ライフサイエンスコーパス: chemometric

1 using systems by UV-VIS-NIR spectroscopy and chemometrics.

2 ates scientists to exploit the advantages of chemometrics.

3 nm excitation and 620 spectra analysed with chemometrics.

4 ymes by using near infrared spectroscopy and chemometrics.

5 ound roasted coffee by using voltammetry and chemometrics.

6 d using proton NMR spectroscopy coupled with chemometrics.

7 oneys according to geographical origin using chemometrics.

8 tiate Caucasian and Black semen donors using chemometrics.

9 olution mass spectrometry (UPLC-QTof-MS) and chemometrics.

10 R-FTIR spectroscopic technique combined with chemometrics.

11 ea by using FTIR-ATR technique combined with chemometrics.

12 nd recorded fingerprints in combination with chemometrics.

13 operties of isolated quinoa starches through chemometrics.

14 ansform infrared spectroscopy (ATR-FTIR) and chemometrics.

15 rm infrared (ATR-FTIR) spectra combined with chemometrics.

16 ime-domain spectroscopy system combined with chemometrics.

17 sment of human biofluids in combination with chemometrics.

18 Contemporary developments in the use of chemometrics afford us the ability to predict changes in

19 Different chemometric algorithms were tested to classify the spect

20 stem, processing the collected data with two chemometric algorithms: multivariate curve resolution wi

21 The combination of FT-ICR-MS and chemometrics allowed the distinction of whiskies from fo

22 Chemometrics allowed the selection of 12 compounds, whic

23 ability through twelve weeks of storage, and chemometric analyses efficiently distinguished the metab

24 Chemometric analyses of far-field Raman spectra accurate

25 Chemometric analyses revealed 8 significant overlapping

26 Indeed, chemometric analyses revealed novel peptidoglycan struct

27 determined by capillary electrophoresis and chemometric analyses.

28 The results obtained were also subjected to chemometric analyses.

29 Chemometrics analyses enabled distinct differentiation o

30 The chemometric analysis (cluster analysis and principal com

31 ul results obtained confirmed suitability of chemometric analysis applied to NIRS data for fast authe

32 ts of the use of LIBS technique coupled with chemometric analysis are discussed in terms of its poten

33 consider the Raman spectroscopy coupled with chemometric analysis as a rapid way for the detection of

34 ined via ATR-FT-IR spectroscopy coupled with chemometric analysis can be utilized for rapid, low-cost

35 ecifically, Raman spectroscopy combined with chemometric analysis can provide an improved method of o

36 They combine achievements of chemometric analysis employed for many years in electron

37 idney, large intestine and liver tissues and chemometric analysis enabled unique or significant marke

38 s the number of variables, allowing distinct chemometric analysis in nontargeted studies, such as det

39 Multivariate or chemometric analysis is an approach that allows for the

40 Chemometric analysis methods revealed superior beans for

41 Combined chemometric analysis of (1)H NMR-, (13)C NMR-spectroscop

42 This article reports a chemometric analysis of 41 lager beers by evaluating ana

43 The chemometric analysis of combined data (IRMS, GC, NMR) re

44 Chemometric analysis of combined data sets from both, st

45 Unsupervised chemometric analysis of LC-MS/MS data, however, revealed

46 entified by gas chromatography combined with chemometric analysis of milk fat FAs.

47 Chemometric analysis of near-infrared spectroscopy (NIRS

48 We show that chemometric analysis of peanut leaflet spectra provides

49 ation of the pH of aqueous solutions through chemometric analysis of Raman spectra.

