Raman, Infrared, and Near-Infrared Chemical Imaging PDF
Preview Raman, Infrared, and Near-Infrared Chemical Imaging
RAMAN, INFRARED, AND NEAR-INFRARED CHEMICAL IMAGING RAMAN, INFRARED, AND NEAR-INFRARED CHEMICAL IMAGING Edited by SLOBODAN SˇASˇIC´ Pfizer Groton, Connecticut, USA YUKIHIRO OZAKI Kwansei GakuinUniversity Sanda,Japan Copyright(cid:1)2010byJohnWiley&Sons,Inc.Allrightsreserved PublishedbyJohnWiley&Sons,Inc.,Hoboken,NewJersey PublishedsimultaneouslyinCanada Nopartofthispublicationmaybereproduced,storedinaretrievalsystem,ortransmittedinanyformorby anymeans,electronic,mechanical,photocopying,recording,scanning,orotherwise,exceptaspermitted underSection107or108ofthe1976UnitedStatesCopyrightAct,withouteitherthepriorwritten permissionofthePublisher,orauthorizationthroughpaymentoftheappropriateper-copyfeetothe CopyrightClearanceCenter,Inc.,222RosewoodDrive,Danvers,MA01923,(978)750-8400,fax(978) 750-4470,oronthewebatwww.copyright.com.RequeststothePublisherforpermissionshouldbe addressedtothePermissionsDepartment,JohnWiley&Sons,Inc.,111RiverStreet,Hoboken,NJ07030, (201)748-6011,fax(201)748-6008,oronlineathttp://www.wiley.com/go/permission. 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Wileyalsopublishesitsbooksinavarietyofelectronicformats.Somecontentthatappearsinprintmaynotbe availableinelectronicformats.FormoreinformationaboutWileyproducts,visitourwebsiteat www.wiley.com. LibraryofCongressCataloging-in-PublicationData: Raman,infrared,andnear-infraredchemicalimaging/editedbySlobodan Sˇasˇi(cid:1)c,YukihiroOzaki. p.cm. Includesindex. ISBN978-0-470-38204-2(cloth) 1.Ramanspectroscopy.2.Infraredimaging.3.Imagingsystemsin chemistry.I.Sˇasˇi(cid:1)c,Slobodan.II.Ozaki,Y.(Yukihiro) QD96.R34R362011 5430.57–dc22 2010010781 PrintedintheUnitedStatesofAmerica 10 9 8 7 6 5 4 3 2 1 CONTENTS PREFACE vii CONTRIBUTORS ix 1. SpectroscopicTheoryfor Chemical Imaging 1 M.J.PelletierandC.C.Pelletier PART I HARDWARE 21 2. Raman Imaging Instrumentation 23 MatthewP.NelsonandPatrickJ.Treado 3. FT-IR Imaging Hardware 55 J.Sellors,R.A.Hoult,R.A.Crocombe,andN.A.Wright 4. Technologiesand PracticalConsiderations 75 for Implementing Near-Infrared Chemical Imaging E.NeilLewisandLindaH.Kidder 5. DataAnalysis and Chemometrics for 93 HyperspectralImaging PaulGeladi,HansGrahn,andMarenaManley PART II BIOMEDICAL APPLICATIONS 109 6. Biomedical Applications ofRaman Imaging 111 MichaelD.MorrisandGurjitS.Mandair 7. Skin Pharmacologyand Cosmetic Science Applications 133 of IR Spectroscopy, Microscopy,and Imaging RichardMendelsohn,CarolR.Flach,DavidJ.Moore,andLaurenceSenak v vi CONTENTS 8. Near-Infrared In Vivo Spectroscopic Imaging: 149 BiomedicalResearch and Clinical Applications R.AnthonyShaw,ValeryV.Kupriyanov,OlgaJilkina, andMichaelG.Sowa PART III PHARMACEUTICAL APPLICATIONS 167 9. Pharmaceutical Applications ofRaman Chemical Imaging 169 SlobodanSˇasˇic´ andLinZhang 10. Applicationsof FTIR Spectroscopic Imaging in 185 Pharmaceutical Science SergeiG.KazarianandPatrickS.Wray 11. NIR ImagingApplicationsin the Pharmaceutical Industry 205 AdGerich,JanieDubois,andLindaH.Kidder PART IV APPLICATIONS IN FOODRESEARCH 227 12. Raman and InfraredImagingof Foods 229 NilsKristianAfsethandUlrikeBo¨ker 13. Near-Infrared Hyperspectral Imagingin Food Research 243 PaulGeladiandMarenaManley PART V APPLICATIONS IN POLYMER RESEARCH 261 14. Vibrational Spectroscopy ImaginginPolymers 263 HarumiSato,YukihiroOzaki,JianhuiJiang,Ru-QinYu, andHideyukiShinzawa PART VI SPECIAL METHODS 283 15. Surface-Enhanced Raman Scattering Imaging: 285 Application and Experimental Approach by Far-Field with Conventional Setup YasutakaKitahama,MohammadKamalHossain,YukihiroOzaki,TamitakeItoh, AthiyanathilSujith,andXiaoxiaHan 16. Linear and Nonlinear Raman Microspectroscopy: 301 From a Moleculeto Single Living Cells HideakiKano,Yu-SanHuang,YasuakiNaito,RintaroShimada, andHiro-oHamaguchi Index 313 PREFACE Vibrationalspectroscopy-basedchemicalimagingisacom- exaggerationtosaythatatpresentitistheapplicationsthat paratively new imaging approach that has become truly aresomewhatbehindwhattechnicallycanbeobtainedfrom operational inthepast10years.Itappliestosamplesmore theavailableinstruments.Inthisbook,particularattentionis