Discrimination of Wild-Grown and Cultivated <i>Ganoderma lucidum</i>by Fourier Transform Infrared Spectroscopy and Chemometric Methods

Wild-grown Ganoderma lucidum (G. lucidum), a traditional Chinese herbal medicine, is highly cherished and expensive for its medicinal efficiency. This study targets the development of an accurate and effective analytical method to distinguish wild-grown G. lucidum from cultivated ones, which are of essential importance for the quality assurance and estimation of its medicinal value. Furthermore, different parts of G. lucidum have been studied to examine the differences between wild-grown and cultivated ones. Fourier transform infrared (FTIR) diffuse reflectance spectroscopy combined with the appropriate chemometric method has been proven to be a rapid and powerful tool for discrimination of wild-grown and cultivated G. lucidum with classification accuracy of 98%. The informative spectral absorption bands for discrimination emphasized by the linear diagnostic rule have provided quantitative interpretations of the chemical constituents of wild-grown G. lucidum regarding its anticancer effects.

Rapid Method for the Determination of Total Monosaccharide in <i>Enterobacter cloacae</i>Strains Using Fourier Transform Infrared Spectroscopy

Fourier Transform Infrared Spectroscopy (FTIR) was used to quantify total monosaccharide content in the bacterium Enterobacter cloacae and several of its biofilm mutants. Bacterial biofilm samples were grown on trypticase soy agar, and 30 μL aliquots of aqueous sample bacterial plus biofilm were deposited into the center of barium fluoride crystals and dried at 50°C for 1-hour before being scanned by FTIR. The total amounts of monosaccharides were estimated using the absorbance of the mono-saccharide peak, 1192 - 958 cm–1, and normalized using the amide II peak, 1585 - 1483 cm–1. This method provided a linear correlation between the absorbance of the monosaccharide peak and concentration of monosaccharide in standard monosaccharides, fructose, glucose, mannose, and rhamnose, over a concentration range of 0.5 - 2.0 mg/mL.

GP Algorithm-Based Fourier Transform Infrared Spectrum Trend Term Removal Model

Trend term removal is a key step in Fourier transform infrared spectroscopy(FTIR)data pre-processing.The most commonly used least squares(LS)method,although satisfying the real-time requirement,has many problems such as highly correlated initial values of the expression parameters,the need to pre-estimate the trend term shape,and poor fitting accuracy at low signal-to-noise ratios.In order to achieve real-time and robust trend term removal,a new trend term removal method using genetic programming(GP)in symbolic regression is constructed in this paper,and the FTIR simulation interference results and experimental measurement data for common volatile organic compounds(VOCs)gases are analyzed.The results show that the genetic programming algorithm can both reduce the initial value requirement and greatly improve the trend term accuracy by 20%-30% in three evaluation indicators,which is suitable for gas FTIR detection in complex scenarios.

In vivo and in situ detection of colorectal cancer using Fourier transform infrared spectroscopy

AIM: Real-time and rapid identification of the malignant tissue can be performed during or before surgical operation.Here we aimed to detect in vivo and in situ colorectal cancer by using Fourier transform infrared (FTIR) spectroscopy and fiber-optic technology.METHODS: A total of five patients with large intestine cancer were detected in vivo and in situ. Of them, three cases of colon cancer and one case of cecum cancer were detected intraoperatively and in vivo by using a FTIR spectrometer during surgical operation, and one case of rectum cancer was explored non-invasively and in vivo before the surgical operation. Normal and malignant colorectal tissues were detected in vivo and in situ using FTIR spectroscopy on the basis of fundamental studies.RESULTS: There were significant differences between FTIR spectra of normal and malignant colorectal tissues detected in vivo and in situ. Experimental results revealed that the spectral characteristics of normal and malignant tissues found in vivo and in situ were similar to those obtained from in vitro measurement in our previous fundamental research.CONCLUSION: FTIR fiber-optic attenuated total reflectance (ATR) spectroscopy can identify in situ and in vivo colorectal cancer. FTIR spectroscopic method with fiber optics is a non-invasive, rapid, accurate and in vivo cancer detection technique in clinical diagnosis.

Mathematic Models for Analysis of Quality Components in Sugarcane Juice with Fourier Transform Near Infrared Spectroscopy

With the technique of Fourier transform near infrared (FT-NIR) spectroscopy, the calibration models for quantitative analysis of sucrose and polarization in sugarcane juice were developed by using transmission mode and calibrating with partial least square (PIS) algorithm. The determination coefficients (R2)of the predicted models for sucrose and polarization in juice were 0. 9980 and 0. 9979 respectively; the root mean square errors of cross validation (RMSECV) were 0. 143 and 0. 155% for sucrose and polarization in juice respectively. The predictive errors measured by FT-NIR were close to those by routine laboratory methods. The results demonstrated that the FT-NIR methods had high accuracy and they were able to replace the routine laboratory analysis. It was also demonstrated that as a rapid and accurate measurement, the FT-NIR technique had potential applications in quality control of mill sugarcane, establishment of payment system based on sugarcane quality, and selection of clones in sugarcane breeding.

