Appendix 2-5: Rejected ecotox bibliography for Chlorpyrifos



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This work intended to characterize the soluble ChEs present in pumpkinseed sunfish (Lepomis gibbosus) total head and dorsal muscle homogenates, through the use of different substrates and selective inhibitors of cholinesterasic activity. Also, the in vitro effects of sodium dodecylsulphate (SDS - anionic detergent) and chlorfenvinphos (organophosphate pesticide) on the enzymatic activity of the mentioned species were investigated. In general terms, the predominant cholinesterasic form present in both tissues was acetylcholinesterase. Chlorfenvinphos was responsible for inhibitory effects on AChE activity, while SDS did not cause any significant effect. These results suggest that in environmental monitoring programs, L. gibbosus head and dorsal muscle AChE can be an adequate diagnostic tool for exposure to OP pesticides; this conclusion however is not applicable to detergent residues. We also discuss the usefulness of L. gibbosus as an alternative model system and valuable option for freshwater ecotoxicological monitoring programs. (C) 2010 Elsevier Inc. All rights reserved.
Keywords: Lepomis gibbosus, Cholinesterases characterization, Environmental
ISI Document Delivery No.: 716IE

1140. Rodriguez, T.; de Joode, B. V.; Lindh, C. H.; Rojas, M.; Lundberg, I., and Wesseling, C. Assessment of long-term and recent pesticide exposure among rural school children in Nicaragua. 2012; 69, (2): 119-125.


Rec #: 67779
Keywords: HUMAN HEALTH
Notes: Chemical of Concern: CPY
Abstract: Abstract: Objective This study assessed pesticide exposure of children in rural Nicaragua in relation to parental pesticide use, from around conception to current school age, as part of an epidemiological evaluation of neurodevelopment effects. Methods We included 132 children whose parents were subsistence farmers or plantation workers, or had an agricultural history. As proxies for children's long-term exposures, we constructed cumulative parental pesticide-specific use indices for periods before and after the child's birth from data obtained using an icon-calendar-based questionnaire, of application hours (h) for plantation workers and subsistence farmers, and of kilograms of active ingredients (ai) only for subsistence farmers. Pesticide residues of TCPY, 3-PBA and 2,4-D were analysed in children's urine as indicators for current exposures. Results Life-time indices were highest for the organophosphates chlorpyrifos (median 114 h (min 2; max 1584), 19.2 kg ai (min 0.37; max 548)) and methamidophos (84 h (6; 1964), 12.2 kg ai (0.30; 780)). The P50 values of children's urinary residues were 3.7 mu g/g creatinine for TCPY, 2.8 for 3-PBA and 0.9 for 2,4-D; TCPY values are comparable with those in other countries, but 3-PBA and 2,4-D are considerably higher. The maximum levels for all three pesticides are the highest reported for children. Residues increased on days after application, but most high residue levels were unrelated to parental pesticide applications. Conclusion Urinary pesticide residues reveal high environmental exposure among children in rural Nicaragua. The quantitative parental pesticide use indices as proxies for children's exposures during different periods may be useful for the evaluation of developmental health effects.
Keywords: PRESCHOOL-CHILDREN, CRITICAL WINDOWS, HEALTH, HOME,
ISI Document Delivery No.: 879CQ

1141. Roepcke, C. B. S.; Muench, S. B.; Schulze, H.; Bachmann, T.; Schmid, R. D., and Hauer, B. Analysis of Phosphorothionate Pesticides Using a Chloroperoxidase Pretreatment and Acetylcholinesterase Biosensor Detection. 2010; 58, (15): 8748-8756.