frequently met in academic rather than industrial laborato- paid tohardware. ries,anditisusedforexplorationratherthanroutineanalysis. The same holds for software. There are a couple of However, it is steadily improving, gaining recognition in commercial software to chose from, and users quite fre- various industries, and finding use for solving a variety of quently individually employ programming languages (with real-world problems. The key points of chemical imaging Matlab being unquestionably predominant) to tackle these basedonRaman,infrared,ornear-infraredresponse/spectra complex3D(or4D)datasetsviaroutinesthatdonotreally are chemical specificity and richness of information that involvemuchmorethanskillfullycombiningexistingalgo- stemsfromthecollectionoffull-rangespectra.Suchwealth rithms.Here,itisnotsomuchaboutimprovingthecompu- of data is usually best handled by the linear algebra-based tational approaches as many of them have been used quite algorithms that have once been considered fairly advanced broadly for diverse problems, but rather finding suitable but today are much more of a commonplace among this applicationsinthisimagingfieldtodemonstratetheability chemicalimagingcommunity.Applicationsoflinearalgebra to extract reliable information buried somewhere among (knownaschemometricsinthisfield)arepossibleduetothe thousands ofspectra with hundredsof data points. assumedlinearityoftheresponsesfromtheimagedsample. Thisbooktriestoportrayallfacetsofchemicalimaging Thus, quite often, a chemical imaging application (in this viavibrationalspectra.Itstartswithintroducingvibrational context)isaniceexampleofusefulnessofchemometricsfor spectroscopy, addresses hardware in more and software in extractingtheinformationthatwouldnormallybeunattain- less details (due to frequent references to computational ableorambiguousbysimplyfollowingresponseatawave- details in the applications), and then methodically lists numberthatisconsideredindicativeofasoughtcomponent applications in several fields of which the biomedical and (which,infact,isthemostcommonlyfollowedapproachin pharmaceutical ones probably dominate as for the number the broadly popular imaging techniques). Many cases de- andimpactofthepublications,followedbynolesspromising picted in this book necessitate chemometrics for obtaining and important food and polymers. A glimpse into future is meaningful images. also taken by listing several cutting-edge experimental en- Hardware is another key element in the development of deavors.Eachofthechaptersinthebookaimsatcoveringall chemicalimaging.Theimprovementincombiningspectro- thethreevibrationalspectroscopymechanisms(Raman,IR, meterswithmicroscopes(whichroughlystandsforachem- andNIR)withRamanbeinggivensomemoreattentioninthe icalimaginginstrument)hasbeentremendousinrecenttimes closing chapters. While, in essence, producing a chemical and certainly hugely contributed to this type of chemical imagemaynotbeatoughtaskandcanbedoneeasilyinsome imaging to become more widely used. It may not be an cases, it takes an expert with substantial knowledge of vii viii PREFACE spectroscopy and chemometrics to single-handedly tackle hope that the joint effort presented in this book is an demanding cases and unravel useful information from the influentialsourceofinformationonwhatchemicalimaging labyrinth of data intrinsic to such experiments. The editors is,howandwhatfortouseit,andwheretolookforadditional believe that the authors of this book are such individuals, information.Wehopereaderswillenjoyreadingitasmuchas world-classscientists,andauthoritiesinrespectivefields.We the authors enjoyed writing. February2010 SLOBODANSˇASˇIC´ ANDYUKIHIROOZAKI CONTRIBUTORS Nils Kristian Afseth, NofimaMat As, A˚s, Norway Jianhui Jiang, State Key Laboratory of Chemo/Biosen- sing and Chemometrics, Hunan University, Changsha, Ulrike Bo¨cker, NofimaMat As, A˚s, Norway China R.A.Crocombe, ThermoFischerScientific,Billerica,MA, Olga Jilkina, Institute for Biodiagnostics, National Re- USA searchCouncilofCanada,Winnipeg,Manitoba,Canada JanieDubois, MalvernInstruments,Columbia,MD,USA Hideaki Kano, Department of Chemistry, School of Sci- Carol R. Flach, Department of Chemistry, Newark