• 제목/요약/키워드: FTIR spectral analysis

검색결과 21건 처리시간 0.034초

Connection of spectral pattern of carbohydrate molecular structure to alteration of nutritional properties of coffee by-products after fermentation

  • Samadi;Xin Feng;Luciana Prates;Siti Wajizah;Zulfahrizal;Agus Arip Munawar;Weixian Zhang;Peiqiang Yu
    • Animal Bioscience
    • /
    • 제37권8호
    • /
    • pp.1398-1407
    • /
    • 2024
  • Objective: The objective of this study was to determine internal structure spectral profile of by-products from coffee processing that were affected by added-microorganism fermentation duration in relation to truly absorbed feed nutrient supply in ruminant system. Methods: The by-products from coffee processing were fermented using commercial fermentation product, consisting of various microorganisms: for 0 (control), 7, 14, 21, and 28 days. In this study, carbohydrate-related spectral profiles of coffee by-products were correlated with their chemical and nutritional properties (chemical composition, total digestible nutrient, bioenergy values, carbohydrate sub-fractions and predicted degradation and digestion parameters as well as milk value of feed). The vibrational spectra of coffee by-products samples after fermentation for 0 (control), 7, 14, 21, and 28 days were determined using a JASCO FT/IR-4200 spectroscopy coupled with accessory of attenuated total reflectance (ATR). The molecular spectral analyses with univariate approach were conducted with the OMNIC 7.3 software. Results: Molecular spectral analysis parameters in fermented and non-fermented by-products from coffee processing included structural carbohydrate, cellulosic compounds, non-structural carbohydrates, lignin compound, CH-bending, structural carbohydrate peak1, structural carbohydrate peak2, structural carbohydrate peak3, hemicellulosic compound, non-structural carbohydrate peak1, non-structural carbohydrate peak2, non-structural carbohydrate peak3. The study results show that added-microorganism fermentation induced chemical and nutritional changes of coffee by-products including carbohydrate chemical composition profiles, bioenergy value, feed milk value, carbohydrate subfractions, estimated degradable and undegradable fractions in the rumen, and intestinal digested nutrient supply in ruminant system. Conclusion: In conclusion, carbohydrate nutrition value changes by added-microorganism fermentation duration were in an agreement with the change of their spectral profile in the coffee by-products. The studies show that the vibrational ATR-FT/IR spectroscopic technique could be applied as a rapid analytical tool to evaluate fermented by-products and connect with truly digestible carbohydrate supply in ruminant system.

A comparison of ATR-FTIR and Raman spectroscopy for the non-destructive examination of terpenoids in medicinal plants essential oils

  • Rahul Joshi;Sushma Kholiya;Himanshu Pandey;Ritu Joshi;Omia Emmanuel;Ameeta Tewari;Taehyun Kim;Byoung-Kwan Cho
    • 농업과학연구
    • /
    • 제50권4호
    • /
    • pp.675-696
    • /
    • 2023
  • Terpenoids, also referred to as terpenes, are a large family of naturally occurring chemical compounds present in the essential oils extracted from medicinal plants. In this study, a nondestructive methodology was created by combining ATR-FT-IR (attenuated total reflectance-Fourier transform infrared), and Raman spectroscopy for the terpenoids assessment in medicinal plants essential oils from ten different geographical locations. Partial least squares regression (PLSR) and support vector regression (SVR) were used as machine learning methodologies. However, a deep learning based model called as one-dimensional convolutional neural network (1D CNN) were also developed for models comparison. With a correlation coefficient (R2) of 0.999 and a lowest RMSEP (root mean squared error of prediction) of 0.006% for the prediction datasets, the SVR model created for FT-IR spectral data outperformed both the PLSR and 1 D CNN models. On the other hand, for the classification of essential oils derived from plants collected from various geographical regions, the created SVM (support vector machine) classification model for Raman spectroscopic data obtained an overall classification accuracy of 0.997% which was superior than the FT-IR (0.986%) data. Based on the results we propose that FT-IR spectroscopy, when coupled with the SVR model, has a significant potential for the non-destructive identification of terpenoids in essential oils compared with destructive chemical analysis methods.