Rec #: 67819
Keywords: FOOD
Notes: Chemical of Concern: CPY
Abstract: Abstract: Acetylcholinesterase (AChE) is responsible for the hydrolysis of acetylcholine in the nervous system. It is inhibited by organophosphate and carbamate pesticides. However, this enzyme is only slightly inhibited by organophosphorothionates, which makes the detection of these pesticides analytically very difficult. A new enzymatic method for the activation and detection of phosphorothionates was developed with the capability to be used directly in food samples without the need of laborious solvent extraction steps. Chloroperoxidase (CPO) from Caldariomyces fumago was combined with tert-butyl hydroperoxide and two halides. Chlorpyrifos and triazophos were completely oxidized. Fenitrothion, methidathion and parathion methyl showed conversion rates between 54 and 61%. Furthermore, the oxidized solution was submitted to an AChE biosensor assay. Chlorpyrifos spiked in organic orange juice was oxidized, where its oxon product was detected in concentrations down to 5 mu g/L (final concentration food sample: 25 mu g/L). The complete duration of the method takes about 2 h.
Keywords: Chloroperoxidase, acetylcholinesterase biosensor, phosphorothionates,
ISI Document Delivery No.: 633AN

1142. Roex, E. W. M.; Van Gestel, C. A. M.; Van Wezel, A. P., and Van Straalen, N. M. Ratios Between Acute Aquatic Toxicity and Effects on Population Growth Rates in Relation to Toxicant Mode of Action. 2000; 19, (3): 685-693.


Rec #: 1940
Keywords: REFS CHECKED,REVIEW
Call Number: NO REFS CHECKED (AZ,CPY,DCA,DZ,FNV,Zn,Zn element), NO REVIEW (AZ,CPY,DCA,DZ,FNV,Zn,Zn element)
Notes: Chemical of Concern: AZ,CPY,DCA,DZ,FNV,Zn

1143. Rohlman, D. S.; Lasarev, M.; Anger, W. K.; Scherer, J.; Stupfel, J., and McCauley, L. Neurobehavioral Performance of Adult and Adolescent Agricultural Workers. 2007; 28, (2): 374-380.


Rec #: 67869
Keywords: HUMAN HEALTH
Notes: Chemical of Concern: CPY
Abstract: Abstract: There are many occupational hazards associated with working in agriculture including risk of injury and exposure to pesticides. Research examining neurobehavioral effects of pesticide exposure have focused primarily on the acute effects in adults working in agriculture. Organophosphate poisoned populations have shown a consistent pattern of deficits when compared to a non-exposed or non-poisoned population on measures of motor speed and coordination, sustained attention, and information processing speed. Fewer studies have examined the effect of long-term low-level exposure on nervous system functioning in agricultural workers. Pesticides are thought to pose a considerably higher risk to children than to adults, yet little is known about the extent or magnitude of health problems related to occupational exposure to pesticides in children and adolescents. The present study compared the neurobehavioral performance of adolescents and adults working in agriculture and examined the impact of years working in agriculture on neurobehavioral performance. One hundred seventy-five Hispanic adolescent and adults completed a neurobehavioral test battery consisting of 10 computer-based tests measuring attention, response speed, coordination and memory. Age, gender, school experience, and years working in agriculture all impacted performance on the neurobehavioral tests. Comparison of adult and adolescents did not reveal decreased neurobehavioral performance in adolescents. On several tests the adolescents performed better than adult counterparts. The adolescents and adults were engaged in comparable agricultural working environments at the time of the neurobehavioral testing. These findings suggest that, at the time of exposure to pesticides, adolescents are not more vulnerable to the effects of working in agriculture. Evidence from this study suggests that cumulative exposure to low levels of pesticides over many years of agricultural work is associated with neurological impairment as measured by the Selective Attention, Symbol-Digit, Reaction Time tests. Experience handling pesticides was also associated with deficits in neurobehavioral performance. (c) 2006 Elsevier Inc. All rights reserved.
Keywords: neurobehavioral tests, pesticides, adolescents, agriculture, hispanic
ISI Document Delivery No.: 184LV

1144. Ronday, R.; Aalderink, G. H., and Crum, S. J. H. Application Methods of Pesticides to an Aquatic Mesocosm in Order to Simulate Effects of Spray Drift. 1998; 32, (1): 147-153.


Rec #: 1290
Keywords: NO SPECIES
Call Number: NO SPECIES (CPY)
Notes: Chemical of Concern: CPY

1145. Roseboom, D.; Hill, T.; Rodsater, J., and Felsot, A. Stream Yields from Agricultural Chemicals and Feedlot Runoff from an Illinois Watershed. 1990: 133 p.


