larynx cancer is a potentially terminal and severe type of neck and head cancer in which malignant cells start to grow and spread upwards in the larynx, or voice box. Smoking tobacco, drinking hot beverages and drinking alcohol are the main risk factors for these tumors. In this study, we aimed to develop a precise, accurate and rapid chemometrics assisted Raman spectroscopy method for diagnosis of larynx cancer in deparaffinized tissue samples. In the proposed method, samples were deparaffinized and 20 microns of each tissue were located on a coverslip. Both healthy (n = 13) and cancerous tissues (n = 13) were exposed to a Raman laser (785 nm) and excitations were recorded between wavenumbers of $50{\sim}1500cm^{-1}$. An Orthogonal Partial Least Square algorithm was applied to evaluate the Raman spectrum obtained. Sensitivity and specificity of the proposed method is high enough with the aid of Principal Component Analysis (PCA) to test the whole model. Healthy and cancerous tissues were accurately and precisely clustered. A rapid, easy and precise diagnosis algorithm was developed for larynx cancer. By this method, some useful data about differences in biomolecules of each group (phospholipids, amides, tyrosine, phenylalanine collagen etc.) was also obtained from the spectra. It is claimed that the optimized method has a great potential for clustering and separating tumor tissues from healthy ones. This novel, rapid, precise and objective diagnosis method may be an alternative for the conventional methods in literature for diagnosis of larynx cancer.

ICP-AES를 이용한 황기 속에 함유된 원소의 성분 분석과 Chemometrics를 이용한 한약재의 원산지 규명 (Elemental Analysis in Astragali Radix by Using ICP-AES and Determination of the Original Agricultural Place of Oriental Medicine by Using a Chemometrics)

  • 강미라;이익희;전형;김용성;이상천
    • 분석과학
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    • 제14권4호
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    • pp.311-316
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    • 2001
  • 본 연구는 한약재 중 우리 나라의 여러 지역에서 재배되고 있는 황기를 선택하여 유도결합 플라스마 분광분석법(inductively coupled plasma-atomic emission spectroscopy ; ICP-AES)을 이용한 미량성분을 분석하여 principal component analysis(PCA)와 pattern recognition의 원리를 이용한 chemometrics Analysis로 한약재에 함유된 미량 금속 성분 함량에 의한 원산지 판별의 가능성을 조사하였다. 황기와 토양시료는 각각 $HNO_3$$H_2O_2$ 그리고 $HNO_3$와 HCl를 첨가하여 microwave oven을 사용하여 전처리 하였다. ICP-AES를 사용하여 황기와 황기를 재배한 토양 속에 들어 있는 미량 금속 성분으로는 Mg, Al, K, Ca, Ti, Mn, Fe, Cu, Zn, and Ba 등이 있으며 그 중 Al과 Fe 그리고 Zn과 Ti의 함량으로는 PCA와 pattern recognition을 이용하여 각 재백지의 황기와 토양간의 연계성을 살펴보았다. 그 결과 국내산 황기와 중국산 황기를 PCA 방법으로 원산지 판별이 가능하였으며 구례, 예천, 제천, 그리고 정선의 국내산 황기의 원산지 판별이 가능하였다.

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Characterization of Volatile Compounds in Donkey Meat by Gas Chromatography-Ion Mobility Spectrometry (GC-IMS) Combined with Chemometrics

  • Mengmeng Li;Mengqi Sun;Wei Ren;Limin Man;Wenqiong Chai;Guiqin Liu;Mingxia Zhu;Changfa Wang
    • 한국축산식품학회지
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    • 제44권1호
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    • pp.165-177
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    • 2024
  • Volatile compounds (VOCs) are an important factor affecting meat quality. However, the characteristic VOCs in different parts of donkey meat remain unknown. Accordingly, this study represents a preliminary investigation of VOCs to differentiate between different cuts of donkey meat by using headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) combined with chemometrics analysis. The results showed that the 31 VOCs identified in donkey meat, ketones, alcohols, aldehydes, and esters were the predominant categories. A total of 10 VOCs with relative odor activity values ≥1 were found to be characteristic of donkey meat, including pentanone, hexanal, nonanal, octanal, and 3-methylbutanal. The VOC profiles in different parts of donkey meat were well differentiated using three- and two-dimensional fingerprint maps. Nine differential VOCs that represent potential markers to discriminate different parts of donkey meat were identified by chemometrics analysis. These include 2-butanone, 2-pentanone, and 2-heptanone. Thus, the VOC profiles in donkey meat and specific VOCs in different parts of donkey meat were revealed by HS-GC-IMS combined with chemometrics, whcih provided a basis and method of investigating the characteristic VOCs and quality control of donkey meat.

A Review of the Applications of Spectroscopy for the Detection of Microbial Contaminations and Defects in Agro Foods

  • Kandpal, Lalit Mohan;Cho, Byoung-Kwan
    • Journal of Biosystems Engineering
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    • 제39권3호
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    • pp.215-226
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    • 2014
  • Recently, spectroscopy has emerged as a potential tool for quality evaluation of numerous food and agricultural products because it provides information regarding both spectral distribution and image features of the sample (i.e., hyperspectral imaging). Spectroscopic techniques reveal hidden information regarding the sample and do so in a non-destructive manner. This review describes the various approaches of spectroscopic modalities, especially hyperspectroscopy and vibrational spectroscopies (i.e., Raman spectroscopy and Fourier transform near infrared spectroscopy) combined with chemometrics for the non-destructive assessment of contaminations and defects in agro-food products.