50 Both peak ratio and unsupervised chemometric analysis of RE-AFM-IR nanospectra generated

51 C x GC - HRMS) and 2D-CHEMSIC (2-Dimensional CHEMometric analysis of Selected Ion Chromatograms), an

52 ly different detection limits of NMR and MS, chemometric analysis of the data yielded identical separ

53 The detailed chemometric analysis of the multisensor data allowed an

54 Chemometric analysis of the NMR spectra, utilizing both

55 In this work, a new strategy for the chemometric analysis of two-dimensional liquid chromatog

56 ver, Raman microspectroscopy combined with a chemometric analysis revealed significant changes in lyc

57 Although chemometric analysis showed 9-hydroxy-10,12-octadecadien

58 Multivariate chemometric analysis through principal component analysi

59 rum albumins and fluorescent indicators with chemometric analysis to differentiate a panel of mono-,

60 e assessed the suitability of RS combined to chemometric analysis to monitor the infection of an impo

61 ia electronic absorption spectroscopy, using chemometric analysis to separate enzyme-catalyzed MnO2 f

62 treated and treated tumors were subjected to chemometric analysis using multivariate curve resolution

63 ng oral-fluid specimens from volunteers, and chemometric analysis was considered for the development

64 uorescence microscopy combined with multiway chemometric analysis was investigated for the nondestruc

65 rrelate sensory, composition and maturation, chemometric analysis was used.

66 n in the context of other fluorophores using chemometric analysis, and demonstrate chemical reactivit

67 (1)H NMR metabolic profile, combined with chemometric analysis, evidenced significant differences

68 Raman data collected were used as inputs for chemometric analysis, which enabled us to develop two ma

69 etween 1734 and 1528 cm(-1) was selected for chemometric analysis.

70 nfrared spectroscopy (AFM-IR), combined with chemometric analysis.

71 terns were produced and digitally imaged for chemometric analysis.

72 oil samples by using Raman spectroscopy and chemometric analysis.

73 ferentiation power (p0.05) were selected for chemometric analysis.

74 elaboration of the results was supported by chemometric analysis.

75 in organic acids) in orange juice by NMR and chemometric analysis.

76 At the same time, chemometrics analysis demonstrated to be a powerful tool

77 FTIR-ATR combined with chemometrics analysis such as hierarchical cluster analy

78 Emerging chemometric and existing transcriptional approaches may

79 In addition, the various chemometric and statistical analyses of high-dimensional

80 eening method coupled to data analysis using chemometrics and a second method using LC-HRMS were deve

81 riate data analysis for outlier detection in chemometrics and engineering.

82 review to highlight the advantages of using chemometrics and sensors to identify hidden trends in en

83 Despite the combination of chemometrics and sensors, to capture new developments an

84 was to devise a complete procedure based on chemometrics and the use NIR spectroscopy at the entranc

85 A chemometric approach consisting in PARAFAC as second-ord

86 In the present work, we introduce a new chemometric approach to identify heavily weathered and c

87 ation followed by SERS analysis coupled with chemometric approach, enabled development of rapid and i

88 rom each other and from C. ericetorum by the chemometric approach.

89 liquid chromatography-mass spectrometry and chemometric approach.

90 cal marker has been identified, the (1)H NMR chemometrics approach may contribute in the choice of th

91 NMR, UPLC-HRMS, GC-MS analyses combined with chemometrics approach were applied to evaluate chemical

92 Innovative chemometric approaches by NMR and LC-MS data fusion (mul

93 In this work, two chemometric approaches for olive oil classification are

94 These results suggest that chemometric approaches have great potential for the impl

95 form infrared (ATR-FTIR) spectroscopy, using chemometric approaches, including feature selection algo

96 formed Infrared (ATR-FT-IR) spectroscopy and chemometric approaches.

97 sing HPLC/MS and, subsequently, two powerful chemometrics approaches (i.e., PCA and PLS-DA) were used

98 toresistive biochip, when pre-processing and chemometrics are used.