Rec #: 1970
Keywords: NO DURATION,SURVEY
Call Number: NO DURATION (ACR,ATZ,CBF,CPY,DMT,MTL,TBO,TFN), NO SURVEY (ACR,ATZ,CBF,CPY,DMT,MTL,TBO,TFN)
Notes: Chemical of Concern: ACR,ATZ,CBF,CPY,CZE,DMT,FNF,MBZ,MTL,TBO,TFN

1146. Rosner, M. R. Map Kinase Meets Mitosis: a Role for Raf Kinase Inhibitory Protein in Spindle Checkpoint Regulation.


Rec #: 51479
Keywords: NO TOXICANT
Notes: Chemical of Concern: CPY
Abstract: COMMENTS: Cites: Nature. 1999 Sep 9;401(6749):173-7 (medline /10490027)
COMMENTS: Cites: Genes Dev. 1998 Oct 1;12(19):2997-3007 (medline /9765202)
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COMMENTS: Cites: J Biol Chem. 2000 Oct 13;275(41):31876-82 (medline /10884385)
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COMMENTS: Cites: J Cell Biol. 2003 Apr 28;161(2):281-94 (medline /12707311)
COMMENTS: Cites: J Cell Biol. 2003 Apr 28;161(2):267-80 (medline /12719470)
COMMENTS: Cites: J Natl Cancer Inst. 2003 Jun 18;95(12):878-89 (medline /12813171)
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COMMENTS: Cites: Oncogene. 2004 Mar 15;23(11):2016-27 (medline /15021889)
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COMMENTS: Cites: Cancer Res. 2004 Aug 1;64(15):5186-92 (medline /15289323)
COMMENTS: Cites: Chromosoma. 2004 Nov;113(5):211-22 (medline /15351889)
COMMENTS: Cites: Cancer Res. 2004 Oct 1;64(19):7117-26 (medline /15466208)
COMMENTS: Cites: J Cell Biochem. 2005 Feb 1;94(2):273-8 (medline /15565643)
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COMMENTS: Cites: J Cell Biol. 1997 Mar 10;136(5):1091-7 (medline /9060473)
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ABSTRACT: Raf Kinase Inhibitory Protein (RKIP) is an evolutionarily conserved protein that functions as a modulator of signaling by the MAP kinase cascade. Implicated as a metastasis suppressor, Raf Kinase Inhibitory Protein depletion correlates with poor prognosis for breast, prostate and melanoma tumors but the mechanism is unknown. Recent evidence indicates that Raf Kinase Inhibitory Protein regulates the mitotic spindle assembly checkpoint by controlling Aurora B Kinase activity, and the mechanism involves Raf/MEK/ERK signaling. In contrast to elevated MAP kinase signaling during the G1, S or G2 phases of the cell cycle that activates checkpoints and induces arrest or senescence, loss of RKIP during M phase leads to bypass of the spindle assembly checkpoint and the generation of chromosomal abnormalities. These results reveal a role for Raf Kinase Inhibitory Protein and the MAP kinase cascade in ensuring the fidelity of chromosome segregation prior to cell division. Furthermore, these data highlight the need for precise titration of the MAP kinase signal to ensure the integrity of the spindle assembly process and provide a mechanism for generating genomic instability in tumors. Finally, these results raise the possibility that RKIP status in tumors could influence the efficacy of treatments such as poisons that stimulate the Aurora B-dependent spindle assembly checkpoint. eng

1147. Roszko, M.; Szterk, A.; Szymczyk, K., and Waszkiewicz-Robak, B. PAHs, PCBs, PBDEs and Pesticides in Cold-Pressed Vegetable Oils. 2012; 89, (3): 389-400.


