{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,4]],"date-time":"2026-10-04T05:59:30Z","timestamp":1791093570264,"version":"4.1.0"},"reference-count":43,"publisher":"Wiley","issue":"10","license":[{"start":{"date-parts":[[2014,4,1]],"date-time":"2014-04-01T00:00:00Z","timestamp":1396310400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Rapid Comm Mass Spectrometry"],"published-print":{"date-parts":[[2014,5,30]]},"abstract":"<jats:sec>\n                    <jats:title>RATIONALE<\/jats:title>\n                    <jats:p>\n                      Boscalid is a carboximide fungicide mainly used for vineyard protection as well as for tomato, apple, blueberry and various ornamental cultivations. The structural elucidation of by\u2010products arising from the UV\u2010visible photodegradation of boscalid has been investigated by gas chromatography\/multi\u2010stage mass spectrometry (GC\/MS\n                      <jats:sup>n<\/jats:sup>\n                      ) and liquid chromatography\/tandem mass spectrometry (LC\/MS\/MS) couplings. The potential toxicities of transformation products were estimated by\n                      <jats:italic>in silico<\/jats:italic>\n                      calculations.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>METHODS<\/jats:title>\n                    <jats:p>Aqueous solutions of boscalid were irradiated up to 150\u2009min in a self\u2010made reactor equipped with a mercury lamp. Analyses were carried out using a gas chromatograph coupled with an ion trap mass spectrometer operated in both electron ionization (EI) and chemical ionization (CI) modes and a liquid chromatograph coupled with a quadrupole time\u2010of\u2010flight (Q\u2010TOF) mass spectrometer operated in electrospray ionization (ESI) mode. Multiple\u2010stage collision\u2010induced dissociation (CID) experiments were performed to establish dissociation pathways of ions. The QSAR (Quantitative Structure\u2010Activity Relationship) T.E.S.T. program allowed the estimation of the toxicities of the by\u2010products.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>RESULTS<\/jats:title>\n                    <jats:p>\n                      Eight photoproducts were investigated. Chemical structures were proposed not only on the interpretation of multi\u2010stage CID experiments, but also on kinetics data. These structures led us to suggest photodegradation pathways. Three photoproducts were finally detected in Lebanon in a real sample of grape leaves for which routine analysis had led to the detection of boscalid at 4\u2009mg\u2009kg\n                      <jats:sup>\u22121<\/jats:sup>\n                      .\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>CONCLUSIONS<\/jats:title>\n                    <jats:p>\n                      With one exception, the structures proposed for the photoproducts on the basis of mass spectra interpretation have not been reported in previous studies.\n                      <jats:italic>In silico<\/jats:italic>\n                      toxicity predictions showed that two photoproducts are potentially more toxic than the parent compound considering oral rat LD50 while five photoproducts may induce mutagenic toxicity. With the exception of one compound, all photoproducts may potentially induce developmental toxicity. Copyright \u00a9 2014 John Wiley &amp; Sons, Ltd.\n                    <\/jats:p>\n                  <\/jats:sec>","DOI":"10.1002\/rcm.6880","type":"journal-article","created":{"date-parts":[[2014,4,1]],"date-time":"2014-04-01T22:12:39Z","timestamp":1396390359000},"page":"1153-1163","source":"Crossref","is-referenced-by-count":25,"title":["UV\u2010visible degradation of boscalid \u2013 structural characterization of photoproducts and potential toxicity using\n                    <i>in silico<\/i>\n                    tests"],"prefix":"10.1002","volume":"28","author":[{"given":"Yannick","family":"Lassalle","sequence":"first","affiliation":[{"name":"Laboratoire des M\u00e9canismes R\u00e9actionnels UMR\u20107651 \u00c9cole Polytechnique  91128 Palaiseau Cedex France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aziz","family":"Kinani","sequence":"additional","affiliation":[{"name":"Laboratoire des M\u00e9canismes R\u00e9actionnels UMR\u20107651 \u00c9cole Polytechnique  91128 Palaiseau Cedex France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahmad","family":"Rifai","sequence":"additional","affiliation":[{"name":"Laboratoire des M\u00e9canismes R\u00e9actionnels UMR\u20107651 \u00c9cole Polytechnique  91128 Palaiseau Cedex France"},{"name":"Laboratoire d'Analyse des Pesticides et des Polluants Organiques \u2010 Commission Libanaise de l'\u00c9nergie Atomique Centre National de Recherches Scientifiques  Beirut Lebanon"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yasmine","family":"Souissi","sequence":"additional","affiliation":[{"name":"Laboratoire des M\u00e9canismes R\u00e9actionnels UMR\u20107651 \u00c9cole Polytechnique  91128 Palaiseau Cedex France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Carine","family":"Clavaguera","sequence":"additional","affiliation":[{"name":"Laboratoire des M\u00e9canismes R\u00e9actionnels UMR\u20107651 \u00c9cole Polytechnique  91128 Palaiseau Cedex France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sophie","family":"Bourcier","sequence":"additional","affiliation":[{"name":"Laboratoire des M\u00e9canismes R\u00e9actionnels UMR\u20107651 \u00c9cole Polytechnique  91128 Palaiseau Cedex France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Farouk","family":"Jaber","sequence":"additional","affiliation":[{"name":"Laboratoire d'Analyse des Pesticides et des Polluants Organiques \u2010 Commission Libanaise de l'\u00c9nergie Atomique Centre National de Recherches Scientifiques  Beirut Lebanon"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"St\u00e9phane","family":"Bouchonnet","sequence":"additional","affiliation":[{"name":"Laboratoire des M\u00e9canismes R\u00e9actionnels UMR\u20107651 \u00c9cole Polytechnique  91128 Palaiseau Cedex France"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2014,4]]},"reference":[{"key":"e_1_2_5_2_1","unstructured":"WHO Public Health Impact of Pesticides Used in Agriculture Geneva 1990."},{"key":"e_1_2_5_3_1","unstructured":"European Commission Health and Consumer Protection General Directorate \u2013 Safety of the food chain. 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