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We here describe chemical and physical properties of Cl<jats:sub>2<\/jats:sub> that are relevant to its chemical reactivity with biological molecules, including water-soluble small-molecular-weight antioxidants, amino acid residues in proteins, and amino-phospholipids such as phosphatidylethanolamine and phosphatidylserine that are present in the lining fluid layers covering the airways and alveolar spaces. We further conduct a Cl<jats:sub>2<\/jats:sub> penetration analysis to assess how far Cl<jats:sub>2<\/jats:sub> can penetrate the surface of the lung before it reacts with water or biological substrate molecules. Our results strongly suggest that Cl<jats:sub>2<\/jats:sub> will predominantly react directly with biological molecules in the lung epithelial lining fluid, such as low-molecular-weight antioxidants, and that the hydrolysis of Cl<jats:sub>2<\/jats:sub> to HOCl (and HCl) can be important only when these biological molecules have been depleted by direct chemical reaction with Cl<jats:sub>2<\/jats:sub>. The results from this theoretical analysis are then used for the assessment of the potential benefits of adjuvant antioxidant therapy in the mitigation of lung injury due to inhalation of Cl<jats:sub>2<\/jats:sub> and are compared with recent experimental results. <\/jats:p>","DOI":"10.1152\/ajplung.00077.2010","type":"journal-article","created":{"date-parts":[[2010,6,5]],"date-time":"2010-06-05T02:30:23Z","timestamp":1275705023000},"page":"L289-L300","source":"Crossref","is-referenced-by-count":93,"title":["Elucidating mechanisms of chlorine toxicity: reaction kinetics, thermodynamics, and physiological implications"],"prefix":"10.1152","volume":"299","author":[{"given":"Giuseppe L.","family":"Squadrito","sequence":"first","affiliation":[{"name":"Department of Environmental Health Sciences, School of Public Health,"},{"name":"The Centers for Free Radical Biology and Pulmonary Injury and Repair, and"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Edward M.","family":"Postlethwait","sequence":"additional","affiliation":[{"name":"Department of Environmental Health Sciences, School of Public Health,"},{"name":"The Centers for Free Radical Biology and Pulmonary Injury and Repair, and"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sadis","family":"Matalon","sequence":"additional","affiliation":[{"name":"The Centers for Free Radical Biology and Pulmonary Injury and Repair, and"},{"name":"Department of Anesthesiology, School of Medicine, University of Alabama at Birmingham, Birmingham, Alabama"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"24","reference":[{"key":"B1","volume-title":"Draft Toxicological Profile for Chlorine","author":"Agency For Toxic Substances and Disease Registry","year":"2007"},{"key":"B2","doi-asserted-by":"publisher","DOI":"10.1021\/ie940778r"},{"key":"B3","doi-asserted-by":"publisher","DOI":"10.1016\/S0040-4020(99)01066-2"},{"key":"B4","doi-asserted-by":"publisher","DOI":"10.1111\/j.1476-5381.1986.tb11146.x"},{"key":"B5","doi-asserted-by":"publisher","DOI":"10.1177\/0885066608318471"},{"key":"B6","doi-asserted-by":"publisher","DOI":"10.1016\/j.freeradbiomed.2004.11.009"},{"key":"B7","doi-asserted-by":"publisher","DOI":"10.1080\/00039896.1977.10667258"},{"key":"B8","doi-asserted-by":"publisher","DOI":"10.1016\/0041-008X(79)90279-5"},{"key":"B9","doi-asserted-by":"publisher","DOI":"10.1152\/jappl.1995.79.5.1615"},{"key":"B10","first-page":"52","volume":"104","author":"Becker M","year":"2008","journal-title":"Tex Med"},{"key":"B11","doi-asserted-by":"publisher","DOI":"10.1029\/96JD03057"},{"key":"B12","doi-asserted-by":"publisher","DOI":"10.1378\/chest.132.4_MeetingAbstracts.566"},{"key":"B13","doi-asserted-by":"publisher","DOI":"10.1165\/ajrcmb.17.1.2594"},{"key":"B14","doi-asserted-by":"publisher","DOI":"10.1016\/j.expthermflusci.2003.03.001"},{"key":"B15","doi-asserted-by":"publisher","DOI":"10.1164\/rccm.200509-1392OC"},{"key":"B16","doi-asserted-by":"publisher","DOI":"10.1097\/00043764-200102000-00008"},{"key":"B17","doi-asserted-by":"publisher","DOI":"10.1080\/15563650802559632"},{"key":"B18","doi-asserted-by":"publisher","DOI":"10.1039\/b713778h"},{"key":"B19","doi-asserted-by":"publisher","DOI":"10.1006\/taap.2001.9182"},{"key":"B20","doi-asserted-by":"publisher","DOI":"10.1016\/j.freeradbiomed.2006.09.022"},{"key":"B21","doi-asserted-by":"publisher","DOI":"10.1042\/bj3460491"},{"key":"B22","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M702865200"},{"key":"B23","volume-title":"Aromatic Substitution. 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