Effects of fermentation on protein profile of coffee by-products and its relationship with internal protein structure measured by vibrational spectroscopy

  • Samadi;Xin Feng;Luciana Prates;Siti Wajizah;Zulfahrizal;Agus Arip Munawar;Peiqiang Yu
    • Animal Bioscience
    • /
    • 제36권8호
    • /
    • pp.1190-1198
    • /
    • 2023
  • Objective: To our knowledge, there are few studies on the correlation between internal structure of fermented products and nutrient delivery from by-products from coffee processing in the ruminant system. The objective of this project was to use advanced mid-infrared vibrational spectroscopic technique (ATR-FT/IR) to reveal interactive correlation between protein internal structure and ruminant-relevant protein and energy metabolic profiles of by-products from coffee processing affected by added-microorganism fermentation duration. Methods: The by-products from coffee processing were fermented using commercial fermentation product, called Saus Burger Pakan, consisting of various microorganisms: cellulolytic, lactic acid, amylolytic, proteolytic, and xylanolytic microbes, for 0, 7, 14, 21, and 28 days. Protein chemical profiles, Cornell Net Carbohydrate and Protein System crude protein and CHO subfractions, and ruminal degradation and intestinal digestion of protein were evaluated. The attenuated total reflectance-Ft/IR (ATR-FTIR) spectroscopy was used to study protein structural features of spectra that were affected by added microorganism fermentation duration. The molecular spectral analyses were carried using OMNIC software. Molecular spectral analysis parameters in fermented and non-fermented by-products from coffee processing included: Amide I area (AIA), Amide II (AIIA) area, Amide I heigh (AIH), Amide II height (AIIH), α-helix height (αH), β-sheet height (βH), AIA to AIIA ratio, AIH to AIIH ratio, and αH to βH ratio. The relationship between protein structure spectral profiles of by-products from coffee processing and protein related metabolic features in ruminant were also investigated. Results: Fermentation decreased rumen degradable protein and increased rumen undegradable protein of by-products from coffee processing (p<0.05), indicating more protein entering from rumen to the small intestine for animal use. The fermentation duration significantly impacted (p<0.05) protein structure spectral features. Fermentation tended to increase (p<0.10) AIA and AIH as well as β-sheet height which all are significantly related to the protein level. Conclusion: Protein structure spectral profiles of by-product form coffee processing could be utilized as potential evaluators to estimate protein related chemical profile and protein metabolic characteristics in ruminant system.

유기산, 산화음이온 및 금속 산화물 간의 근권 내 상호작용 연구를 위한 계산화학과 적외선 분광학에 관한 총설: 기본적인 원리와 스펙트럼 처리 (Reviews in Infrared Spectroscopy and Computational Chemistry to Reveal Rhizospheric Interactions among Organic Acids, Oxyanions and Metal oxides: Fundamental Principles and Spectrum Processing)

  • 한준호;노희명
    • 대한환경공학회지
    • /
    • 제39권7호
    • /
    • pp.426-439
    • /
    • 2017
  • 이 총설은 근권에서 일어나는 유기산, 산화음이온, 그리고 금속 산화물 간의 상호작용을 이해하는데 활용하고 있는 적외선 분광학과 계산화학에 대한 기본적 원리, 역사, 적용 분야, 장점, 그리고 단점에 대해 최근 연구들을 바탕으로 요약하였다. 식물의 유기산과 금속 산화물은 토양 환경에서 산화음이온의 유효도와 이동성을 결정하기 때문에, 산화음이온의 환경 내 거동을 이해하기 위해서는 계면에서 이들의 상호작용을 이해하는 것이 중요하다. 적외선 분광학의 감쇠 전반사 기법은 계면에서 일어나는 화학적인 반응을 측정하는 강력한 도구이지만, 광학적 특성들이 실험 설계와 대상에 따라 매우 다르게 나타날 수 있으므로 이를 이용한 측정은 까다롭다. 전반사에 의해 발생하는 소멸파의 침투 깊이가 가장 중요한 매개 변수인데, 침투 깊이는 적외선의 입사각과 대상 파장, 그리고 매질의 굴절률에 따라 결정된다. 또한, 적외선을 이용하여 계면에서의 화학반응을 분석할 때 겹쳐서 발생하는 스펙트럼을 해석하는 것 역시 큰 문제이기 때문에, 겹쳐 나타나는 스펙트럼을 해석하여 밴드를 검출하고, 이 스펙트럼을 deconvolution하는 것이 필수적이다. 본 총설에서는 적외선스펙트럼을 처리하는 기본적인 절차와, 밴드 검출에 사용하는 네가지 방법인 도함수 분광학과 이차 상관 분광학, multivariate curve resolution, 계산 화학을 액체상에 존재하는 인산염 종분화로 설명하였다. 스펙트럼 처리와 계산 화학을 조합하였을 때 간단한 계에서 측정한 겹쳐진 스펙트럼 결과는 해석할 수 있었지만, 자연과 같은 복잡계에서 측정한 겹쳐진 스펙트럼을 해석하는 것은 여전히 불가능한 상황이다. 그러나 향후 분석 및 신호 처리 기술 발달에 따라 복잡계뿐만 아니라 자연계에서 일어나는 계면 반응을 해석할 수 있을 것으로 기대한다.

