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Chem."},{"issue":"14","key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"2232","DOI":"10.1021\/ac00086a006","volume":"66","author":"Yatsimirsky A. K.","year":"1994","journal-title":"Anal. Chem."},{"issue":"8","key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"1183","DOI":"10.1039\/AN9871201183","volume":"112","author":"Manes J.","year":"1987","journal-title":"Analyst"},{"issue":"1","key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1016\/0003-2670(92)85157-2","volume":"265","author":"Zamora L. L.","year":"1992","journal-title":"Anal. Chim. Acta"},{"issue":"6","key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"1171","DOI":"10.1016\/S0039-9140(00)00609-3","volume":"53","author":"Song Z.","year":"2001","journal-title":"Talanta"},{"issue":"5","key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"763","DOI":"10.1039\/a808892f","volume":"124","author":"Zheng X. 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