Rec #: 67899
Keywords: FOOD
Notes: Chemical of Concern: CPY
Abstract: Abstract: The aim of this study was to investigate levels of polychlorinated biphenyls (marker and dioxin-like congeners), polycyclic aromatic hydrocarbons (EPA 15 + 1), polybrominated diphenyl ethers (14 predominant congeners) and pesticides (74 compounds) in various cold-pressed vegetable oils. Poppy seed oil, rapeseed oil, sesame seed oil, pumpkinseed oil, hempseed oil, linaire oil, borage oil and evening star oil were investigated. Results of this study revealed that concentrations of PCBs, PBDEs and PAHs were low in majority of the investigated samples. However, high concentrations of organophosphorus insecticides were found. Chlorpyrifos methyl and pirimiphos methyl were the pesticide residues most commonly found in the studied oils. Concentration of 15 + 1 EPA PAHs was within the 17.85-37.16 mu g kg(-1) range, concentration of (marker) PCBs varied from 127 to 24,882 pg g(-1), dioxin-like TEQ values were below 0.1 pg TEQ g(-1). Concentration of PBDEs was below LOQ in most cases.
Keywords: Food contamination, PAH, PCB, PBDE, Pesticides, Vegetable oils
ISI Document Delivery No.: 959DK

1148. Rotariu, Lucian; Zamfir, Lucian-Gabriel, and Bala, Camelia. A rational design of the multiwalled carbon nanotubeÇô7,7,8,8-tetracyanoquinodimethan sensor for sensitive detection of acetylcholinesterase inhibitors. 2012 Oct 20-; 748, (0): 81-88.


Rec #: 4770
Keywords: CHEM METHODS
Notes: Chemical of Concern: CPY
Abstract: A new, simple and effective amperometric acetylcholinesterase biosensor was developed using screen-printed carbon electrodes modified with carbon nanotubes (MWCNTs)Çô7,7,8,8-tetracyanoquinodimethane (TCNQ). The design of the biosensor was based on the supramolecular arrangement resulted from the interaction of MWCNTs and TCNQ. This arrangement was confirmed by spectroscopic and electrochemical techniques. Two different supramolecular arrangements were proposed based on different MWCNTs:TCNQ ratios. The synergistic effect of MWCNTs and TCNQ was, for the first time, exploited for detection of thiocholine at low potential with high sensitivity. The biosensor developed by immobilization of acetylcholinesterase (AChE) in solÇôgel allowed the detection of two reference AChE inhibitors, paraoxon-methyl and chlorpyrifos with detection limits of 30 pM (7 ppt) and 0.4 nM (0.1 ppb), respectively. Efficient enzyme reactivation was obtained by using obidoxime. Carbon nanotube/ TCNQ/ Acetylcholinesterase/ Supramolecular arrangement/ Screen printed electrode/ Biosensor

1149. Rother, Hanna-Andrea. Falling Through the Regulatory Cracks: Street Selling of Pesticides and Poisoning Among Urban Youth in South Africa. 2010 Apr-2010 Jun 30; 16, (2): 202-13.


Rec #: 47989
Keywords: HUMAN HEALTH
Notes: Chemical of Concern: CPY
Abstract: Abstract: In South Africa, as in much of the developing world, youth participation in the informal, unregulated street pesticide market results in exposures and risks of acute and chronic effects, yet has gone largely undocumented. A conceptual framework for understanding youth involvement in street pesticide sales and use includes contextual factors, health outcomes, and externalities (unintended negative consequences). An exploratory study based on this framework shows that highly-toxic pesticides, such as aldicarb, methamidophos, and chlorpyrifos, are easily available in informal markets in Cape Town's urban periphery. Youth are involved in the sale, distribution, and use of street pesticides, and are exposed during handling, transportation, spillage, storage, use and other activities, with little safety information available. Demand and supply for street pesticides is driven by joblessness, poverty, and inadequate pest management strategies. National and international efforts addressing underlying contextual determinants are required to protect children from exposures to street pesticides. [PUBLICATION ABSTRACT]
Keywords: Phosphoric Acid Esters
Keywords: Cape Town South Africa
Keywords: Urban Population -- statistics & numerical data
Keywords: Humans
Keywords: Pesticides -- poisoning
Keywords: Aldicarb
Keywords: Population Surveillance
Keywords: Environmental Studies
Keywords: Pyrethrins
Keywords: Pesticides
Keywords: Adult
Keywords: Occupational Exposure -- adverse effects
Keywords: Middle Aged
Keywords: South Africa
Keywords: Adolescent
Keywords: Human Rights
Keywords: Aldicarb -- poisoning
Keywords: Female
Keywords: Male
Keywords: Phosphoric Acid Esters -- poisoning
Keywords: Pyrethrins -- poisoning
Copyright - Copyright Hamilton Hardy Publishing Apr-Jun 2010
Language of summary - English
Location - Cape Town South Africa
Pages - 202-13
ProQuest ID - 215551858
Document feature - Tables; Diagrams; Photographs; References
SubjectsTermNotLitGenreText - Cape Town South Africa
Last updated - 2012-03-04
Place of publication - Philadelphia
Corporate institution author - Rother, Hanna-Andrea
DOI - 2034921131; 52165951; 49933; NJOH; 20465065; INODNJOH0000371861 English