Fourier transform infrared spectroscopy analysis of the active components in serum of rats treated with Zuogui Pill

Objective:To investigate the active components Zuogui Pill,a typical recipe for nourishing kidney essence in the traditional Chinese medicine.Methods:Adult male Sprague Dawley rats were treated with the traditional Chinese herbal medicine Zuogui Pill and the active components found in the serum of the animals were analyzed by Fourier transform infrared(FTIR)spectroscopy.FTIR spectra of serum samples of treated and untreated rats were analyzed and the A2960/A2931 and A1540/A1080 ratios were calculated.Results:A2960/A2931 ratios of the serum samples collected following the administration of Zuogui Pill were significantly higher than those of the normal serum samples.FTIR data were then fitted using a Gaussian equation for wave numbers in the range of 1140e1000 cm
1.ARNA/ADNA ratios in the serum of rats treated with Zuogui Pill were higher than those found in normal rat serum.Conclusion:FTIR spectroscopy could be used as an analytical tool to detect the activecomponents in serum of animals treated with Zuogui Pill.

The application of Fourier transform mid-infrared(FTIR) spectroscopy to identify variation in cell wall composition of Setaria italica ecotypes

Cell wall composition in monocotyledonous grasses has been identified as a key area of research for developing better feedstocks for forage and biofuel production.Setaria viridis and its close domesticated relative Setaria italica have been chosen as suitable monocotyledonous models for plants possessing the C_4 pathway of photosynthesis including sorghum,maize,sugarcane,switchgrass and Miscanthus×giganteus.Accurate partial least squares regression(PLSR)models to predict S.italica stem composition have been generated,based upon Fourier transform mid-infrared(FTIR)spectra and calibrated with wet chemistry determinations of ground S.italica stem material measured using a modified version of the US National Renewable Energy Laboratory(NREL)acid hydrolysis protocol.The models facilitated a high-throughput screening analysis for glucan,xylan,Klason lignin and acid soluble lignin(ASL)in a collection of 183 natural S.italica variants and clustered them into classes,some possessing unique chemotypes.The predictive models provide a highly efficient screening tool for large scale breeding programs aimed at identifying lines or mutants possessing unique cell wall chemotypes.Genes encoding key catalytic enzymes of the lignin biosynthesis pathway exhibit a high level of conservation with matching expression profiles,measured by RT-q PCR,among accessions of S.italica,which closely mirror profiles observed in the different developmental regions of an elongating internode of S.viridis by RNASeq.

A simple,sensitive and non-destructive technique for characterizing bovine dental enamel erosion:attenuated total reflection Fourier transform infrared spectroscopy

Although many techniques are available to assess enamel erosion in vitro, a simple, non-destructive method with suf fi cient sensitivity for quantifying dental erosion is required. This study characterized the bovine dental enamel erosion induced by various acidic beverages in vitro using attenuated total re fl ection Fourier transform infrared(ATR-FTIR) spectroscopy. Deionized water(control) and 10 acidic beverages were selected to study erosion, and the p H and neutralizable acidity were measured.Bovine anterior teeth(110) were polished with up to 1 200-grit silicon carbide paper to produce fl at enamel surfaces, which were then immersed in 20 m L of the beverages for 30 min at 37 °C. The degree of erosion was evaluated using ATR-FTIR spectroscopy and Vickers' microhardness measurements. The spectra obtained were interpreted in two ways that focused on theν_1, ν_3phosphate contour: the ratio of the height amplitude of ν_3PO_4to that of ν_3PO_4(Method 1) and the shift of the ν_3PO_4peak to a higher wavenumber(Method 2). The percentage changes in microhardness after the erosion treatments were primarily affected by the p H of the immersion media. Regression analyses revealed highly signi fi cant correlations between the surface hardness change and the degree of erosion, as detected by ATR-FTIR spectroscopy(Po0.001). Method 1 was the most sensitive to these changes, followed by surface hardness change measurements and Method 2. This study suggests that ATRFTIR spectroscopy is potentially advantageous over the microhardness test as a simple, non-destructive, sensitive technique for the quanti fi cation of enamel erosion.

