Rate Coefficients For Hydrolysis Research Articles

TRANSMISSION OF POLAR SUBSTITUENT EFFECTS IN 4`-SUBSTITUTED DIPHENYLACETYLENE-4-CARBOXYLIC ACIDS

A series of 4'-substituteddiphenylacetylene-4-carboxylic acids' alkaline hydrolysis rate coefficients were measured in 70%(v/v) dimethyl sulfoxide- water at 30.0 C. Using a solution of 80% (w/w) 2-methoxyethanol - water at 25.0 C, the pKa values of 4'- substituted diphenylacetylene-4-carboxylic acids have been determined. Esterification rate constants of corresponding acids with diazodiphenylmethane have been measured at 300C. For the transmission of dipolar ireversible dipolar substituent effects were seen for 4' - substituted diphenylacetylene-4-carboxylic acids. it was normal substituent effects are observed from 4`-substituted diphenylacetylene-4-carboxylic acids .Therefor it is conceivable to explain clearly the polar of substituent effect of the transmission via path of direct field of electrostatic in this system according to the results shown in tables 8,10 and 12

Rheological properties and in vitro hydrolytic stability of the carboxymethylcellulose–dioxidine composition

The composition of carboxymethylcellulose–dioxydine was obtained and its structural, morphological and rheological characteristics in the processes of heat treatment and chemical hydrolysis were studied. Using IR spectroscopy, scanning electron microscopy, and viscometry, it has been established that the introduction of dioxidine into a solution of carboxymethylcellulose sodium salt with different molecular weights leads to partial disordering of hydrogen bonds between macromolecules, promotes thermal destruction of the polysaccharide and a decrease in the dynamic viscosity of solutions. Experimental kinetic curves of carboxymethylcellulose hydrolysis in the presence and absence of dioxidine were obtained, and it was shown that they could be described using a first-order equation. The hydrolysis rate coefficients were calculated, and it was shown that, as a result of heat treatment, as well as in the presence of an active substance, the rate of carboxymethylcellulose hydrolysis increased. The change in the rheological properties of carboxymethylcellulose sodium salt solutions with different degrees of polymerization in the presence of an antimicrobial substance should be taken into account when choosing the composition of viscous prolonged forms of biologically active substances.

Construction of a structural enzyme adsorption/kinetics model to elucidate additives associated lignin-cellulase interactions in complex bioconversion system.

Enzymatic hydrolysis is a rate-limiting process in lignocellulose biorefinery. The reaction involves complex enzyme-substrate and enzyme-lignin interactions in both liquid and solid phases, and has not been well characterized numerically. In this study, a kinetic model was developed to incorporate dynamic enzyme adsorption and product inhibition parameters into hydrolysis simulation. The enzyme adsorption coefficients obtained from Langmuir isotherm were fed dynamically into first-order kinetics for simulating the equilibrium enzyme adsorption in hydrolysis. A fractal and product inhibition kinetics was introduced and successfully applied to improve the simulation accuracy on adsorbed enzyme and glucose concentrations at different enzyme loadings, lignin contents, and in the presence of bovine serum albumin (BSA) and lysozyme. The model provided numerical proof quantifying the beneficial effects of both additives, which improved the hydrolysis rate by reducing the nonproductive adsorption of enzyme on lignin. The hydrolysis rate coefficient and fractal exponent both increased with increasing enzyme loadings, and lignin inhibition exhibited with increasing fractal exponent. Compared with BSA, the addition of lysozyme exhibited higher hydrolysis rates, which was reflected in the larger hydrolysis rate coefficients and smaller fractal exponents in the simulation. The model provides new insights to support process development, control, and optimization.

