Pub Date : 2000-12-01DOI: 10.1051/ANALUSIS:2000280906
G. Hopfgartner, F. Vilbois
Atmospheric pressure ionisation quadrupole/ time-of-flight mass spectrometry was used to perform accurate mass measurements on the product ion fragments of moclobemide and remikiren. The low energy collision induced dissociation fragmentation pathways of the two compounds could be established using accurate mass, MSn data and MS interpretation software (Mass Frontier). An atypical fragmentation corresponding to the loss of neutral dimethylvinyl could be clearly identified. The knowledge gained from these experiments was used to demonstrate the application of data dependent experiments on a triple quadrupole instrument for the screening of metabolites. Data dependent experiments were performed using either Q3 single scan or precursor ion scan mode as the survey scan, and product ion scan as the dependent scan.
{"title":"The impact of accurate mass measurements using quadrupole/time-of-flight mass spectrometry on the characterisation and screening","authors":"G. Hopfgartner, F. Vilbois","doi":"10.1051/ANALUSIS:2000280906","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000280906","url":null,"abstract":"Atmospheric pressure ionisation quadrupole/ time-of-flight mass spectrometry was used to perform accurate mass measurements on the product ion fragments of moclobemide and remikiren. The low energy collision induced dissociation fragmentation pathways of the two compounds could be established using accurate mass, MSn data and MS interpretation software (Mass Frontier). An atypical fragmentation corresponding to the loss of neutral dimethylvinyl could be clearly identified. The knowledge gained from these experiments was used to demonstrate the application of data dependent experiments on a triple quadrupole instrument for the screening of metabolites. Data dependent experiments were performed using either Q3 single scan or precursor ion scan mode as the survey scan, and product ion scan as the dependent scan.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"104 1","pages":"906-914"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78026180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2000-12-01DOI: 10.1051/ANALUSIS:2000280921
M. Honing, E. V. Bockxmeer, D. Beekman
adducts could well be explained with the dissociation energies (DE) of the complexes [14]. The DE is related to the proton affinity (PA) of the constituent base by DE = a-b ΔPA where a and b are constants and ΔPA is the absolute PA difference [10]. Therefore it can be argued that the DE hypothesis used for the thermospray data can also be used for the explanation of the adduct formation in APCI. As the PA, and consequently the DE, of a molecule is dependent on its structure, the tendency of a molecule to form adduct ions can be used for structural identification purposes. A major problem with this theory is the presence of the collisionally induced dissociation processes occurring in the sampling region of the atmospheric pressure source (somewhat like the effect of the repeller in the thermospray interface) which are, ironically enough, meant to de-cluster the adduct ions. The following, limited study, discusses the data from the acetate adduct ions with steroid molecules (see Fig. 1 for a general structure and the numbering of the C atoms) in the negative ion mode. Abundant adduct ions for these type of molecules have been reported both with the thermospray [7] as with the HN [8,9] interface. These types of compounds are chosen because the MSMS data are considered hard to interpret [15]. That is hydrogen transfer
{"title":"Adduct formation of steroids in APCI and its relation to structure identification","authors":"M. Honing, E. V. Bockxmeer, D. Beekman","doi":"10.1051/ANALUSIS:2000280921","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000280921","url":null,"abstract":"adducts could well be explained with the dissociation energies (DE) of the complexes [14]. The DE is related to the proton affinity (PA) of the constituent base by DE = a-b ΔPA where a and b are constants and ΔPA is the absolute PA difference [10]. Therefore it can be argued that the DE hypothesis used for the thermospray data can also be used for the explanation of the adduct formation in APCI. As the PA, and consequently the DE, of a molecule is dependent on its structure, the tendency of a molecule to form adduct ions can be used for structural identification purposes. A major problem with this theory is the presence of the collisionally induced dissociation processes occurring in the sampling region of the atmospheric pressure source (somewhat like the effect of the repeller in the thermospray interface) which are, ironically enough, meant to de-cluster the adduct ions. The following, limited study, discusses the data from the acetate adduct ions with steroid molecules (see Fig. 1 for a general structure and the numbering of the C atoms) in the negative ion mode. Abundant adduct ions for these type of molecules have been reported both with the thermospray [7] as with the HN [8,9] interface. These types of compounds are chosen because the MSMS data are considered hard to interpret [15]. That is hydrogen transfer","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"5 1","pages":"921-924"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83034057","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2000-12-01DOI: 10.1051/ANALUSIS:2000164
D. Canac-Arteaga, F. Begnaud, C. Viallon, J. Berdagué
We investigated the effect of adding hygroscopic salts on the analysis by dynamic headspace - gas chromatography - mass spectrometry of the volatile fraction of cheese. We tested five salts: calcium chloride, magnesium sulfate, potassium car- bonate, sodium chloride and sodium sulfate. Relative humidity of the headspace, pH value of the matrix, desorption of volatile components and their odor were modified differently according to the salt used. Adding magnesium sulfate or potassium car- bonate respectively released carboxylic acids and amino compounds from the matrix, whereas calcium chloride restricted the over- all desorption of the volatile components. Sodium sulfate and sodium chloride had little effect.
