ライフサイエンスコーパス: chemometric

1 oneys according to geographical origin using chemometrics.

2 mass spectrometry (IRMS) in combination with chemometrics.

3 y the MAPK groups and isoforms thereof using chemometrics.

4 eference methods and model development using chemometrics.

5 le metabolomic composition, was evaluated by chemometrics.

6 Classification is an important task in chemometrics.

7 tiate Caucasian and Black semen donors using chemometrics.

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

9 ospectroscopy in combination with innovative chemometrics.

10 to array sensing using optical detection and chemometrics.

11 ipening stages in the aroma profile by using chemometrics.

12 R-FTIR spectroscopic technique combined with chemometrics.

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

14 nd recorded fingerprints in combination with chemometrics.

15 operties of isolated quinoa starches through chemometrics.

16 d using proton NMR spectroscopy coupled with chemometrics.

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

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

19 ime-domain spectroscopy system combined with chemometrics.

20 sment of human biofluids in combination with chemometrics.

21 Based on UV-VIS spectroscopy and chemometrics, a screening method is proposed to quickly

22 Because the chemometric algorithm is capable of handling more than s

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

24 e assessment of food that when combined with chemometrics allows for the detection and quantification

25 conventional physico-chemical parameters and chemometric analyses (MANOVA and Linear Discriminant Ana

26 The chemometric analyses demonstrated that, rapeseed variety

27 Chemometric analyses of far-field Raman spectra accurate

28 Indeed, chemometric analyses revealed novel peptidoglycan struct

29 d often require proper calibrations prior to chemometric analyses.

30 The chemometric analysis (cluster analysis and principal com

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

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

33 y obtain a NMR peak feature matrix ready for chemometric analysis as well as metabolite identificatio

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

35 HPLC-MS with chemometric analysis has the potential to be used as an

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

37 ised linkage threshold method (ULT) based on chemometric analysis is described and applied to the ana

38 Chemometric analysis methods revealed superior beans for

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

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

41 Chemometric analysis of inductively coupled plasma optic

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

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

44 The chemometric analysis of multisensor hyperspectral data a

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

46 Chemometric analysis of the analytical data allowed the

47 The detailed chemometric analysis of the multisensor data allowed an

48 Chemometric analysis of the NMR spectra, utilizing both

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

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

51 atography and mass spectrometry and employed chemometric analysis to identify gender-specific VOCs.

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

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

54 -flight mass spectrometry coupled with rapid chemometric analysis were used to identify chemical diff

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

56 esolution mass spectrometry (UHPLC-HRMS) and chemometric analysis.

57 terns were produced and digitally imaged for chemometric analysis.

58 -pasta, using near-infrared spectroscopy and chemometric analysis.

59 also variable, VDTS can improve multivariate chemometric analysis.

60 rometry or to flame ionisation detection and chemometric analysis.

61 h the whole of the mass information from the chemometric analysis.

62 oil samples by using Raman spectroscopy and chemometric analysis.

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

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

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

66 tate NMR spectroscopic methods combined with chemometrics analysis to probe sorption behavior of the

67 In this study, different chemometric and statistical data evaluation methods, bas

68 data sets were analyzed using the following chemometric and statistical techniques: principal compon

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

70 on, a combination of Raman spectroscopy with chemometrics and ANN methods can be applied for testing

71 empirical methods like calibration curves or chemometrics and the theoretical calibration-free LIBS m

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

73 ces were analysed using MIR spectroscopy and chemometrics, and calibration models developed.

74 ICs were identified readily using a standard chemometric approach (hierarchical clustering analysis),

75 An acceptable chemometric approach for sample matching was determined

76 A chemometric approach has been used to optimize the Agile

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

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

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

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

81 ndicate that MALDI-TOF-MS when combined with chemometric approaches would be a useful adjunct for rou

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

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

84 The data revealed a chemometric artifact when the spectra were represented i

85 the feasibility of using FT-IR coupled with chemometrics as a production-scale tool for authenticati

86 urrent method and added to the data sets for chemometric assessment with supervised tools.

87 A chemometrics-based data analysis concept has been develo

88 from interference spectra, and another using chemometrics by constructing a partial least-squares mod

89 low, it can be concluded that FTIR-ATR with chemometrics can be used for accurate quantitative deter

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

91 Methodologies for chemometric classification of five authentic red wine va

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

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

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

95 from their mass spectral fingerprints after chemometric data analysis.

96 ive ion mode, 140 of which were selected for chemometric data analysis.

97 Furthermore, chemometric data treatment using unsupervised analysis (

98 Chemometric discrimination of extra virgin olive oils (E

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

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

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

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

103 ng (1)H NMR spectroscopy data and systems of chemometric equations, we established the composition of

104 Chemometric evaluation showed close interdependence betw

105 romatography (RP-HPLC) and then subjected to chemometric evaluation.