1150. Rougier, N. M.; Vico, R. V.; de Rossi, R. H., and Bujan, E. I. Reactivity of the Insecticide Fenitrothion toward O and N Nucleophiles. 2010; 75, (10): 3427-3436.


Rec #: 67909
Keywords: FATE
Notes: Chemical of Concern: CPY
Abstract: Abstract: The reactivity of Fenitrothion (1) toward several O- and N-based nucleophiles, including ambident and alpha-nucleophiles, was investigated in basic media at 25 degrees C in water containing 2% 1,4-dioxane. In the reactions with HO(-) and HOO(-) quantitative formation of 3-methyl-4-nitrophenoxide (2) was observed indicating a S(N)2(P) pathway. In the reactions with NH(2)OH, NH(2)O(-), and BuNH(2), demethylfenitrothion (4) was formed along with 2, indicating competition between the S(N)2(P) and S(N)2(C) pathways; no evidence of a S(N)Ar pathway was observed in any case. The observed rate constants were dissected into the values corresponding to the S(N)2(P) and S(N)2(C) pathways. The yield of 4 depends on the nucleophile and on the pH of the reaction, being the main product in the case of BuNH(2). With HOO(-), NH(2)OH, and NH(2)O(-) a significant alpha-effect was observed, confirming the participation of the nucleophile in the rate-limiting step of the reaction.
Keywords: HYDROPHOBIC ORGANIC-COMPOUNDS, SOIL-WATER INTERACTIONS, PESTICIDE
ISI Document Delivery No.: 594IT

1151. Rouimi, Patrick; Zucchini-Pascal, Nathalie; Dupont, Gwendoline; Razpotnik, Andrej; Fouche, Edwin; De Sousa, Georges; Rahmani, Roger, and Rouimi, Patrick. Impacts of Low Doses of Pesticide Mixtures on Liver Cell Defence Systems. 2012 Aug; 26, (5): 718-726.