{"title":"Effect of adding hygroscopic salts on the analysis of the volatile fraction of cheese","authors":"D. Canac-Arteaga, F. Begnaud, C. Viallon, J. Berdagué","doi":"10.1051/ANALUSIS:2000164","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000164","url":null,"abstract":"We investigated the effect of adding hygroscopic salts on the analysis by dynamic headspace - gas chromatography - mass spectrometry of the volatile fraction of cheese. We tested five salts: calcium chloride, magnesium sulfate, potassium car- bonate, sodium chloride and sodium sulfate. Relative humidity of the headspace, pH value of the matrix, desorption of volatile components and their odor were modified differently according to the salt used. Adding magnesium sulfate or potassium car- bonate respectively released carboxylic acids and amino compounds from the matrix, whereas calcium chloride restricted the over- all desorption of the volatile components. Sodium sulfate and sodium chloride had little effect.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"1 1","pages":"973-979"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90969280","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2000-12-01DOI: 10.1051/ANALUSIS:2000280885
W. Niessen
Major steps in the history of LC-MS were made using interfaces that only allow soft ionisation techniques, resulting in (de)protonated molecules with little or no fragmentation. Thermospray interfacing from the mid 1980 onwards for the first time gave a glimpse on what LC-MS could really do. With the broad implementation of the atmospheric-pressure ionization and interfacing, viz. (pneumatically-assisted) electrospray ionisation and interfacing (ESI) and the heated nebuliser in combination with atmosphericpressure chemical ionisation (APCI), LC-MS became a powerful technique which could even be used by less experienced people. However, in addition, the most frequent use of LC-MS today is quite different from the initial objective indicated above. LC-MS has significantly changed the impact of MS in a laboratory, because with LC-MS the mass spectrometer has entered both laboratories and application areas in a way which was certainly not foreseen at the beginning of its history in the mid 1970’s [2]. Especially the large interest in routine quantitative analysis and peptide and protein analysis was not anticipated. With LC-MS being based on soft ionisation techniques, the development of LC-MS to some extent stimulated the developments in tandem mass spectrometry, especially in triple-quadrupole and ion-trap instruments. With the ability to fragment the even-electron protonated or deprotonated ions, generated in ESI and APCI, by means of collisioninduced dissociation (CID), the first steps in the direction to structure elucidation could be made. However, soon it was realised that in fact there is far less knowledge on the fragmentation of these even-electron ions compared to that of odd-electron ions [3], as generated in EI. Despite the fact that many authors tried and still try to cover this by incorrectly calling the (de)protonated molecule a ‘(de)protonated molecular ion’ [4], this difference is obvious and important when one starts to interpret the MS‐MS product-ion mass spectra. In addition, the interpretation of the product-ion mass spectra must actually be performed, because no spectral libraries were available which could be used to assist in the structure elucidation.