99 The findings support chemometrics as a tool for predicting important features

100 Finally, chemometric based SL(predicted) of 144 days closely pred

101 of environmental sensing, highlighting that chemometrics can be used to enhance our ability to monit

102 rent methodology, using NIR spectroscopy and chemometrics, can be seen as a promising rapid tool to d

103 Chemometric classification analysis showed that synergis

104 Chemometric classification models were built on individu

105 Methodologies for chemometric classification of five authentic red wine va

106 ction approaches and architect two different chemometrics classifiers -based on feature selection thr

107 the Raman-D(2)O approach, when coupled with chemometrics, constitutes a powerful approach for monito

108 ls based on IR fingerprint spectroscopy with chemometrics could provide scientific basis and referenc

109 at PTR-MS VOCs analysis, in combination with chemometrics, could be used to screen for the presence o

110 eprocessing is among the main bottlenecks in chemometric data analysis.

111 ry sophisticated and necessitates exploiting chemometric data processing techniques.

112 Furthermore, chemometric data treatment using unsupervised analysis (

113 Chemometric discrimination of extra virgin olive oils (E

114 eports the (poly)phenolic fingerprinting and chemometric discrimination of leaves of eight mulberry c

115 1)H NMR), conventional chemical analysis and chemometric elaboration were used to assess quality and

116 Combining these approaches with chemometrics enabled pH changes to be monitored with an

117 on the chromatographic-saturation factor and chemometric-enhanced peak capacity.

118 ic pathway that reduces Rs* and improves the chemometric-enhanced peak capacity.

119 nts (Li, Mg, Mn, Ni, Co, Cu, Sr, Ba, Pb) via chemometric evaluation facilitated classification of hon

120 les from two harvest years were analyzed and chemometric evaluation was performed to identify signifi

121 not only the question of the application of chemometrics for aroma analysis but also of the use of d

122 n spectroscopy (LIBS) analysis combined with chemometrics for at-line monitoring of ash, potassium an

123 onal fluorescence spectroscopy combined with chemometrics for characterization and authentication of

124 he calibration models generated by different chemometrics for grain protein (GPC) and amylose content

125 We also aimed at applying chemometrics for modeling beer's antioxidant capacity as

126 loped Raman spectroscopy in combination with chemometrics for the quantification of adulteration of f

127 Peptidomics and chemometrics further revealed that proteolysis mostly ha

128 troscopy (FT-MIR and FT-NIR) associated with chemometrics, geographical origin traceability was achie

129 In this sense, ICP-MS combined with chemometrics has demonstrated its usefulness in food aut

130 Chemometrics has the potential to embolden microfluidics

131 ractions were elucidated using the so-called Chemometric Identification of Substrates and Element Dis

132 n individual submicron sample volume enables chemometric identification of treatment and biochemical

133 Using (1)H MRS in combination with chemometrics identified several metabolic alterations in

134 ibutes, confirming the potential of FTIR and chemometrics in coffee quality evaluation.

135 ght contribute to the rapid applicability of chemometrics in evaluating novel food material.

136 (1)H NMR fingerprinting in combination with chemometrics in order to build models able to classify t

137 ted feasibility of ATR-FTIR spectroscopy and chemometrics in rapid detection and quantification of AF

138 pic and chromatographic methods coupled with chemometric interpretation of the data.

139 The study revealed that LIBS combined with chemometrics is a convenient method to quantify concentr

140 roscopy and thermogravimetry associated with chemometrics is developed, providing a multiparametric c

141 the adulterant used by means of (1)H NMR and chemometrics is reported.

142 Chemometrics is widely used to solve various quantitativ

143 The chemometric issues related to the application of non-tar

144 timization processes were performed with the chemometric method of response surface modeling with suf

145 imentally determined and is dependent on the chemometric method to be applied.

146 Using this chemometric method, the optimum values of pH, absorption

147 at different wavelengths by applying PARAFAC chemometric method.

148 5-1520 cm(-1)) spectral bands were used in a chemometric method.