Rec #: 42649
Keywords: IN VITRO
Notes: Chemical of Concern: CPY
Abstract: Abstract: Low amounts of residual pesticides are present in the environment, often as mixtures of chemicals which contaminate drinking water and food, being a source of chronic exposure for humans and a growing matter of concern in public health policy. Despite of the needs and growing investigation, little is known about the impact of low doses and mixtures of these chemicals on human health. The purpose of this study was to enlighten if modifications of liver cell metabolic- and/or defence-related capacities could occur under such exposures. In vitro perturbations of several metabolic, stress and survival pathways in human and mice cultured hepatocytes and liver cells were evaluated under exposure to low doses of single molecules or equimolecular combinations of the three pesticides, atrazine, chlorpyrifos and endosulfan. Mainly phases I and II enzymes of detoxification were found modulated, together with apoptotic process deregulation. Hence, CYP3A4 and CYP3A11 were upregulated in primary cultured human and mouse hepatocytes, respectively. These inductions were correlated to an anti-apoptotic process (increased Bcl-xL/Bax ratio, inhibition of the PARP protein cleavage). Such disturbances in pathways involved in cell protection may possibly account for initiation of pathologies or decrease in drugs efficiency in humans exposed to multiple environmental contaminants.
Keywords: Detoxification
Keywords: Cell survival
Keywords: Chemicals
Keywords: Apoptosis
Keywords: Hepatocytes
Keywords: Public health
Keywords: Bcl-x protein
Keywords: Chronic exposure
Keywords: Poly(ADP-ribose) polymerase
Keywords: Food sources
Keywords: Drugs
Keywords: Pollution Abstracts; Toxicology Abstracts
Keywords: X 24330:Agrochemicals
Keywords: P 2000:FRESHWATER POLLUTION
Keywords: Stress
Keywords: Enzymes
Keywords: Mice
Keywords: Endosulfan
Keywords: Chlorpyrifos
Keywords: Bax protein
Keywords: Atrazine
Keywords: Pesticides
Keywords: Liver
Keywords: Contaminants
Keywords: Drinking water
Date revised - 2012-06-01
Language of summary - English
Pages - 718-726
ProQuest ID - 1020846826
SubjectsTermNotLitGenreText - Detoxification; Cell survival; Apoptosis; Hepatocytes; Enzymes; Stress; Public health; Endosulfan; Chlorpyrifos; Bcl-x protein; Chronic exposure; Poly(ADP-ribose) polymerase; Bax protein; Food sources; Pesticides; Atrazine; Drinking water; Contaminants; Drugs; Chemicals; Liver; Mice
Last updated - 2012-12-03
British nursing index edition - Toxicology In Vitro [Toxicol. In Vitro]. Vol. 26, no. 5, pp. 718-726. Aug 2012.
Corporate institution author - Rouimi, Patrick; Zucchini-Pascal, Nathalie; Dupont, Gwendoline; Razpotnik, Andrej; Fouche, Edwin; De Sousa, Georges; Rahmani, Roger
DOI - 10189f36-d607-44a3-8038csamfg201; 16793302; 0887-2333 English

1152. Roy, Anamika; Bajpai, J; Bajpai, a K, and Roy, Anamika. Dynamics of Controlled Release of Chlorpyrifos From Swelling and Eroding Biopolymeric Microspheres of Calcium Alginate and Starch. 2009 Mar; 76, (2): 222-231.


Rec #: 41349
Keywords: FATE
Notes: Chemical of Concern: CPY
Abstract: Abstract: In the present study biopolymer microspheres of sodium alginate and starch were prepared by employing CaCl2 as a crosslinker. A series of such microspheres of different compositions were prepared by varying the amounts of sodium alginate, starch and CaCl2 in the feed mixture. The prepared microspheres were loaded with an insecticide, chlorpyrifos, and both the native (unloaded) and loaded microspheres were characterized by FTIR and SEM techniques to gain insights into the structural and morphological features of the beads. The swelling experiments were performed for different compositions of beads at varying pH and temperature of the release medium. The swelling and erosion controlled release of insecticide was investigated for 8 days taking bidistilled water as a release medium. The release experiments were carried out under the static and varying experimental conditions and the data obtained were fitted to Ficks equation to evaluate diffusion co-efficient of insecticide. The results were further analyzed by Ficks power law equation, and the possible mechanisms of the insecticide release were suggested. In order to demonstrate the possible applicability of the present release system to natural agricultural fields the soil-pot experiments were designed and release profiles were studied.
Keywords: Temperature effects
Keywords: Data processing
Keywords: Mathematical models
Keywords: Biopolymers
Keywords: W 30935:Food Biotechnology
Keywords: Starch
Keywords: Controlled release
Keywords: Chlorpyrifos
Keywords: Insecticides
Keywords: sodium alginate
Keywords: Biotechnology and Bioengineering Abstracts
Keywords: calcium alginate
Keywords: microspheres
Keywords: Diffusion
Keywords: Carbohydrates
Keywords: pH effects
Date revised - 2009-03-01
Language of summary - English
Pages - 222-231
ProQuest ID - 20409655
SubjectsTermNotLitGenreText - microspheres; Insecticides; Starch; Controlled release; Chlorpyrifos; Mathematical models; sodium alginate; calcium alginate; Data processing; Diffusion; Temperature effects; Carbohydrates; pH effects; Biopolymers
Last updated - 2011-12-14
British nursing index edition - Carbohydrate Polymers [Carbohydr. Polym.]. Vol. 76, no. 2, pp. 222-231. Mar 2009.
Corporate institution author - Roy, Anamika; Bajpai, J; Bajpai, A K
DOI - MD-0009436451; 9086319; 0144-8617 English