{"title":"■ Structure elucidation by LC-MS. Foreword","authors":"W. Niessen","doi":"10.1051/ANALUSIS:2000280885","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000280885","url":null,"abstract":"Major steps in the history of LC-MS were made using interfaces that only allow soft ionisation techniques, resulting in (de)protonated molecules with little or no fragmentation. Thermospray interfacing from the mid 1980 onwards for the first time gave a glimpse on what LC-MS could really do. With the broad implementation of the atmospheric-pressure ionization and interfacing, viz. (pneumatically-assisted) electrospray ionisation and interfacing (ESI) and the heated nebuliser in combination with atmosphericpressure chemical ionisation (APCI), LC-MS became a powerful technique which could even be used by less experienced people. However, in addition, the most frequent use of LC-MS today is quite different from the initial objective indicated above. LC-MS has significantly changed the impact of MS in a laboratory, because with LC-MS the mass spectrometer has entered both laboratories and application areas in a way which was certainly not foreseen at the beginning of its history in the mid 1970’s [2]. Especially the large interest in routine quantitative analysis and peptide and protein analysis was not anticipated. With LC-MS being based on soft ionisation techniques, the development of LC-MS to some extent stimulated the developments in tandem mass spectrometry, especially in triple-quadrupole and ion-trap instruments. With the ability to fragment the even-electron protonated or deprotonated ions, generated in ESI and APCI, by means of collisioninduced dissociation (CID), the first steps in the direction to structure elucidation could be made. However, soon it was realised that in fact there is far less knowledge on the fragmentation of these even-electron ions compared to that of odd-electron ions [3], as generated in EI. Despite the fact that many authors tried and still try to cover this by incorrectly calling the (de)protonated molecule a ‘(de)protonated molecular ion’ [4], this difference is obvious and important when one starts to interpret the MS‐MS product-ion mass spectra. In addition, the interpretation of the product-ion mass spectra must actually be performed, because no spectral libraries were available which could be used to assist in the structure elucidation.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"38 1","pages":"885-887"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86684346","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2000-12-01DOI: 10.1051/ANALUSIS:2000280925
P. Marquet, N. Venisse, E. Lacassie, G. Lachâtre
A “general unknown” screening procedure for drugs and toxicants using LC-ES-MS was developed. It involved in-source collision induced dissociation of the molecular ions (in the negativeion mode) or protonated molecules (in the positive-ion mode) generally obtained from electrospray sources. Spectra were reconstructed by adding, on one hand, a pair of positive spectra, one without and one with fragmentation, and on the other a pair of negative spectra acquired in similar conditions. These reconstructed spectra showed at least as many fragments as MS/MS spectra, and sometimes as many as electron-ionisation spectra. They were repeatable and reproducible enough to be used for the specific identification of hundreds of molecules. Libraries of about 1100 positive spectra and 500 negative spectra were constructed and are used routinely, together with chromatographic separation involving a Nucleosil C18, 5 µm column (150 〈 1m m i.d.) and a gradient of acetonitrile in 2 mM, pH 3 ammonium formate as a screening technique complementary to GC-MS and HPLC-DAD.
开发了一种使用LC-ES-MS进行药物和毒物“一般未知”筛选的程序。它涉及通常从电喷雾源获得的分子离子(处于负离子模式)或质子化分子(处于正离子模式)的源内碰撞诱导解离。通过添加一对无破碎和有破碎的正光谱和一对在相似条件下获得的负光谱来重建光谱。这些重建的光谱显示的片段至少与质谱/质谱一样多，有时与电子电离谱一样多。它们是可重复和可复制的，足以用于数百种分子的特定鉴定。构建了约1100个阳性光谱库和500个阴性光谱库，并常规使用，同时采用色谱分离，涉及核sil C18, 5µm柱(150 < 1m m .d)和乙腈在2 mM, pH 3甲酸铵中梯度，作为与GC-MS和HPLC-DAD互补的筛选技术。
{"title":"In-source CID mass spectral libraries for the “general unknown” screening of drugs and toxicants","authors":"P. Marquet, N. Venisse, E. Lacassie, G. Lachâtre","doi":"10.1051/ANALUSIS:2000280925","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000280925","url":null,"abstract":"A “general unknown” screening procedure for drugs and toxicants using LC-ES-MS was developed. It involved in-source collision induced dissociation of the molecular ions (in the negativeion mode) or protonated molecules (in the positive-ion mode) generally obtained from electrospray sources. Spectra were reconstructed by adding, on one hand, a pair of positive spectra, one without and one with fragmentation, and on the other a pair of negative spectra acquired in similar conditions. These reconstructed spectra showed at least as many fragments as MS/MS spectra, and sometimes as many as electron-ionisation spectra. They were repeatable and reproducible enough to be used for the specific identification of hundreds of molecules. Libraries of about 1100 positive spectra and 500 negative spectra were constructed and are used routinely, together with chromatographic separation involving a Nucleosil C18, 5 µm column (150 〈 1m m i.d.) and a gradient of acetonitrile in 2 mM, pH 3 ammonium formate as a screening technique complementary to GC-MS and HPLC-DAD.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"4 1","pages":"925-934"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89758604","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2000-12-01DOI: 10.1051/ANALUSIS:2000280947
A. Stolker, R. Stephany, L. V. Ginkel
New EU guidelines for identification and quantification of organic residues and contaminants are established to guarantee efficient and reliable residue control of prohibited growth promoting agents, e.g. steroids and beta-agonists, and veterinary drugs. Reliability includes the reliability of the identification with spectrometric techniques. The guidelines take into account the implications of a detected violation. The unambiguous identification of a prohibited compound needs more information on the structure of the analyte than the identification of a registered veterinary drug of which the mass fraction detected exceeds the established Maximum Residue Limit. For detection using mass spectrometry this is reflected by the number of fragment ions that must be detected.