폴리피롤과 산화주석 복합재료를 이용한 센서의 가스 검지 특성 (Gas sensing property of polypyrrole and SnO2 composite)

  • 김도연;유준부;손성옥;허증수
    • 센서학회지
    • /
    • 제15권3호
    • /
    • pp.211-215
    • /
    • 2006
  • Conducting polymer (Polypyrrole) and Tin oxide ($SnO_{2}$) composite films have been fabricated with layer-by-layer technique. $SnO_{2}$ layer was screen-printed on $Al_{2}O_{3}$ substrate and then was dip-coated with polypyrrole (Ppy). The microstructures of composite films were evaluated by a field emission scanning electron microscope (FE-SEM) and FTIR spectral analysis. The change in sensitivity to various VOCs was observed. The target VOCs were methanol, ethanol, benzene and toluene. The sensitivities of the $Ppy/SnO_{2}$ sensor to benzene and toluene were very low at 1000 ppm (2.1 %, 1.5 %), while the sensitivities to methanol and ethanol was high (9 %, 11 %). It indicates that the sensors have selectivity to alcoholic gases such as methanol and ethanol.

Experimental and Theoretical Study on Corrosion Inhibition of Mild Steel in Oilfield Formation Water Using Some Schiff Base Metal Complexes

  • Mahross, M.H.;Efil, Kursat;El-Nasr, T.A. Seif;Abbas, Osama A.
    • Journal of Electrochemical Science and Technology
    • /
    • 제8권3호
    • /
    • pp.222-235
    • /
    • 2017
  • First, in this study, the inhibition efficiencies of metal complexes with Cu(II), Ni(II) and Zn(II) of STSC ligand for corrosion control of mild steel in oilfield formation water were investigated. The IEs for a mixture of 500 ppm STSC and 5 ppm metal ion ($Cu^{+2}$, $Ni^{+2}$, $Zn^{+2}$) were found to be 88.77, 87.96 and 85.13 %, respectively. The results were obtained from the electrochemical techniques such as open circuit potential, linear and tafel polarization methods. The polarization studies have showed that all used Schiff base metal complexes are anodic inhibitors. The protective film has been analyzed by FTIR technique. Also, to detect the presence of the iron-inhibitor complex, UV-Visible spectral analysis technique was used. The inhibitive effect was attributed to the formation of insoluble complex adsorbed on the mild steel surface and the adsorption process follows Langmuir adsorption isotherm. The surface morphology has been analyzed by SEM. Secondly, the computational studies of the ligand and its metal complexes were performed using DFT (B3LYP) method with the $6-311G^{{\ast}{\ast}}$ basis set. Finally, it is found that the experimental results were closely related to theoretical ones.

Evaluation of Inhibition Efficiency of Thymus Extract as a Corrosion Inhibitor of Aluminum Alloy 5083 in an Ethylene Glycol/NaCl Corrosive Medium

  • H. Hachelef;R. Mehdaoui;K. Hachama;M. Amara;A. Khelifa;A. Benmoussat;M. Hadj Meliani;Rami K. Suleiman
    • Corrosion Science and Technology
    • /
    • 제22권5호
    • /
    • pp.314-321
    • /
    • 2023
  • The aim of the present study was to investigate the effect of thymus extract on corrosion inhibition of aluminum 5083 alloy in a 0.1 M NaCl medium prepared using a mixture of ethylene glycol and water using potentiodynamic and electrochemical impedance spectroscopy (EIS) techniques. The potentiodynamic electrochemical technique showed an increase in corrosion inhibition efficiency starting from 49.63% at a concentration of 0.25 g/L to 92.71% at a maximum concentration of 1.25 g/L of the extract. These results were consistent with those obtained via EIS analysis. Spectral characterization of the tested plant extract using the Fourier-transform infrared spectroscopy (FTIR) technique confirmed the presence of organic compounds having different oxygen and aromatic functionalities in the extract that could help enhance the adsorption of these compounds on the aluminum surface. This study reveals possible adsorption isotherm of the thymus extract on the aluminum surface, supporting a Langmuir isotherm for the adsorption of inhibitor molecules on this surface.