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

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

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

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

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

111 -flight-mass spectrometry, UPLC-QTof-MS) and chemometrics for the analysis of post-mortem brain tissu

112 Chemometrics has the potential to embolden microfluidics

113 compound fingerprinting in combination with chemometrics have been applied to verify the geographica

114 cluster plot and readily deconvoluted using chemometrics (i.e., demonstrated using classical least-s

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

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

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

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

119 ordingly, the feasibility of using this as a chemometric indicator of irradiated mushrooms was evalua

120 ion methodology, it is imperative to develop chemometric indicators with the ability to distinguish i

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

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

123 e individual receptors to the kinases, while chemometrics is used to create a fingerprint for the kin

124 near-infrared spectroscopy (NIR) coupled to chemometrics is used to develop a fast, simple, non-dest

125 Results showed that (1)H NMR combined with chemometrics is useful to characterise the hazelnuts as

126 FAC (parallel factor analysis) is a powerful chemometric method that has been demonstrated as a usefu

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

128 5-1520 cm(-1)) spectral bands were used in a chemometric method.

129 Certainly, the combination of proper chemometric methodologies and instrumental data can be u

130 sent the feasibility of using analytical and chemometric methodologies to reveal and exploit the chem

131 The adopted chemometric methodologies were able to describe the diff

132 s and results were processed by multivariate chemometric methods (MANOVA, PCA, and SLDA).

133 overcome by coupling Raman spectroscopy with chemometric methods (principal component analysis (PCA)

134 lysed using Raman spectroscopy combined with chemometric methods (principal component analysis (PCA),

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

136 In conclusion, a combination of RS with chemometric methods can be applied to monitor multiple c

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

138 the utility of Raman spectroscopy (RS) with chemometric methods for quantification of multiple compo

139 and its current challenges, a perspective on chemometric methods including response surface methodolo

140 The classification by chemometric methods is in good agreement with the classi

141 The combination of these two chemometric methods leads to a comprehensive interpretat

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

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

144 illumination, digital signal processing and chemometric methods produce chemically relevant images a

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

146 All three chemometric methods result in similar classifications wi

147 Chemometric methods such as principal component analysis

148 By application of chemometric methods such as principal component analysis

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

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

151 FT-IR spectra were analyzed using chemometric methods to elucidate the chemical binding en

152 00 cm(-1)) of olive oils were analyzed using chemometric methods to identify the four main sensorial

153 ense, NIRS has been used in combination with chemometric methods to predict the geographic origin of

154 Specifically, we have applied and adapted chemometric methods to the analysis of maize seedling di

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

156 Chemometric methods were used both at experimental desig

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

158 Two types of chemometric methods, principal component analysis (PCA)

159 The results show that NIRS, together with chemometric methods, provides a rapid tool for the class

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

161 With the use of chemometric methods, UV-vis spectra can be analyzed to q

162 ed and nonglycated hemoglobin using standard chemometric methods.

163 terial cell injury could be quantified using chemometric methods.

164 neous spectrophotometric determination using chemometric methods.

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

166 reflectance (ATR) spectroscopy, coupled with chemometrics methods have been applied to the fast and n

167 Spectroscopic techniques combined with chemometrics methods have proven to be effective tools f

168 t impossible to accomplish by using ordinary chemometrics methods such as fast independent component

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

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

171 A N-PLS chemometric model is demonstrated as a potentially usefu

172 Using a chemometric model of chemical-morphological constituents

173 This confirms that the chemometric model properly describes the melissopalynolo

174 46 flavonoid reference standards and a novel chemometric model that uses stepwise strategy and projec

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

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

177 Using raw GC/MS data as the X-block for chemometric modeling has the potential to provide better

178 atty acid (FA) profiling in combination with chemometric modelling to verify claims for cow milk in t

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

180 The applied chemometric models allowed the tentative identification

181 nd associated sensory data is partitioned so chemometric models can be developed on training subsets,

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

183 en employed in combination with multivariate chemometric models to investigate a wide variety of dise

184 The chemometric models were constructed and validated using

185 Chemometric models were created for each dietary treatme

186 tate trehalose crystallization using several chemometric models.

187 mination by infrared spectroscopy coupled to chemometrics (NIR-MIR-SIMCA-PCA) and HPAEC-PAD of agave

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

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

190 In conclusion, if chemometric overfitting is avoided, chemical analysis ca

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

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

193 compound fingerprinting in conjunction with chemometrics (PLS-DA) as a new strategy for rapid and no

194 sating for the observed effect and restoring chemometric precision to the diffuse reflection data for

195 itative analysis of VOCs profile, coupled to chemometrics, present a good alternative to differentiat

196 Amongst all the classification chemometric procedures, SIMCA achieved to be the best PG

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

198 The chemometric processing of both, metal ions contents dete

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

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

201 forms of the carboxylic acid buffer, and the chemometric processing of the Raman spectral data with P

202 ly manages behavioral events, and integrates chemometric processing.