{"title":"Identification of residues by LC-MS. The application of new EU guidelines","authors":"A. Stolker, R. Stephany, L. V. Ginkel","doi":"10.1051/ANALUSIS:2000280947","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000280947","url":null,"abstract":"New EU guidelines for identification and quantification of organic residues and contaminants are established to guarantee efficient and reliable residue control of prohibited growth promoting agents, e.g. steroids and beta-agonists, and veterinary drugs. Reliability includes the reliability of the identification with spectrometric techniques. The guidelines take into account the implications of a detected violation. The unambiguous identification of a prohibited compound needs more information on the structure of the analyte than the identification of a registered veterinary drug of which the mass fraction detected exceeds the established Maximum Residue Limit. For detection using mass spectrometry this is reflected by the number of fragment ions that must be detected.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"5 1","pages":"947-951"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78514080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2000-11-01DOI: 10.1051/ANALUSIS:2000154
Y. Amao, I. Okura
dark prior to use. The thickness of the films was determined by the use of a micron-sensitive calliper. The thickness of the prepared film was c.a. 50 μm. The fluorescence spectrum of the C60 film was measured using a Shimadzu RF-5300PC spectrofluorophotometer with a 150 W Xenon lamp as the excitation light source. The excitation and emission bandpasses were 10 and 5.0 nm, respectively. The sample film was mounted at a 45o angle to minimize light scattering from the sample and substrate. The temperature (260-373 K) was controlled using an Oxford Instrument Optistat-DN cryostat system. All the experiments were carried out under ambient condition.
{"title":"Fullerene C$_{60}$ immobilized in polymethylmethacrylate film as an optical temperature sensing material","authors":"Y. Amao, I. Okura","doi":"10.1051/ANALUSIS:2000154","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000154","url":null,"abstract":"dark prior to use. The thickness of the films was determined by the use of a micron-sensitive calliper. The thickness of the prepared film was c.a. 50 μm. The fluorescence spectrum of the C60 film was measured using a Shimadzu RF-5300PC spectrofluorophotometer with a 150 W Xenon lamp as the excitation light source. The excitation and emission bandpasses were 10 and 5.0 nm, respectively. The sample film was mounted at a 45o angle to minimize light scattering from the sample and substrate. The temperature (260-373 K) was controlled using an Oxford Instrument Optistat-DN cryostat system. All the experiments were carried out under ambient condition.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"34 1","pages":"847-849"},"PeriodicalIF":0.0,"publicationDate":"2000-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74544267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2000-11-01DOI: 10.1051/ANALUSIS:2000157
J. Krupčík, P. Oswald, I. Špánik, P. Májek, M. Bajdichová, P. Sandra, Dw Armstrong
Manual or computer assisted peak deconvolution on chromatograms of the racemate of 1-chloro-2,2-dimethylaziridine enantiomers GC was used to determine the peak areas of enantiomers in the racemate prior ( AA,0, AB,0) and after the separation (AA, AB). These peak areas were used in the determination of apparent rate constants and apparent energy barrier to enantiomer- ization. Comparison of apparent energy barriers determined using deconvolution of chromatograms with data published in liter- ature showed differences within 7 % rel.
{"title":"On the use of a peak deconvolution procedure for the determination of energy barrier to enantiomerization in dynamic chromatography","authors":"J. Krupčík, P. Oswald, I. Špánik, P. Májek, M. Bajdichová, P. Sandra, Dw Armstrong","doi":"10.1051/ANALUSIS:2000157","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000157","url":null,"abstract":"Manual or computer assisted peak deconvolution on chromatograms of the racemate of 1-chloro-2,2-dimethylaziridine enantiomers GC was used to determine the peak areas of enantiomers in the racemate prior ( AA,0, AB,0) and after the separation (AA, AB). These peak areas were used in the determination of apparent rate constants and apparent energy barrier to enantiomer- ization. Comparison of apparent energy barriers determined using deconvolution of chromatograms with data published in liter- ature showed differences within 7 % rel.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"19 1","pages":"859-863"},"PeriodicalIF":0.0,"publicationDate":"2000-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78703542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2000-11-01DOI: 10.1051/ANALUSIS:2000280763
C. Bennetau-Pelissero, K. Latonnelle, A. Sequeira, V. Lamothe
Phytoestrogens are estrogens present in various plants some of which enter human consumption. They belong to different chemical family such as isoflavone, coumestane, resorcilic acid lactones, stylbens and lignans. In plants as in animal fluids they are encountered as conjugated forms. In plants they are found as glycosides, malonyles or acetyles when in animal fluids they are present as glucuronide or sulfate derivatives. They are present in great amount in all soy by products. They are known to interact at different steps of the estrogen pathway including the target cells and the estrogen receptor level. They also act at different steps of the estrogen cycle. They were demonstrated to disrupt the reproductive process in various mammalian species and to interfere with the estrogen cycle in women. They could also be responsible cycle in women. They could also be responsible for positive effect such as protection against cancer or cardiovascular diseases. An objective point is made on literature data in order to highlight potential beneficial or adverse effects.