Col- ence, The University of Tokyo, Tokyo, Japan; PRESTO lege,Rutgers University,Newark, NJ, USA (Precursory Research for Embryonic Science and Tech- nology),JapanScienceandTechnologyAgency,Saitama, PaulGeladi, UnitofBiomassTechnologyandChemistry, Japan Swedish University of Agricultural Sciences, Umea˚, Sweden YasutakaKitahama, DepartmentofChemistry,Schoolof Science and Technology, Kwansei Gakuin University, Ad Gerich, Schering Plough, Oss, The Netherlands Sanda, Japan Hans Grahn, Department of Neuroscience, Division of SergeiG.Kazarian, DepartmentofChemicalEngineering, Behavioral Neuroscience, Karolinska Institute, Stock- Imperial CollegeLondon,London,UK holm, Sweden Linda H. Kidder, Malvern Instruments, Columbia, MD, Hiro-o Hamaguchi, Department of Chemistry, School of USA Science, TheUniversity ofTokyo,Tokyo,Japan Valery V. Kupriyanov, Institute for Biodiagnostics, Na- Xiaoxia Han, State Key Laboratory of Supramolecular tionalResearchCouncilofCanada,Winnipeg,Manitoba, Structure and Materials, Jilin University, Changchun, Canada China E.NeilLewis, MalvernInstruments,Columbia,MD,USA Mohammad Kamal Hossain, Department of Chemistry, School of Science and Technology, Kwansei Gakuin GurjitS.Mandair, DepartmentofChemistry,University University, Sanda, Japan ofMichigan, Ann Arbor, MI, USA R. A.Hoult, PerkinElmer, Buckinghamshire, UK Marena Manley, Department of Food Science, Stellen- bosch University, Stellenbosch, South Africa Yu-SanHuang, DepartmentofChemistry,SchoolofSci- ence, The Universityof Tokyo,Tokyo,Japan RichardMendelsohn, DepartmentofChemistry,Newark College,Rutgers UniversityNewark,NJ, USA Tamitake Itoh, National Institute of Advanced Industrial Science and Technology,Takamatsu, Kagawa, Japan David J. Moore, ISP Corporation, Wayne, NJ, USA ix x CONTRIBUTORS MichaelD.Morris, DepartmentofChemistry,University Rintaro Shimada, Department of Chemistry, School of ofMichigan,Ann Arbor, MI, USA Science, The Universityof Tokyo,Tokyo,Japan YasuakiNaito, DepartmentofChemistry,GakushuinUni- HideyukiShinzawa, ResearchInstituteofInstrumentation versity, Tokyo,Japan Frontier, Advanced Industrial Science and Technology (AIST), Chubu,Nagoya,Japan MatthewP.Nelson, ChemImageCorporation,Pittsburgh, PA,USA Michael G. Sowa, Institute for Biodiagnostics, National Research Council of Canada, Winnipeg, Manitoba, Yukihiro Ozaki, Department of Chemistry, School of Canada Science and Technology, Kwansei Gakuin University, Sanda, Japan Athiyanathil Sujith, National Institute of Technology Calicut,Calicut, Kerala, India C. C. Pelletier, NASA-Jet Propulsion Laboratory, Gales Ferry,CT,USA Patrick J. Treado, ChemImage Corporation, Pittsburgh, PA, USA M.J. Pelletier, Pfizer, Groton, CT, USA Slobodan Sˇasˇic´, Analytical Development, Pfizer, Groton, Patrick S. Wray, Department of Chemical Engineering, Imperial CollegeLondon,London, UK CT, USA N.A.Wright, AppliedInstrumentTechnologies,Hamilton HarumiSato, DepartmentofChemistry,SchoolofScience Sundstrand, Pomona,CA, USA and Technology, Kwansei Gakuin University, Sanda, Japan Ru-Qin Yu, State Key Laboratory of Chemo/Biosensing andChemometrics, Hunan University, Changsha, China J.Sellors, PerkinElmer, Buckinghamshire, UK Lin Zhang, Analytical Development, Pfizer, Groton, CT, Laurence Senak, ISP Corporation, Wayne, NJ, USA USA R. Anthony Shaw, Institute for Biodiagnostics, National Research Council of Canada, Winnipeg, Manitoba, Canada FIGURE 4.2 Presents an image and corresponding histogram derivedfromaNIRCIdatasetofapharmaceuticaltabletcomprised of(cid:1)22,400NIRspectra.(Seetextforfullcaption.) FIGURE 6.6 Factor analysis of a confocal Raman data set delineatesskinregionsnearawoundedge0.5daysafterwounding. FIGURE4.7 Chemicalimageofathree-componentmixture:(a), (Seetextforfullcaption.) (b),and(c)aretheareasholdingthepurecomponentsand(d)isthe areacomprisingthemixture.(Seetextforfullcaption.) FIGURE6.10 Ramantomographicimagesofcaninebonetissue. FIGURE 6.1 Raman imaging of a meningioma tumor section. (Seetextforfullcaption.) (Seetextforfullcaption.) FIGURE 6.4 FTIR microscopic image (a), photomi- crograph (b), and Raman microscopic image (c) of ganglia.(Seetextforfullcaption.)
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