149 A self-optimizing chemometrics method facilitates scientists to exploit th

150 The adopted chemometric methodologies were able to describe the diff

151 plot) used to compare results of implemented chemometric methods (HCA, PAM, and PCA) done on FTIR spe

152 Then, advanced chemometric methods (i.e. multivariate curve resolution

153 -IR spectral information in combination with chemometric methods (principle components analysis (PCA)

154 de and graphite electrode) was combined with chemometric methods - partial least squares (PLS) and ar

155 Chemometric methods and correlation of spectroscopic or

156 xploiting (1)H NMR analysis and multivariate chemometric methods and the targeted approach identified

157 ysis, spectroscopic techniques combined with chemometric methods can be applied to achieve a reliable

158 ogical spectral fingerprints require complex chemometric methods for proper analysis.

159 Multivariate chemometric methods have brought about great progress in

160 For many years, an extensive array of chemometric methods have provided a platform upon which

161 In very complex mixtures, classification by chemometric methods may be limited by the difficulties t

162 ierarchical cluster analysis (HCA), multiple chemometric methods of analysis, including principal-com

163 omeric fragment mixtures in conjunction with chemometric methods provide a useful addition to the ana

164 This is the first study to use chemometric methods to differentiate among 21 cultivars

165 ear infrared (NIR) spectroscopy coupled with chemometric methods to discriminate samples of high-qual

166 Applying chemometric methods to environmental data allows us to i

167 00 cm(-1)) of olive oils were analyzed using chemometric methods to identify the four main sensorial

168 ence spectroscopy combined with second-order chemometric methods was investigated for the quantificat

169 Chemometric methods were used both at experimental desig

170 frared spectroscopy (ATR-FTIR) combined with chemometric methods were used for classification of six

171 Infrared spectroscopic techniques and chemometric methods were used to study oxidation of oliv

172 However, after applying chemometric methods, changes in the data could be found

173 Some chemometric methods, such as k-nearest neighbours (kNN),

174 Additionally, using chemometric methods, we distinguished between healthy an

175 e large spectral data sets that benefit from chemometric methods.

176 neous spectrophotometric determination using chemometric methods.

177 active gases was demonstrated using standard chemometric methods.

178 icated that THz spectroscopic techniques and chemometrics methods could be new feasible ways to diffe

179 racted, and the datasets were analyzed using chemometrics methods such as principal component and hie

180 SOSVEN was compared with two parameter-free chemometrics methods, super partial least-squares regres

181 stigation of calibration effectiveness using chemometrics methods; and v) comparison with state-of-th

182 Using a chemometric model of chemical-morphological constituents

183 This confirms that the chemometric model properly describes the melissopalynolo

184 46 flavonoid reference standards and a novel chemometric model that uses stepwise strategy and projec

185 e a quantitative partial least-squares (PLS) chemometric model to measure and monitor the concentrati

186 Finally, a chemometric model was constructed in an attempt to diffe

187 A chemometric model was created recording the volatile fin

188 The results generated by the developed chemometric model, for species differentiation, were com

189 were the same as those individuated with the chemometric model.

190 FP) with the target enzymes to calibrate the chemometric model.

191 nges with pH due to changing speciation, and chemometric modeling can be successfully utilized to cor

192 Subsequent chemometric modeling can be used to correlate spectral r

193 Chemometric modelling revealed a metabolic variation tra

194 Additional chemometric modelling, a partial least squares regressio

195 pplied to multielement distribution to build chemometric models able to authenticate chili pepper sam

196 The applied chemometric models allowed the tentative identification

197 e through development of globally accessible chemometric models for portable near infrared devices, d

198 s (PLS) data treatment, were used to develop chemometric models for the prediction of mineral concent

199 n of data from the two harvests to build the chemometric models improved the percentages of success (

200 Different chemometric models were investigated using the data obta

201 we propose a new approach for validation of chemometric models.