Laccase pretreatment of wheat straw: effects of the physicochemical characteristics and the kinetics of enzymatic hydrolysis

BackgroundWheat straw, the most abundant lignocellulosic biomass in China, is rich in cellulose that can be hydrolyzed and then converted into biofuels, such as bioethanol and biohydrogen. However, the accessibility of cellulose and the enzyme activity are greatly reduced in the presence of lignin. This significantly increases the enzyme cost in the saccharification, which hampers industrial production of lignocellulosic biofuels. In this study, a laccase treatment system mediated by 1-hydroxybenzotriazole was employed to modify and degrade lignin to enhance subsequent enzymatic saccharification of wheat straw. A kinetic model considering enzyme adsorption on lignin was proposed to estimate the saccharification performance.ResultsFourier transform infrared spectroscopy (FTIR) analyses showed that the peak intensity of lignin structure characteristics significantly changed after laccase-mediated system (LMS) treatment. 2D-nuclear magnetic resonance (NMR) analyses indicated that the aromatic ether bonds were cleaved and that guaiacyl (G) was oxidized after LMS treatment. X-ray diffraction (XRD) analyses suggested that the crystallinity of lignocellulose increased due to the partial degradation of lignin. As a result, the nonproductive adsorption of the enzyme on lignin was reduced by 28%, while the reducing sugar yield increased by 26%. A semi-empirical kinetic model was used to estimate the reducing sugar yield, the initial hydrolysis rate (KM) and deactivation rate coefficient (α) of LMS-pretreated wheat straw were 0.157 (h−1) and 0.214 (h−1), respectively. The model showed high accuracy (predicting error < 10%) for describing the behavior of laccase-treated wheat straw hydrolysis when the solid loading is < 5%.ConclusionsThe adsorption ability of the enzyme to lignin was reduced after LMS pretreatment. Physicochemical analyses showed that the chemical groups of lignin and lignocellulose were changed, with the crystallinity of the lignocellulose increasing after LMS treatment. A semi-empirical kinetic model was proposed to estimate the reducing sugar yield, which showed high accuracy for predicting the hydrolysis performance of laccase-treated wheat straw.

Effects of hydraulic retention time on process performance of anaerobic side-stream reactor coupled membrane bioreactors: Kinetic model, sludge reduction mechanism and microbial community structures

An anoxic/oxic membrane bioreactor (AO-MBR) and three anaerobic side-stream reactor (ASSR) coupled MBRs (ASSR-MBR) were operated to investigate the effects of hydraulic retention time of ASSR (HRTA) and to elucidate sludge reduction mechanisms in ASSR-MBRs. Increasing HRTA from 3.3 to 6.6 h improved nitrogen removal, and enhanced sludge reduction from 8.0% to 40.9% in ASSR-MBR. The sludge decay coefficient was 0.0221 d−1 in MBRs, and 0.0231–0.0345 d−1 in ASSRs. The measured lysis rate coefficient of heterotrophic biomass was 0.083–0.112 d−1 in MBRs and 0.079–0.111 d−1 in ASSRs. The hydrolysis rate coefficient of inactive particulate organic matters (POMs) in ASSRs significantly exceeded that in the MBR. At HRTA of 6.6 h, POMs hydrolysis in ASSR (38.6%) is the dominant route of sludge reduction, and cell lysis occurred principally in aerobic tanks. Illumina-MiSeq sequencing showed ASSR-MBRs enriched hydrolytic and fermentative bacteria, and confirmed that anaerobic hydrolysis contributed most to sludge reduction.

ADM1 modelling of large-scale covered in-ground anaerobic reactor treating sugarcane vinasse.

In this paper, we demonstrate in a clear procedure the application of the Anaerobic Digestion Model No. 1 (ADM1) to model a large-scale covered in-ground anaerobic reactor (Cigar), processing sugarcane vinasse from a biorefinery in Brazil. The biochemical make-up (carbohydrates, proteins, and lipids) of the substrate was analysed based on the food industry standards. Two distinct subsets of data, based on the sugarcane harvest season for bioethanol and sugar production in 2012 and 2014, were used to direct and cross validate the model, respectively. We fitted measured data by estimating two key parameters against biogas flow rate: the degradation extent (fd) and the first order hydrolysis rate coefficient (khyd). By cross validation we show that the fitted model can be generalised to represent the behaviour of the reactor under study. Therefore, motivated by practical and industrial application of ADM1, for both different reactors types and substrates, we show aspects on the implementation of ADM1 to a specific large-scale reactor for anaerobic digestion of sugarcane vinasse.

