1068 Vol LTQ-XL Xcalibur2 0 Finnigan SDAPCI mm 50 mm ~ m /z 50 ~ kv Da 25% ~ 35% 50

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1 Vol 36 No CHEMICAL JOURNAL OF CHINESE UNIVERSITIES 1067 ~ 1073 doi /cjcu nano-sdapci-ms PCA PCA O657 A 1 ~ LA-ICP- 9 MS 10 Micro-FTIR 11 X SDAPCI 15 ~ 18 SDAPCI 19 ~ 24 Yang 20 SDAPCI-MS 21 SDAPCI-MS Zhu 22 SDAPCI-MS nano-sdapci-ms 24 nano-sdapci-ms PCA YQ NCET wxipysp@ 163 com

2 1068 Vol LTQ-XL Xcalibur2 0 Finnigan SDAPCI mm 50 mm ~ m /z 50 ~ kv Da 25% ~ 35% 50 ms LTQ-MS nano-sdapci 1 d 10 mm α 30 β Excel m /z 50 ~ 800 MS 1 Fig 1 Schematic drawing of nano-sdapci-ms Matlab PCA nano-sdapci-ms Margolis 26 nano-sdapci-ms m /z 89 2 A Fig 2 SDAPCI-MS spectra of a cavity sample A and standard lactic acid B in negative ion detection mode Insets are MS /MS spectra of the peak at m /z 89 lactic acid

3 No A m /z 89 CID m /z 43 m /z 59 m /z 89 α m /z 43 CH 3 C O m /z 59 CH 3 COO nano-sdapci-ms MS /MS 2 B m /z 89 CE 10% m /z % m /z 59 8% 2 A nano-sdapci-ms nano-sdapci-ms C 3 H 6 O 3 lactic acid 46 m /z 43 nano-sdapci-ms kv d 10 mm α kv d = 10 mm α = 30 Fig 3 Optimization of nano-sdapci-ms working conditions on the SDAPCI signal levels A Ionization voltage B distance C angle nano-sdapci-ms m /z 87 m /z 135 m /z 73 4 A 4 B m /z 87 m /z 43 m /z 59 m /z 87 CID CO 2 CO Fig 4 nano-sdapci-ms A and MS /MS B D spectra for cavity samples in negative ion detection mode B D MS /MS spectra of m /z and 73 respectively

4 1070 Vol 36 m /z 87 CH 3 COCOOH - H HILIC-MS /MS 29 ~ 31 4 C m /z 135 C 8 H 8 O 2 - H - 4 D m /z 73 CH 3 CH 2 COOH - H nano-sdapci-ms nano-sdapci-ms 5 Fig 5 SDAPCI-MS spectra of an acupuncture needle for a blank sample A edge of cavity B tooth cusp C and tooth sulcus D from one tooth in negative ion detection mode 5 A m /z H 2 O N 2 8 SDAPCI-MS 4 A m /z B ~ D m /z B ~ D m /z 89 m /z 87 4 A SDAPCI-MS 20 nano-sdapci-ms CID 2 3 PCA 32 4

5 No SDAPCI-MS m /z Matlab m /z 50 ~ 800 SDAPCI-MS PCA 6 PC1 PC2 PC3 46 2% 19 4% 13 7% 79 3% PCA Fig 6 3D plots of PCA score results for cavity edge of 6 PCA cavity tooth cusp and tooth sulcus on the same 2 2 tooth in negative ion detection mode PCA PCA m /z 50 ~ 800 SDAPCI-MS Matlab PCA 7 RSD 7 8% n = 12 Fig 7 PCA results of dental disease in different degrees using SDAPCI-MS data in negative ion detection mode A 3D plots of PCA of caries-free shallow caries medium caries and deep caries B 3D plots of PCA of healthy tooth gingivitis and periodontitis 3 nano-sdapci-ms m /z 50 ~ 800 PCA