{"title":"Phytoestrogens, endocrine disrupters from food","authors":"C. Bennetau-Pelissero, K. Latonnelle, A. Sequeira, V. Lamothe","doi":"10.1051/ANALUSIS:2000280763","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000280763","url":null,"abstract":"Phytoestrogens are estrogens present in various plants some of which enter human consumption. They belong to different chemical family such as isoflavone, coumestane, resorcilic acid lactones, stylbens and lignans. In plants as in animal fluids they are encountered as conjugated forms. In plants they are found as glycosides, malonyles or acetyles when in animal fluids they are present as glucuronide or sulfate derivatives. They are present in great amount in all soy by products. They are known to interact at different steps of the estrogen pathway including the target cells and the estrogen receptor level. They also act at different steps of the estrogen cycle. They were demonstrated to disrupt the reproductive process in various mammalian species and to interfere with the estrogen cycle in women. They could also be responsible cycle in women. They could also be responsible for positive effect such as protection against cancer or cardiovascular diseases. An objective point is made on literature data in order to highlight potential beneficial or adverse effects.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"31 1","pages":"763-775"},"PeriodicalIF":0.0,"publicationDate":"2000-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82432733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2000-11-01DOI: 10.1051/ANALUSIS:2000280789
A. M. Ferreira-Leach, E. Hill
Eearly stages of fish have been reported to be particularly sensitive to the effects of xenoestrogens which may cause irreversible changes in sexual differentiation and development. In this study we report the uptake and metabolism of an oestrogenic alkyphenol, 4-tert-octylphenol (t-OP) in roach (Rutilus rutilus) fry. Roach fry, aged 7 days post hatch (DPH) were exposed to a concentration 5.8 ± 0.8 μg/L or radiolabelled [ 14 C] t-OP in a semi-static system and were sampled 5, 12 and 19 days after exposure. After 5 days of exposure the bioconcentration factor (BCF) for t-OP residues was 346, whereas after 12 and 19 days of exposure steady state conditions in the fish were reached with BCFs of 1061 and 1134 respectively. Radio-HPLC analysis of 7 DPH fry exposed for 5 days to t-OP revealed that the majority of residues were present as the parent compound. However when 26 DPH fry were exposed to t-OP for 5 days, t-OP only made up 22% of the total radioactivity, the remainder of which were a mixture of metabolites. The major metabolite was identified as the glucuronide conjugate of t-OP. This study suggests that alkylphenols can bioconcentrate to high levels in larval fish but that roach fry can rapidly conjugate them to more polar metabolites.
{"title":"Bioconcentration and metabolism of 4-tert-octylphenol in roach (Rutilus rutilus) fry","authors":"A. M. Ferreira-Leach, E. Hill","doi":"10.1051/ANALUSIS:2000280789","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000280789","url":null,"abstract":"Eearly stages of fish have been reported to be particularly sensitive to the effects of xenoestrogens which may cause irreversible changes in sexual differentiation and development. In this study we report the uptake and metabolism of an oestrogenic alkyphenol, 4-tert-octylphenol (t-OP) in roach (Rutilus rutilus) fry. Roach fry, aged 7 days post hatch (DPH) were exposed to a concentration 5.8 ± 0.8 μg/L or radiolabelled [ 14 C] t-OP in a semi-static system and were sampled 5, 12 and 19 days after exposure. After 5 days of exposure the bioconcentration factor (BCF) for t-OP residues was 346, whereas after 12 and 19 days of exposure steady state conditions in the fish were reached with BCFs of 1061 and 1134 respectively. Radio-HPLC analysis of 7 DPH fry exposed for 5 days to t-OP revealed that the majority of residues were present as the parent compound. However when 26 DPH fry were exposed to t-OP for 5 days, t-OP only made up 22% of the total radioactivity, the remainder of which were a mixture of metabolites. The major metabolite was identified as the glucuronide conjugate of t-OP. This study suggests that alkylphenols can bioconcentrate to high levels in larval fish but that roach fry can rapidly conjugate them to more polar metabolites.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"1 1","pages":"789-792"},"PeriodicalIF":0.0,"publicationDate":"2000-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79650860","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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