Anaerobic co-digestion of commercial food waste and dairy manure: Characterizing biochemical parameters and synergistic effects

Anaerobic digestion of commercial food waste is a promising alternative to landfilling commercial food waste. This study characterized 11 types of commercial food wastes and 12 co-digestion blends. Bio-methane potential, biodegradable fraction, and apparent first-order hydrolysis rate coefficients were reported based upon biochemical methane potential (BMP) assays. Food waste bio-methane potentials ranged from 165 to 496 mL CH4/g VS. Substrates high in lipids or readily degradable carbohydrates showed the highest methane production. Average bio-methane potential observed for co-digested substrates was −5% to +20% that of the bio-methane potential of the individual substrates weighted by VS content. Apparent hydrolysis rate coefficients ranged from 0.19d−1 to 0.65d−1. Co-digested substrates showed an accelerated apparent hydrolysis rate relative to the weighted average of individual substrate rates. These results provide a database of key bio-digestion parameters to advance modeling and utilization of commercial food waste in anaerobic digestion.

Molecular structure and enzymatic hydrolysis properties of starches from high-amylose maize inbred lines and their hybrids

High-amylose maize starch has health benefits and special industrial uses. In this study, starches were isolated from normal maize and high-amylose inbred and hybrid maizes. Their molecular structure and enzymatic hydrolysis properties were investigated and analyzed. The high-amylose hybrid maize starch contained lower amylose, intermediate component, amylopectin long branch-chains, and amylopectin average chain length, and higher amylopectin short branch-chains than did high-amylose inbred maize starch. High-amylose maize starch was more resistant to α-amylase and amyloglucocidase hydrolysis and had a significantly lower hydrolysis rate coefficient than normal maize starch did. The native, gelatinized and retrograded starches of the high-amylose hybrid maize had significantly higher rapidly digestible starch and lower resistant starch than those of the high-amylose inbred maize. The retrogradation of gelatinized starch markedly increased the resistance of high-amylose starch to in vitro digestion. The high contents of amylose and intermediate component and the long branch-chains of amylopectin increased the resistance of maize starch to enzymatic hydrolysis and in vitro digestion.

The role of autocatalysis on the chemical diversity of the prebiotic ocean of early Earth

AbstractThe spontaneous formation of catalytic polypeptides of various lengths in a primordial ocean endowed with a source of amino acids from micrometeorites was investigated and found to be sufficient to induce the transformation of potential substrates under the assumption of a high propensity of the environment to catalyse the formation of the peptide bond. This work aims to include in this picture the effect of autocatalysis, i.e. the ability of a polypeptide with a specific length to promote the formation of the peptide bond. Once the formation of an autocatalytic species is attained, the concentrations of the polypeptides, substrates and products of reaction exhibit a time-dependent rate of formation and undergo a catastrophic change. While in the absence of autocatalysis the concentrations of polypeptides are stationary and the formation of reaction products is limited by the proper frequency λ, autocatalysis induces a steady growth of the concentrations of polypeptides and a 100 − 105-fold increase of reaction products at t = ω−1&lt;0.46 Gyr, with a subsequent linear growth in time according to the law u/z0 = 1+s(ω−1+t)/z0, provided the autocatalytic species be active with length fewer than 70 amino acid units. A relationship was found between the catalytic ability of the environment (expressed by the ratio η/ηh of the rate coefficient for peptide bond formation to the corresponding rate coefficient for hydrolysis) and the time of the sharp increase of the concentration of both the polypeptides and their products of transformation. Although the formation of autocatalytic polypeptides is able to rapidly induce a sharp increase in the concentration of both polypeptides and their products of transformation, the crucial formation of the first autocatalytic polypeptides relies on the ability of the environment to promote the formation of the peptide bond. The value of the ratio η/ηh, constrained by the available time for chemical evolution to values bordering the catalytic activity of present-day enzymes, suggests that the correlation between the presence of water and the formation of a complex chemistry should be taken with caution.