Use of Fourier-transform infrared spectroscopy to rapidly diagnose gastric endoscopic biopsies

AIM: To determine if Fourier-transform infrared (FT-IR)spectroscopy of endoscopic biopsies could accurately diagnose gastritis and malignancy.METHODS: A total of 123 gastroscopic samples, including 11 cases of cancerous tissues, 63 cases of chronic atrophic gastritis tissues, 47 cases of chronic superficial gastritis tissues and 2 cases of normal tissues, were obtained from the First Hospital of Xi'an Jiaotong University, China. A modified attenuated total reflectance (ATR) accessory was linked to a WQD-500 FT-IR spectrometer for spectral measurement followed by submission of the samples for pathologic analysis. The spectral characteristics for different types of gastroscopic tissues were summarized and correlated with the corresponding pathologic results.RESULTS: Distinct differences were observed in the FTIR spectra of normal, atrophic gastritis, superficial gastritis and malignant gastric tissues. The sensitivity of FT-IR for detection of gastric cancer, chronic atrophic gastritis and superficial gastritis was 90.9%, 82.5%, 91.5%, and specificity was 97.3%, 91.7%, 89.5% respectively.CONCLUSION: FT-IR spectroscopy can distinguish gastric inflammation from malignancy.

Fourier transform infrared spectroscopy of gallbladder carcinoma cell line

BACKGROUND:Fourier transform infrared(FT-IR) spectroscopy is a physical method applied to the study of cellular changes at the molecular level in various normal and diseased human tissues,including cancer.This study was undertaken to establish a cellular basis for the diagnosis of carcinoma tissue,using FT-IR spectroscopy to study a carcinoma cell line and investigating the specific spectral features of the cell line. METHODS:The FT-IR spectra of cultured gallbladder carcinoma cells(GBC-SD)smeared on a BaF2 window were measured with a Nicolet Magna750-ⅡFT-IR spectrometer. A comparative study was subsequently carried out between the spectra of cultured gallbladder carcinoma cells and those of corresponding carcinoma tissue. RESULTS:Several infrared spectral features were obtained, and the results suggest that the spectral features of the carcinoma cell line reflect those of carcinoma tissue, though the latter are more complex,probably due to the intrinsic complexity of the tissue. CONCLUSION:The diagnosis of carcinoma tissue by FT- IR spectroscopy has a sufficient cellular basis.

Identification of Plant-Pathogenic Fungi Using Fourier Transform Infrared Spectroscopy Combined with Chemometric Analyses

Identification of plant-pathogenic fungi is time-consuming due to cultivation and microscopic examination and can be influenced by the interpretation of the micro-morphological characters observed.The present investigation aimed to create a simple but sophisticated method for the identification of plant-pathogenic fungi by Fourier transform infrared(FTIR)spectroscopy.In this study,FTIR-attenuated total reflectance(ATR)spectroscopy was used in combination with chemometric analysis for identification of important pathogenic fungi of horticultural plants.Mixtures of mycelia and spores from 27fungal strains belonging to nine different families were collected from liquid PD or solid PDA media cultures and subjected to FTIR-ATR spectroscopy measurements.The FTIR-ATR spectra ranging from 4 000to 400cm-1 were obtained.To classify the FTIRATR spectra,cluster analysis was compared with canonical vitiate analysis(CVA)in the spectral regions of3 050~2 800and 1 800~900cm-1.Results showed that the identification accuracies achieved 97.53%and99.18%for the cluster analysis and CVA analysis,respectively,demonstrating the high potential of this technique for fungal strain identification.

Evaluation of Fourier Transform Infrared Spectroscopy for Diagnosis of Peroxisomal Diseases with Abnormal Very-Long-Chain Fatty Acid Metabolism

Very long chain fatty acids (VLCFAs) are accumulated in cells and blood in patients with peroxisomal diseases, such as adrenoleukodystrophy (ALD) and Zellwger Syndrome (ZS). The purpose of this study is to investigate usefulness of Fourier transform infrared spectroscopy (FTIR) with attenuated total reflection (ATR) analysis method for clinical diagnosis of those diseases, thereby we measured the infrared spectra of the sera of patients and healthy controls. Correlation coefficients between 2nd derivative FTIR spectra of the serum samples and the VLCFA content ratio which is used as a clinical parameter to date were comprehensively calculated to investigate which wavenumber showed high correlation with the VLCFA ratio. Multiple regression analysis using the serum FTIR spectra showed that high correlations were observed with VLCFA ratios (C26:0/C22:0 ratio), and we could construct a suitable regression model (R2 = 0.97, p ﹣19). In addition, the model system using various VLCFAs in newborn bovine serum also showed that several FTIR peaks in 800 ~ 900 cm﹣1 region were found to have good correlation with VLCFA ratios. Our results support that FTIR analysis is useful for diagnosis of peroxisomal diseases.