202 999 patients who were enrolled in the COLOR (Chemometric Observations of Lipid Core Plaques of Intere

203 successfully using Raman microscopy combined chemometrics of PCA (Principal Component Analysis) and H

204 aturity, the analytical results coupled with chemometrics offered a rapid and detailed profiling of t

205 -CHEMSIC performs pixel-based analysis using chemometrics on concatenated sections of 2D extracted io

206 Chemometrics on negative ionization mode dataset showed

207 nd that NIR spectroscopy in combination with chemometrics (Partial Least Squares Regression) can pred

208 t reduces the saturation of the sample and a chemometric pathway that reduces Rs* and improves the ch

209 acent center, and this led us to implement a chemometric patterning approach, resulting in a 4% absol

210 The resulting chemometric patterns were used as a training space for w

211 The MicroNIR-chemometric platform provided the simultaneous predictio

212 A novel, entirely automated MicroNIR-chemometric platform was developed for the "lab-on-click

213 ities of data are obtained and an exhaustive chemometric processing is required.

214 tages, applications, and implications of the chemometric processing of DART-MS derived seed chemical

215 es identification and classification through chemometric processing of direct analysis in real time (

216 se of retention-time windows facilitated the chemometric recognition and discrimination of the compon

217 The objectives were: (1) the chemometric resolution of profiles in the modes represen

218 hromatographic resolution Rs at some minimum chemometric resolution, Rs*; that is to say, successful

219 ic liquid volume and extraction time and the chemometric response was tin recovery.

220 The spectroscopic data were processed using chemometrics, resulting in a distinction of varieties wi

221 After chemometric sample extraction optimization, an aqueous d

222 According to chemometrics, samples processed at higher temperature ex

223 R analysis of the dry material combined with chemometrics served to rapidly sort out samples containi

224 The application of chemometrics simplified the kinetic interpretations and

225 ow that Raman spectral images analyzed using chemometric statistical approaches are appropriate for t

226 liquid chromatography, is described and the chemometric strategies applied and discussed.

227 The developed chemometric strategies of this study are not only suitab

228 In our study, the first untargeted chemometric strategy is developed and employed in the an

229 The chemometric strategy used showed that headspace analysis

230 This appears to be the first chemometrics study of FMP; the spectral analytical model

231 ay mass spectrometry (PS-MS) combined with a chemometric supervised method (partial least square disc

232 Chemometric Target Factor Analysis (TFA) and Hierarchica

233 The outcoming data were analysed by the chemometric technique called ANOVA-simultaneous componen

234 Infrared Spectroscopy (MIR) associated with chemometric technique of Partial Least Squares (PLS).

235 The combination "chromatographic dataset+chemometric technique" allowing the most accurate classi

236 trated that FTIR spectroscopy in tandem with chemometric techniques allows the creation of viable and

237 The feasibility of the application of chemometric techniques associated with multi-element ana

238 Exploratory chemometric techniques based on Principal Component Anal

239 set size and dimensionality increase, linear chemometric techniques like partial least squares discri

240 Using chemometric techniques the optical signal is processed p

241 -domain spectroscopy (THz-TDS) combined with chemometric techniques to discriminate and evaluate the

242 Raman spectroscopy in combination with three chemometric techniques to discriminate beef, lamb and ve

243 Chemometric techniques were employed to discriminate two

244 n FTIR (ATR-FTIR) spectroscopy combined with chemometric techniques were used to analyze blood plasma

245 Moreover, different chemometric techniques, based on CZE data, were examined

246 (ATR-FTIR) spectroscopy in conjunction with chemometric techniques, hence, providing a low-cost, fas

247 ambient particulate matter, using different chemometric techniques.

248 (PCA, HCA) and supervised (LDA, kNN and SVM) chemometric techniques.

249 hical origins through the application of the chemometric techniques.

250 peak area related to trans double bonds and chemometrics techniques of PLSR and PCR.

251 ospray ionization-MSI (DESI-MSI) and bespoke chemometrics to assess the phospholipidomes of esophagea

252 as to evaluate the potential of ATR-FTIR and chemometrics to discriminate espresso coffees with diffe

253 PLC-MS-based metabolomic approach coupled to chemometrics to evaluate the variability in Chenin Blanc

254 of FT-Raman spectroscopy in combination with chemometrics to infer about the quality of milk powder.