6 1072 Vol 36 1 Hertz-Schünemann R Streibel T Ehlert S Zimmermann R Anal Bioanal Chem Xu Q Wang M Yu S Q Tao Q Tang M Analyst Wurz P Abplanalp D Tulej M Iakovleva M Fernandes V Chumikov A Managadze G Solar Syst Res Wang Q G Li D Lu N Tong D Y Zhuang H J Li F Q Wang L Duan H F Lin Y J Chem J Chinese Universities Xiu Y Zhou Y Gao Q Chen J S Li G D Chem Res Chinese Universities Arrowsmith P Anal Chem Abdullah M M Ly A R Goldberg W A Clarke-Stewart K A Dudgeon J V Mull C G Chan T J Kent E E Mason A Z Ericson J E J Autism Dev Disord Huth K C Lussi A Gygax M Thum M Crispin A Paschos E Hickel R Neuhaus K W J Dent Liu M W He Y Adv Earth Sci Zhang D Feng L X Wang J Shen D R Xiong J P Chem J Chinese Universities Liu Y Yang Z W Desyaterik Y Gassman P L Wang H Laskin A Anal Chem Dierolf M Menzel A Thibault P Schneider P Kewish C M Wepf R Bunk O Pfeiffer F Nature Wang J Z Lu L Choucair M Stride J A Xu X Liu H K J Power Sources Ma G B Yang P Chemistry Chen H W Lai J H Zhou Y F Xun Y F Li J Q Zhang X Wang Z C Luo M B Chinese J Anal Chem Weston D J Analyst Kavvalakis M P Tzatzarakis M N Theodoropoulou E P Barbounis E G Tsakalof A K Tsatsakis A M Chemosphere Takats Z Wiseman J M Gologan B Cooks R G Science Zhang X L Jia B Huang K K Hu B Chen R Chen H W Anal Chem Yang S P Ding J H Zheng J Hu B Li J Q Chen H W Zhou Z Q Qiao X L Anal Chem Li J Q Jia B Hu B Chen H W Zeng X T Xiao R H Chinese J Anal Chem Zhu L Yan J P Zhu Z Q Ouyang Y Z Zhang X L Zhang W J Dai X M Luo L P Chen H W J Agric Food Chem Luo L P Wang J Zhang W J Dai X M Fang X W Zhang X Liu Y L Chen H W Chinese J Anal Chem Wang J Yang S P Yan F Y Liu Y Li M Song Y H Zhan Y B Chen H W Chinese J Anal Chem Wold S Esbensen K Geladi P Chemometr Intell Lab Margolis H C Moreno E C Crit Rev Oral Biol Med Ross K L Tu T T Smith S Dalluge J J Anal Chem Selwitz R H Ismail A I Pitts N B The Lancet Bandu M L Watkins K R Bretthauer M L Moore C A Desaire H Anal Chem Marahatta A Bhandary B Lee M Kim D S Lee Y C Kim S R Kim H R Chae H J J Chrom B Donald L P Garry M L George S K WB Saunder s College Publishers Li M Jia B Ding L Y Hong F Ouyang Y Z Chen R Zhou S M Chen H W Fang X J Mass Spectrom

No 6 1073 Direct Analysis of Micro Area on Tooth Surface by Surface Desorption Atmospheric Pressure Chemical Ionization Mass Spectrometry WANG Jiang LI Qian GU Haiwei GUO Xiaotun YANG Shuiping * WANG

7 No Direct Analysis of Micro Area on Tooth Surface by Surface Desorption Atmospheric Pressure Chemical Ionization Mass Spectrometry WANG Jiang LI Qian GU Haiwei GUO Xiaotun YANG Shuiping * WANG Zhihao Jiangxi Key Laboratory for Mass Spectrometry and Instrumentation East China Institute of Technology Nanchang China Abstract A novel analytical platform based on a nanoliter needle for sampling and surface desorption atmospheric pressure chemistry ionization mass spectrometry SDAPCI-MS for analysis was developed for the direct fast and micro-area analysis of different parts of a human tooth including cavity cavity edge tooth cusp and tooth sulcus The results showed that the mass spectra from the four sampling spots on the same tooth were different and that SDAPCI-MS detected lactic acid pyruvic acid phenylacetic acid and propanoic acid were confirmed using tandem mass spectrometry MS /MS Principal component analysis PCA of the mass spectral data successfully differentiated the different sampling spots levels of tooth decay and levels of gum disease Therefore our nano-sdapci-ms approach provides a promising way for micro-area analysis with fast minimal pretreatment sampling enabling rapid simple and reliable surface MS investigation Keywords Micro-analysis Surface desorption atmospheric pressure chemistry ionization Mass spectrometry Tooth disease Ed N K Supported by the National Natural Science Foundation of China Nos the National Key Scientific Instrument and Equipment Development Project of China No 2011YQ and the Program for New Century Excellent Talents in University of China No NCET Chemical Research in Chinese Universities Chemical Research in Chinese Universities CRCU 1984 SCI CRCU CRCU CRCU Springer Springer SpringerLink CRCU 90 / 540 / ISSN CN /O cjcu@ jlu edu cn http / /www cjcu jlu edu cn

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<D2BDC1C6BDA1BFB5CDB6C8DAD7CAB8DFB7E5C2DBCCB3B2CEBBE1C3FBB5A52E786C7378> 参会人员名单 Last Name 姓名公司 Tel Fax Bai 柏煜康复之家 8610 8761 4189 8610 8761 4189 Bai 白威久禧道和股权投资管理 ( 天津 ) 有限公司 8610 6506 7108 8610 6506 7108 Bao 包景明通用技术集团投资管理有限公司 8610