Parameter estimation and long-term process simulation of a biogas reactor operated under trace elements limitation

The Anaerobic Digestion Model No. 1 (ADM1) was modified to describe the long-term process stability of a two-stage agricultural biogas system operated for 494days with a mono-substrate. The ADM1 model fraction for carbohydrates was divided into a slowly and readily degradable part. Significant different hydrolysis rate constants were found for proteins and single fractions of carbohydrates in batch experiments. Degradation of starch, xylan (hemicellulose), cellulose and zein (protein) were modeled with first order hydrolysis rate coefficients of 1.20d−1, 0.70d−1, 0.18d−1 and 0.30d−1, respectively. While the hydrolysis rate coefficients found in batch experiments could be used for predicting continuous process data, the statistically calculated confidence regions (nonlinear parameter estimation) showed that the upper limits were unbounded. Single discrepancies between measured and modeled process data of the two-stage pilot system could be explained by the lack of bioavailability of trace elements. Addition of iron, as Fe(III)Cl3, allowed stable process conditions for an organic loading rate (OLR) up to 2.5gVSL−1d−1. Additional supplement of trace elements was necessary for process operation at OLRs above 2.5gVSL−1d−1.

Biochemical Methane Potential of Beef Feedlot Manure: Impact of Manure Age and Storage

Methane capture and use from intensive livestock industries is relatively new, and there is limited chemical and kinetic degradation information available for beef feedlot manure in Australia or internationally. This paper evaluates the biochemical methane (CH) potential, apparent first-order hydrolysis rate coefficient, and losses in organic content of manure as it ages on feedlot pads and in stockpiles. Chemical characterization of fresh, pad, and stockpiled manure is assessed. Biochemical CH potential on volatile solids (VS) almost always decreased significantly from fresh to pad and from pad to stockpile, ranging (in mL CH g VS) from 230 to 360 in fresh manure, from 70 to 280 in pads, and from 60 to 200 in stockpiles. Kinetics of degradation also varied with manure age (fresh: 0.12 ± 0.01 d; pad: 0.06 ± 0.02 d; and stockpiled: 0.05 ± 0.04 d). At least 50%, and up to 80%, of the original biochemical CH potential of the manure (i.e., degradable material) was lost on drying in pads, and the loss after stockpiling was much greater (>85%). The loss of N was 15 to 60% as manure dried on pads and was much greater after stockpiling (40-90%). Phosphorus loss, though lower than nitrogenous losses, was still significant (25-65% on pads and 35-85% in stockpiles). Although digestion of stockpiled manure is still feasible to generate energy, collection of fresh manure is important to maximize outcomes, with a possible order of magnitude increase in CH production achievable.

Effect of octenylsuccinic anhydride modification on β-amylolysis of starch

The effects of octenylsuccinic anhydride (OSA) modification of waxy maize and sorghum starches on subsequent β-amylolysis are examined. Hydrolysis with β-amylase is a method by which OSA starches may be structurally modified for industrial purposes. The hydrolysis of both granular and gelatinised forms of both starches follows first-order kinetics regardless of the OSA used as a percent of starch mass (0–24%). The highest hydrolysis rate coefficients for granular starches are at modification with 6% OSA/starch. The largest molecular sizes of β-amylase hydrolysed OSA-modified gelatinised starches are found at modification with 24% OSA/starch. The results suggest that octenylsuccinyl groups have an action-blocking effect on β-amylolysis of gelatinised starch, but the effect of semi-crystalline granular structure is more pronounced than that of OSA modification. Hence β-amylolysis can be used under appropriate conditions to modify the structure of gelatinised OSA-modified starches.

U(VI) Bioreduction with Emulsified Vegetable Oil as the Electron Donor – Model Application to a Field Test

We amended a shallow fast-flowing uranium (U) contaminated aquifer with emulsified vegetable oil (EVO) and subsequently monitored the biogeochemical responses for over a year. Using a biogeochemical model developed in a companion article (Tang et al., Environ. Sci. Technol.2013, doi: 10.1021/es304641b) based on microcosm tests, we simulated geochemical and microbial dynamics in the field test during and after the 2-h EVO injection. When the lab-determined parameters were applied in the field-scale simulation, the estimated rate coefficient for EVO hydrolysis in the field was about 1 order of magnitude greater than that in the microcosms. Model results suggested that precipitation of long-chain fatty acids, produced from EVO hydrolysis, with Ca in the aquifer created a secondary long-term electron donor source. The model predicted substantial accumulation of denitrifying and sulfate-reducing bacteria, and U(IV) precipitates. The accumulation was greatest near the injection wells and along the lateral boundaries of the treatment zone where electron donors mixed with electron acceptors in the groundwater. While electron acceptors such as sulfate were generally considered to compete with U(VI) for electrons, this work highlighted their role in providing electron acceptors for microorganisms to degrade complex substrates thereby enhancing U(VI) reduction and immobilization.