Identification of Eight Carnation Cultivars by Fourier Transform Infrared(FTIR) Spectroscopy

In order to distinguish eight carnation cultivars,40 samples were analyzed by Fourier transform infrared(FTIR) spectroscopy combined with principal component analysis(PCA) and hierarchical cluster analysis(HCA).According to the results,infrared spectra of eight carnation cultivars were similar,but significant differences were observed in wave numbers and absorption peak intensities in the range of 1 800-700 cm^(-1).The second order derivative spectra in the range of 1 800-700 cm^(-1) were selected to perform principal component analysis(PCA) and hierarchical cluster analysis(HCA).The cumulative contribution rate of the first three principal components reached 96.2%.The classification accuracy rate of PCA and HCA was 95% and 100%,respectively.The results demonstrated that Fourier transform infrared(FTIR) spectroscopy combined with principal component analysis(PCA) and hierarchical cluster analysis(HCA) could be used for identification of different carnation cultivars.

Infrared Spectroscopy-Based Chemometric Analysis for Lard Differentiation in Meat Samples

One of the most pressing concerns for the consumer market is the detection of adulteration in meat products due to their preciousness.The rapid and accurate identification mechanism for lard adulteration in meat products is highly necessary,for developing a mechanism trusted by consumers and that can be used to make a definitive diagnosis.Fourier Transform Infrared Spectroscopy(FTIR)is used in this work to identify lard adulteration in cow,lamb,and chicken samples.A simplified extraction method was implied to obtain the lipids from pure and adulterated meat.Adulterated samples were obtained by mixing lard with chicken,lamb,and beef with different concentrations(10%–50%v/v).Principal component analysis(PCA)and partial least square(PLS)were used to develop a calibration model at 800–3500 cm^(−1).Three-dimension PCA was successfully used by dividing the spectrum in three regions to classify lard meat adulteration in chicken,lamb,and beef samples.The corresponding FTIR peaks for the lard have been observed at 1159.6,1743.4,2853.1,and 2922.5 cm−1,which differentiate chicken,lamb,and beef samples.The wavenumbers offer the highest determination coefficient R2 value of 0.846 and lowest root mean square error of calibration(RMSEC)and root mean square error prediction(RMSEP)with an accuracy of 84.6%.Even the tiniest fat adulteration up to 10%can be reliably discovered using this methodology.

Classification of Toxic Cyanobacterial Blooms by Fourier-Transform Infrared Technology (FTIR)

Cyanobacteria are gram-negative photosynthetic bacteria capable of producing toxins responsible for morbidity and mortality in humans and domestic animals. They are capable of forming concentrated blooms, referred to as harmful algal blooms (HABs). Characterization of HABs is necessary to reduce risks from human and animal exposures to toxins. Current methods used to classify cyanobacteria and cyanotoxins have limitations related to time, analyst skills, and cost. Fourier-Transform Infrared Spectroscopy (FTIR) is a potential tool for rapid, robust cyanobacterial classification that is not limited by these factors. To examine the practicality of this method, library screening with default software algorithms was performed on HAB samples, followed by principle component cluster analyses and dendrogram analysis of samples meeting minimum quality requirements. Two tested spectrometers and software packages were successful at distinguishing cyanobacteria from green algae. Principle component cluster analysis and dendrogram analysis also resulted in clear differentiation between cyanobacteria and green algae. While these methods cannot be used independently to fully characterize HABs, they show the potential and practicality of FTIR as a screening tool.

Fourier Transform Infrared Spectroscopic Study of Sodium Phosphate Solids and Solutions

Solids and solutions of sodium phosphates with various chain lengths have been studied by using the techniques of diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy and attenuated total reflection- Fourier transform infrared ( ATR- FTIR ) spectroscopy, respectively. A systematic study of the infrared spectra of the solid sodium phosphates has been conducted on the basis of the information available in the literatures to establish the assignments of the infrared vibrations of the different groups in the phosphate molecules . The infrared spectra of the solutions of sodium phosphates have been analyzed according to the infrared study on the relevant solids , in conjunction with the study of the phosphate species distribution in solution on the basis of the acid- base reaction equilibria. The results obtained have revealed the correlations between the infrared absorption spectra and the structure of the different P-O groups in different hinds of phosphates and are useful in the analysis of

Fourier transform infrared spectral features of plant biomass components during cotton organ development and their biological implications