Evaluation of Pb (II) and Cd (II) biosorption from aqueous solution by Ziziphus lotus stem powder (ZLSP)

  • Nosair El Yakoubi;Mounia Ennami;Naouar Ben Ali;Zineb Nejjar El Ansari;Mohammed L'bachir EL KBIACH;Loubna Bounab;Brahim El Bouzdoudi
    • Membrane and Water Treatment
    • /
    • 제15권2호
    • /
    • pp.89-98
    • /
    • 2024
  • The ability of Zizyphus lotus stem powder (ZLSP) to remove Pb (II) and Cd (II) ions from an aqueous solution was evaluated. The present phenomenon of biosorption was revealed to depend on pH, biosorbent dosage, temperature, initial ionic concentration, time of contact and biosorbent's particle size. The sorption process was exothermic (∆H°<0), and showing a strong Pb(II)/Cd(II)-ZLSP affinity (∆S°>0). Gibbs free energy data (∆G°<0, and decreases as temperature increase) reveals that the process studied is characterized by its feasibility and spontaneous nature. The best fits of the equilibrium data were obtained by the Temkin model and the Langmuir model. The maximum Pb(II)/Cd(II)-ZLSP biosorption capacities were 33.02 mg/g for Pb (II) and 20.73 mg/g for Cd (II). The pseudo-second order model was the most appropriate for fitting the kinetic data. The characterization of the biochemical groups essentially involved in the sorption phenomenon was made possible by FTIR spectral analysis. The capacity of ZLSP as an effective and ecofriendly biosorbent is confirmed through this study.

법주사 당간지주 지의류의 동정 및 FT-IR 스펙트럼 특성 분석 (Identification and FT-IR Spectrum Analysis of Lichens on Flagpole Support in Beopjusa Temple)

  • 김영희;이정민;최명주;홍진영;조창욱;김수지;정소영
    • 보존과학회지
    • /
    • 제33권5호
    • /
    • pp.391-398
    • /
    • 2017
  • 본 연구에서는 법주사 당간지주의 석재 표면에 서식하는 대표적인 생물피해 요인인 지의류에 대하여 조사하였다. 당간지주의 지의류는 5종으로 한정할 수 있다. 그 중 우점하는 2종의 고착상지의류는 Aspicilia sp.와 Pertusaria flavicans이며, 고착상지의류 위에 드물게 관찰되는 엽상지의류 1종과 수지상지의류 1종은 Xanthoparmelia conspersa와 Ramalina sekika로 동정되었다. 그리고 흑색조류층을 따라 서식하는 지의류는 Leprocaulon textum으로 확인되었다. 지의류가 생산하는 2차 대사산물을 분석하기 위하여 ATR FT-IR을 적용하였다. Xanthoparmelia conspersa와 Ramalina sekika의 FT-IR 스펙트럼을 비교해 본 결과, cyclic carbohydrate에 기인하는 C-O-C 결합과 carboxylic acid에서 기인하는 FT-IR 스펙트럼의 흡수피크가 특징적으로 관찰되어 이들이 생산하는 지의산이 서로 다르다는 것을 확인할 수 있었으며, stictic acid와 sekikaic acid가 Xanthoparmelia conspersa와 Ramalina sekika를 대표하는 지의산으로 화학구조에서 작용기의 차이에 의한 스펙트럼의 변화 및 특성을 확인할 수 있었다.

인삼의 Polyacetylene 화합물 (Polyacetylene Compounds from Panax ginseng C.A. Meyer)

  • 심상철;장석구
    • 고려인삼학회:학술대회논문집
    • /
    • 고려인삼학회 1988년도 학술대회지
    • /
    • pp.122-128
    • /
    • 1988
  • 폴리아세칠랜계 화합물이 함유된 인삼의 석유 에텔 추출물은 시험관내 실험에서 Sarcoma 180, Walker carcinosarcoma 256, $L_{1210}leukemic$ lympocyte의 성장을 억제한다. 우리는 석유 ether 추출물로 부터 몇가지 포리아세틸렌계 화합물을 분리하여 화학구조를 밝혔다. UV, IR $^{1}H$ NMR, $^{13}C$ NMR, EI mass, CI mas, 원소분석과 산화 또는 산촉매 가수분해와 같은 화학적인 방법으로 얻어진 자료에 근거하여 이들은 heptadeca-1,9-dien-4,6-diyn-3-ol, hepatadeca-l-en-4.6-diyn-9,10-epoxy-3-ol 및 hepatadeca-1,8-dien-4,6-diyn-3,10-diol로 밝혀 졌다.

  • PDF