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

204 of the chromatographic signals is reduced by chemometric resolution of the pure constituents.

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

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

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

208 After chemometric sample extraction optimization, an aqueous d

209 According to chemometrics, samples processed at higher temperature ex

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

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

212 Moreover, chemometric strategies based on self-modeling curve reso

213 des insights and perspectives on recommended chemometric strategies to improve the qualitative and qu

214 A chemometric strategy based on combining an experimental

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

216 As the first step in chemometric study, display techniques such as principal

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

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

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

220 3D) data analysis is evaluated, based on the chemometric technique parallel factor analysis (PARAFAC)

221 e first successful application of a multiway chemometric technique to analyze multidimensional nanobi

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

223 inear data, we are able to use this powerful chemometric technique, which is better known for the ana

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

225 ssification, even when standard multivariate chemometric techniques are used for analysis.

226 Chemometric techniques as cluster analysis and ANOVA wer

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

228 TA were evaluated through the application of chemometric techniques based on partial least squares (P

229 or the determination of diverse analytes and chemometric techniques for multivariate data analysis.

230 pectroscopy of tissue biopsies combined with chemometric techniques has emerged as a valuable methodo

231 The chemometric techniques of cluster analysis (CA) and prin

232 assification (based on metal contents) using chemometric techniques such as PCA (Principal Component

233 Using chemometric techniques the optical signal is processed p

234 Galicia" was processed by means of different chemometric techniques to develop an authentication syst

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

236 Chemometric techniques were applied with the purpose of

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

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

239 Moreover, multivariate chemometric techniques, such as cluster analysis and pri

240 nufacturers were analyzed using multivariate chemometric techniques.

241 hical origins through the application of the chemometric techniques.

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

243 to assessing subtle features using advanced chemometrics, the limitations imposed by these effects i

244 The use of chemometrics to analyse Vis/NIRS signal collected from i

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

246 ness of NMR spectroscopy in combination with chemometrics to identify the possible bioactivity in the

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

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

249 the use of (1)H NMR technique combined with chemometrics to study the metabolic profile of cocoa (Th

250 Applying chemometrics to the NIRS and Raman spectral data, very g

251 By applying chemometrics to the spectral data, excellent calibration

252 Hence SMCR is a useful addition to the chemometric "toolbox" for metabolic analysis and should

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

254 of methyl esters of fatty acids, followed by chemometric tools (PCA, TFA, SIMCA and PLS).

255 ere analysed by GC-FID and processed through chemometric tools (PCA, TFA, SIMCA and PLS).

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

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

258 ice for 24h, by using (1)H NMR technique and chemometric tools for data mining.

259 nes according to the grape variety employing chemometric tools for pattern recognition.

260 paper deals with metabolomics combined with chemometric tools for screening the chemical and enzymat

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

262 tabolomic fingerprinting (HS-SPME-GC-MS) and chemometric tools has been implemented as an untargeted

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

264 rt demonstrates the use of bioinformatic and chemometric tools on liquid chromatography-mass spectrom

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

266 Chemometric tools such as principal component analysis,

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

268 face fluorescence spectroscopy coupled with chemometric tools was used as a useful tool for the moni

269 Chemometric tools were also applied to the global data s

270 Chemometric tools were used for experimental design and

271 Chemometric tools were used to classify the oil samples

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

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

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

275 f sterols and esterified sterols followed by chemometric tools.

276 ass spectrometry detection (GCxGC/TOFMS) and 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 0.368%, respectively, again depending on the chemometric treatment applied to the data and sample typ

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

283 The chemometric treatment of voltammetric data from differen

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

285 Chemometric treatments of A. senegal and A. seyal MIR sp

286 The discrimination power of the chemometric unsupervised methods for detection of paraff

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

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

289 Chemometrics was applied to qualitative and quantitative

290 NMR and chemometrics was applied to understand the variations in

291 As a conclusion, chemometrics was demonstrated to be very efficient for t

292 e using Raman spectroscopy, subsampling, and chemometrics was demonstrated using a piracetam-proline

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

294 electrochemical assay of plasma samples with chemometrics was proposed.

295 ge of Raman spectroscopy in combination with chemometrics, was developed for the rapid determination

296 mass spectrometry (GC/MS) fingerprinting and chemometrics were employed successfully for the quality

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

298 tral data can then be analyzed either with a chemometric workflow or by an initial deconvolution or f

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