255 plies a HS-SPME-MS-enose in combination with chemometrics to obtain diagnostic mass-spectral patterns

256 result is postulated as a tool that exploits chemometrics to solve biosensors' interference problems,

257 Applications of the main chemometric tools (central composite and Box Behnken des

258 The procedure was optimized using chemometric tools and the variables pH = 4.0, 15 min ext

259 at the use of NIR, combined with some simple chemometric tools based on distances and residuals from

260 The use of spectroscopic and chemometric tools enabled the botanical and geographical

261 t untargeted lipidomics, in conjunction with chemometric tools has a significant potential for screen

262 ings demonstrate the discriminative power of chemometric tools on large cell wall-chromatographic dat

263 tion between these analytical techniques and chemometric tools proved that kaempferol-3-glucoside is

264 Then, these chemometric tools provided a successful classification o

265 of a portable NIR spectrometer combined with chemometric tools to discriminate milk chocolate, white

266 The ability of chemometric tools to extract specific molecular informat

267 ectral data sets imposes the use of advanced chemometric tools to extract valuable information on the

268 To go deeper in the molecular exploration, chemometric tools were applied on this spectral data set

269 Chemometric tools were used for experimental design and

270 Chemometric tools were used to classify the oil samples

271 as correlated to spectroscopic analysis, and chemometric tools were used to compare results and to de

272 ive milk peptides, including bioinformatics, chemometric tools, and proteomic/peptidomic methods.

273 and increases the interconnectivity between chemometric tools, providing a window for integrating da

274 Univariate and multivariate chemometric tools, such as analysis of variance (ANOVA),

275 ith photodiode array detection (cLC-DAD) and chemometric tools, was developed to determine phenolic c

276 he origin and the ripeness stage by applying chemometric tools.

277 ved detection and data processing, including chemometric tools.

278 to the percentage of blocked lysine by using chemometric tools.

279 ploying near infrared (NIR) spectroscopy and chemometric tools.

280 Different rice varieties and specific chemometrics tools, such as partial least squares (PLS),

281 of different producers were analyzed, and a chemometric treatment of raw spectra was applied.

282 nfrared (NIR) spectra of oils, associated to chemometric treatment, allowed the study of the inter-va

283 The data were treated using chemometric unsupervised classification tools and superv

284 Pattern recognition with chemometrics using principal component analysis (PCA) de

285 FT-NIR spectroscopy with chemometrics, using the first derivative plus vector nor

286 (1)H NMR spectroscopy combined with chemometrics was applied for the first time for golden r

287 NMR and chemometrics was applied to understand the variations in

288 metry (HS-SPME/MS-eNose) in combination with chemometrics was developed for the discrimination of ora

289 HPLC fingerprint analysis combined with chemometrics was developed to discriminate between the r

290 Raman spectroscopy coupled chemometrics was employed effectively for quantification

291 (1)H NMR spectroscopy combined with chemometrics was employed to discriminate lager beer sam

292 d mid-infrared (MIR) spectroscopy along with chemometrics was investigated for authentication and adu

293 d on ethanolic aqueous solution, cLC-DAD and chemometrics, was performed to extract and quantify poly

294 ar-infrared (NIR) spectroscopy combined with chemometrics were explored to classify Cabernet Sauvigno

295 (FT-IR) and Raman spectroscopy combined with chemometrics were investigated to quantify calcium (Ca)

296 Thus, NMR data and chemometrics were suitable to follow quality changes in

297 LC-HRMS, and HS-SPME/MS-eNose, combined with chemometrics, were used to classify two table grape cult

298 ted strong variation in seaweed powers using chemometrics, which might contribute to the rapid applic

299 tions of OOBs have been subjected to several chemometric works, quantitative evaluations of their con

300 at THz spectroscopy techniques together with chemometrics would be a promising technique to distingui