Background:The majority of attenuated total reflection Fourier transform infrared(ATR FT-IR)investigations of cotton are focused on the fiber tissue for biological mechanisms and understanding of fiber development and maturity,but rarely on other cotton biomass comp on ents.This work examined in detail the ATR FT-IR spectral features of various cott on tissues/organs at reproductive and maturation stages,an a lyzed and discussed their biological implications.Results:The ATR FT-IR spectra of these tissues/organs were an a lyzed and compared with the focus on the lower wavenumber fingerprinting range.Six outstanding FT-IR bands at 1730,1620,1525,1235,1050 and 895 cm^(-1) represented the major C=O stretching,protein Amide I,Amide II,the O-H/N-H deformation,the total C-O-C stretching and the β-glycosidic linkage in celluloses,respectively,and impacted differently between these organs with the two growth stages.Furthermore,the band intensity at 1620,1525,1235,and 1050 cm^(-1) were exclusively and significantly correlated to the levels of protein(Amide I bond),protein(Amide II bond),cellulose,and hemicellulose,respectively,whereas the band at 1730 cm^(-1) was negatively correlated with ash content.Conclusions:The resulting observations indicated the capability of ATR FT-IR spectroscopy for monitoring changes,transportation,and accumulation of the major chemical components in these tissues over the cotton growth period.In other words,this spectral technology could be an effective tool for physiological,biochemical,and morphological research related to cotton biology and development.

Feasibility assessment of phenotyping cotton fiber maturity using infrared spectroscopy and algorithms for genotyping analyses

Background:Cotton fiber maturity is an important property that partially determines the processing and performance of cotton.Due to difficulties of obtaining fiber maturity values accurately from every plant of a genetic population,cotton geneticists often use micronaire(MIC) and/or lint percentage for classifying immature phenotypes from mature fiber phenotyp es although they are complex fiber traits.The recent development of an algorithm for determining cotton fiber maturity(MIR)from Fourier transform infrared(FT-IR)spectra explores a novel way to measure fiber maturity efficiently and accurately.However,the algorithm has not been tested with a genetic population consisting of a large number of progeny pla,nts.Results:The merits and limits of the MIC-or lint percentage-bas ed phenotyping method were demonstrated by comparing the observed phenotypes with the predicted phenotypes based on their DNA marker genotypes in a genetic population consisting of 708 F2 plants with various fiber maturity.The observed MIC-based fiber phenotypes matched to the predicted phenotypes better than the observed lint percenta ge-based fiber phenotypes.The lint percentage was obtained from each of F2 plants,whereas the MIC values were unable to be obtained from the entire population since certain F2 plants produced insufficient fiber mass for their measurements.To test the feasibiility of cotton fiber infrared maturity(MIR)as a viable phenotyping tool for genetic analyses,we me asured FT-IR spectra from the second population composed of 80 F2 plants with various fiber maturities,determined MIR values using the algorithms,and compared them with their genotypes in addition to other fiber phenotypes.The results showed that MIR values were successfully obtained from each of the F2 plants,and the observed MIR-based phenotypes fit well to the predicted phenotypes based on their DNA marker genotypes as well as the observed phenotypes based on a combination of MIC and lint percentage.Conclusions:The M,R value obtained from FT-IR spectra of cotton fibers is able to accurately assess fiber maturity of all plants of a population in a quantitative way.The technique provides an option for cotton geneticists to determine fiber maturity rapidly and efficiently.

Determination of creatinine level in patient blood samples by Fourier NIR spectroscopy and multivariate analysis in comparison with biochemical assay

In this paper,in vivo spectra from 23 patients'blood samples with various Creatinine(Cr)concentration levels ranging from 0.96 to 12.5 mg/dL were measured using Fourier transform near-infrared spectrometer(FT-NIRS)and spectrum quantitative analysis method.Since Cr undergoes passive filtration,it serves as a key biomarker of kidneys function via the estimation of glomerular filtration rate.Thus,increased blood Cr concentration reflects impaired renal func-tion.After spectra pre processing and outlier exclusion,a spectral model was developed based on partial least squares regression(PLSR)method,wherein Cr concentrations correlated with filtered NIR spectra across several peaks,where Cr is know n to absorb NIR light.Several statistical metrics were applied to estimate the model efficiency during data analysis.Comparison of spectra-derived concentrations to reference Cr measurements by the current gold-standard Jaffe's method held in hospital lab revealed a Cr prediction accuracy of 1.64 mg/dL with good corre-lation of R=0.9.Bland-Altman plots were used to compare between our calculations and ref-erence lab values and reveal minimal bias between the two.The finding presented the potential of FT-NIRS coupled with PLSR technique for Cr determination.