The role of catalysis on the formation of an active proto-enzyme in the prebiotic aqueous environment

A model detailing the conditions for the formation of active enzymes from amino acid monomers in the pre-biotic aqueous environment is proposed, making use of only a minimal number of parameters: the intensity of the amino acid source and the experimental rate coefficient for polypeptide hydrolysis. In a closed system with fixed total amino acid concentration, the formation of polypeptides of significant length is precluded by hydrolysis. In the presence of an amino acid source, the behavior of the steady state solutions is dependent on the efficiency of the catalytic activity in the environment. In absence of catalysis the formation of long amino acid chains shows a remarkable similarity to the equilibrium problem, i.e. it is equally unlikely that an active protein forms. In the presence of catalysis the concentration of polypeptides of significant length increases dramatically to about the same order of magnitude as the steady state concentration of the monomers. Besides the important notion of the proto-enzyme concentration, the model offers a link between the given environmental conditions (flux of monomers, rates of the peptide bond formation and hydrolysis, size of the amino acid set) and properties of the polypeptide relevant to its catalytic properties, such as its length and conserved number of residues.

Anaerobic digestion of swine effluent: Impact of production stages

Methane capture and use from intensive livestock industries in Australia is relatively new and there is a lack of reliable kinetic data to design anaerobic systems both in Australia and internationally. This paper evaluates two parameters, degradability (BO) and apparent first order hydrolysis rate coefficient (khyd) from 5 different sites (one sampled twice), and six different pig growth stages. Hydrolysis rate was not significantly influenced by the production stage and was statistically similar at 0.1 d−1 and ranged from 0.06 d−1 to 0.3 d−1. However, degradability, as defined by estimated ultimate methane yield (referenced to standard temperature and pressure) per kg organics loaded varied substantially. Specifically, we found that the methane yields (per unit organic substrate (volatile solids) added) from finisher (470 ± 170 L kg−1), weaner (450 ± 150 L kg−1) and grower (460 ± 160 L kg−1) effluent streams were more compared to yields from dry sow (260 ± 120 L kg−1) and farrowing streams (380 ± 160 L kg−1). A possible indicator of the extent of degradation is the organic fraction of solids in the effluent. Variability in the degradation kinetics and chemical properties of the different effluent streams could be traced back to the differences in various industry management practices such as feed type, feeding techniques and effluent handling methods.

Modeling the Influence of Particulate Protein Size on Hydrolysis in Anaerobic Digestion

Batch experiments were performed to investigate the effect of particulate protein size on the hydrolysis of casein in anaerobic degradation. Whereas particle size did not affect the ultimate protein degradation efficiency, the hydrolysis rate coefficient increased from 0.034 to 0.298 day–1 with a change in specific surface area from 0.01 to 0.192 m2/g. The maximum rate of methane production increased from 6 to 14 mL of CH4 per gram of COD added per day with the same change in specific surface area, although the ultimate volume of methane produced was approximately the same despite the change in specific surface area. A mathematical relationship between the hydrolysis rate coefficient and the specific surface area was developed, and a new hydrolysis equation was proposed and verified.