1153. Ruark, C. D.; Hack, C. E.; Robinson, P. J., and Gearhart, J. M. Quantitative Structure-Activity Relationships for Organophosphates Binding to Trypsin and Chymotrypsin. 2011; 74, (1): 1-23.


Rec #: 67989
Keywords: QSAR
Notes: Chemical of Concern: CPY
Abstract: Abstract: Organophosphate (OP) nerve agents such as sarin, soman, tabun, and O-ethyl S-[2-(diisopropylamino) ethyl] methylphosphonothioate (VX) do not react solely with acetylcholinesterase (AChE). Evidence suggests that cholinergic-independent pathways over a wide range are also targeted, including serine proteases. These proteases comprise nearly one-third of all known proteases and play major roles in synaptic plasticity, learning, memory, neuroprotection, wound healing, cell signaling, inflammation, blood coagulation, and protein processing. Inhibition of these proteases by OP was found to exert a wide range of noncholinergic effects depending on the type of OP, the dose, and the duration of exposure. Consequently, in order to understand these differences, in silico biologically based dose-response and quantitative structure-activity relationship (QSAR) methodologies need to be integrated. Here, QSAR were used to predict OP bimolecular rate constants for trypsin and -chymotrypsin. A heuristic regression of over 500 topological/constitutional, geometric, thermodynamic, electrostatic, and quantum mechanical descriptors, using the software Ampac 8.0 and Codessa 2.51 (SemiChem, Inc., Shawnee, KS), was developed to obtain statistically verified equations for the models. General models, using all data subsets, resulted in R2 values of .94 and .92 and leave-one-out Q2 values of 0.9 and 0.87 for trypsin and -chymotrypsin. To validate the general model, training sets were split into independent subsets for test set evaluation. A y-randomization procedure, used to estimate chance correlation, was performed 10,000 times, resulting in mean R2 values of .24 and .3 for trypsin and -chymotrypsin. The results show that these models are highly predictive and capable of delineating the complex mechanism of action between OP and serine proteases, and ultimately, by applying this approach to other OP enzyme reactions such as AChE, facilitate the development of biologically based dose-response models.
Keywords: BLOOD PARTITION-COEFFICIENTS, SERINE-PROTEASE INHIBITORS,
ISI Document Delivery No.: 687GJ

1154. Rubach, Mascha N; Baird, Donald J; Boerwinkel, Marie-Claire; Maund, Stephen J; Roessink, Ivo; Brink, Paul J, and Rubach, Mascha N. Species Traits as Predictors for Intrinsic Sensitivity of Aquatic Invertebrates to the Insecticide Chlorpyrifos. 2012 Oct; 21, (7): 2088-2101.


Rec #: 38519
Keywords: REVIEW
Notes: Chemical of Concern: CPY
Abstract: Abstract: Ecological risk assessment (ERA) has followed a taxonomy-based approach, making the assumption that related species will show similar sensitivity to toxicants, and using safety factors or species sensitivity distributions to extrapolate from tested to untested species. In ecology it has become apparent that taxonomic approaches may have limitations for the description and understanding of species assemblages in nature. Therefore it has been proposed that the inclusion of species traits in ERA could provide a useful and alternative description of the systems under investigation. At the same time, there is a growing recognition that the use of mechanistic approaches in ERA, including conceptual and quantitative models, may improve predictive and extrapolative power. Purposefully linking traits with mechanistic effect models could add value to taxonomy-based ERA by improving our understanding of how structural and functional system facets may facilitate inter-species extrapolation. Here, we explore whether and in what ways traits can be linked purposefully to mechanistic effect models to predict intrinsic sensitivity
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