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K 0 =K $ R # R $ $ R @ $ " " $ " " " " " J J $ " " " =K " " " " R " " " " " " " " " b : Table 1. Raman spectral data standardization processing algorithmSpectral placeholderPretreatment planApplication algorithm(A)Original spectrums of BCC--(B)Remove cosmic raysNorris differential Derivation(C)Normalizedmin-max standardization(D)Smoothing filterSavitzky-Golay convolutional smoothing(E)Baseline correctionair-PLS(F)Batch processing--
Table 2. Analytes informationAnalytesCASMolecularformulaMolecularweightChargedpropertiesMS1MS2Phenylalanine63-91-2C9H11N O 2 1 6 5 . 1 9 b 1 6 6 . 0 8 6 1 2 0 . 0 8 1 T r y p t o p h a n 7 3 - 2 2 - 3 C 1 1 H 1 2 N 2 O 2 2 0 4 . 2 3 b 2 0 5 . 0 9 7 1 4 6 . 0 6 0
T a b l e 3 . c h r o m a t o g r a p h i c g r a d i e n t s T i m e m i n W a t e r r a t i o % O r g a n i c p r o p o r t i o n % 0 . 0 0 9 9 . 0 1 . 0 0 1 . 2 0 9 9 . 0 1 . 0 0 1 . 8 0 9 0 . 0 1 0 . 0 3 . 0 0 9 0 . 0 1 0 . 0 4 . 0 0 1 0 . 0 9 0 . 0 5 .0010.090.05.2099.01.008.0099.01.00
Table 4. Main different peaks and composition information in five different lesionsRaman Peak/cm-1Raman Band InformationFunction720C-N vibration of nucleic acids ADDIN EN.CITE Puppels1990101[31]10110117Puppels, GJde Mul, FFOtto, CGreve, JRobert-Nicoud, MArndt-Jovin, DJJovin, TMStudying single living cells and chromosomes by confocal Raman microspectroscopyNatureNature301-334762901990220580510.1038/347301a0[31] HYPERLINK "file:///D:\\Program%20Files%20(x86)\\Youdao\\Dict\\8.9.3.0\\resultui\\html\\index.html" \l "/javascript:;" genetic HYPERLINK "file:///D:\\Program%20Files%20(x86)\\Youdao\\Dict\\8.9.3.0\\resultui\\html\\index.html" \l "/javascript:;" material ADDIN EN.CITE Naber199461[32]616117Naber, Stephen PMolecular pathology--detection of neoplasiaNew England Journal of MedicineNew England Journal of Medicine1508-15103312219940028-4793[32]752Symmetric breathing of tryptophan ADDIN EN.CITE ADDIN EN.CITE.DATA [33] HYPERLINK "file:///D:\\Program%20Files%20(x86)\\Youdao\\Dict\\8.9.3.0\\resultui\\html\\index.html" \l "/javascript:;" immunoregulation ADDIN EN.CITE ADDIN EN.CITE.DATA [36, 37], tryptophan catabolism ADDIN EN.CITE ADDIN EN.CITE.DATA [38]853(C-C) collagen proline ring ADDIN EN.CITE Chen1976105[35]10510517Chen, MCLord, RCLaser-excited Raman spectroscopy of biomolecules. VIII. Conformational study of bovine serum albuminJournal of the American Chemical SocietyJournal of the American Chemical Society990-29841976124571010.1021/ja00420a021[35]collagen, proline regulatory axis ADDIN EN.CITE ADDIN EN.CITE.DATA [39-41]1002(C-C) aromatic symmetric ring breathing of phenylalanine ADDIN EN.CITE ADDIN EN.CITE.DATA [33, 34]cell cycle progression ADDIN EN.CITE ADDIN EN.CITE.DATA [42]; tumor cell adhesion, spread ADDIN EN.CITE Fu200759[43, 44]595917Fu, Ya-MinMeadows, Gary GSpecific amino acid dependency regulates the cellular behavior of melanomaThe Journal of nutritionThe Journal of nutrition1591S-1596S137620070022-3166Fu200575757517Fu, Ya-MinZhang, HuiDing, MingjieLi, Yi-QiFu, XingYu, Zu-XiMeadows, Gary GSpecific amino acid restriction inhibits attachment and spreading of human melanoma via modulation of the integrin/focal adhesion kinase pathway and actin cytoskeleton remodelingClinical & experimental metastasisClinical & experimental metastasis587-59821720050262-0898[43, 44] and apoptosis ADDIN EN.CITE Fu199976[43, 45]767617Fu, Ya-MinYu, Zu-XiPelayo, Bertha AFerrans, Victor JMeadows, Gary GFocal adhesion kinase-dependent apoptosis of melanoma induced by tyrosine and phenylalanine deficiencyCancer researchCancer research758-76559319990008-5472Fu200759595917Fu, Ya-MinMeadows, Gary GSpecific amino acid dependency regulates the cellular behavior of melanomaThe Journal of nutritionThe Journal of nutrition1591S-1596S137620070022-3166[43, 45]
Table 5. Phenylalanine contents of 3 skin lesions (LC-MS)SampleExp Amt. (ng/ml)Peak area (Y)EquationCul Amt. (X, ng/ml)Standard2000.00085100135.34 Y = -1.49012e-008 + 42550.1*X, R^2 =1.00002000.000SCC--3785419483.4188963.889SK--713829414.9416776.223MN--419087982.649849.291Note: Exp Amt., expected amount; Cul Amt., calculated amount.
Table 6. Tryptophan contents in of 3 skin lesions (LC-MS)SampleExp Amt. (ng/ml)Peak area (Y)EquationCul Amt. (X, ng/ml)Standard2000.00016085283.92Y = 8042.64*X
R^2 = 1.0000
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