Chloramination of organophosphorus pesticides found in drinking water sources

The degradation of commonly detected organophosphorus (OP) pesticides, in drinking water sources, was investigated under simulated chloramination conditions. Due to monochloramine autodecomposition, it is difficult to observe the direct reaction of monochloramine with each OP pesticide. Therefore, a model was developed to examine the reaction of monochloramine (NH 2Cl) and dichloramine (NHCl 2) with chlorpyrifos (CP), diazinon (DZ), and malathion (MA). Monochloramine was found not to be very reactive with each OP pesticides, k NH 2 Cl,OP = 11 – 21 M − 1 h − 1 . While, dichloramine (NHCl 2) was found to be 2 orders of magnitude more reactive with each of the OP pesticides than monochloramine, k NHCl 2 ,OP = 2000 – 2900 M − 1 h − 1 , which is still three orders of magnitude less than the hypochlorous acid reaction rate coefficient with each OP pesticide. For each pesticide, the reactivity of the three chlorinated oxidants was then found to correlate with half-wave potentials ( E 1/2) of each oxidant. With reaction rate coefficients for the three chlorinated oxidations as well as neutral and alkaline hydrolysis rate coefficients for the pesticides, the model was used to determine the dominant reaction pathways as a function of pH. At pH 6.5, OP pesticide transformation was mostly due to the reaction of hypochlorous acid and dichloramine. Above pH 8, alkaline hydrolysis or the direct reaction with monochloramine was the primary degradation pathway responsible for the transformation of OP pesticides. This demonstrates the ability of models to be used as tools to elucidate degradation pathways and parameterize critical reaction parameters when used with select yet comprehensive data sets.

Electrolytic Redox and Electrochemical Generated Alkaline Hydrolysis of Hexahydro-1,3,5-trinitro-1,3,5 triazine (RDX) in Sand Columns

Sand-packed horizontal flow columns (5 cm i.d. x 65 cm)l were used in laboratory experiments to simulate in situ electrolytic and alkaline hybrid treatment zone for aqueous phase decomposition of RDX. An upgradient cathode and downgradient anode, spaced 35 cm apart were used to create alkaline reducing conditions followed by oxic, acidic conditions to degrade RDX by combination of alkaline hydrolysis and direct electrolysis. A preliminary experiment (25 mg/L RDX influent) with seepage velocity of 30.5 cm/day and current density of 9.9 A/m2 was used to determine the treatment feasibility and the aqueous products of RDX decomposition. Three additional column experiments (0.5 mg/L RDX influent) under the same conditions as the preliminary column were used to observe the treatment process repeatability and the alkaline treatment zone development. The results demonstrated approximately 95% decomposition of RDX in the column with an applied current density of 9.9 A/m2. Aqueous end-products formate, nitrite, and nitrate were detected in the effluent. Approximately 75% of the RDX was destroyed near the cathode, presumably by electrolysis, with 23% decomposed downstream of the cathode by alkaline hydrolysis. The preliminary column pseudo first order alkaline hydrolysis rate coefficient of 10.7 x 10(-3) min(-1) was used to estimate a treatment zone length less than 100 cm for RDX treatment below the EPA drinking water lifetime health advisory of 0.002 mg/L.

Reactive uptake coefficients for N2O5 determined from aircraft measurements during the Second Texas Air Quality Study: Comparison to current model parameterizations

This paper presents determinations of reactive uptake coefficients for N2O5, γ(N2O5), on aerosols from nighttime aircraft measurements of ozone, nitrogen oxides, and aerosol surface area on the NOAA P‐3 during Second Texas Air Quality Study (TexAQS II). Determinations based on both the steady state approximation for NO3 and N2O5 and a plume modeling approach yielded γ(N2O5) substantially smaller than current parameterizations used for atmospheric modeling and generally in the range 0.5–6 × 10−3. Dependence of γ(N2O5) on variables such as relative humidity and aerosol composition was not apparent in the determinations, although there was considerable scatter in the data. Determinations were also inconsistent with current parameterizations of the rate coefficient for homogenous hydrolysis of N2O5 by water vapor, which may be as much as a factor of 10 too large. Nocturnal halogen activation via conversion of N2O5 to ClNO2 on chloride aerosol was not determinable from these data, although limits based on laboratory parameterizations and maximum nonrefractory aerosol chloride content showed that this chemistry could have been comparable to direct production of HNO3 in some cases.

Transformation of Organophosphorus Pesticides in the Presence of Aqueous Chlorine: Kinetics, Pathways, and Structure−Activity Relationships

The fate of organophosphorus (OP) pesticides in the presence of aqueous chlorine was investigated under simulated drinking water treatment conditions. Intrinsic rate coefficients were found for the reaction of hypochlorous acid (k(HOCl,OP)) and hypochlorite ion (k(OCl,OP) for several OP pesticides. The reaction of hypochlorous acid (HOCl) with each OP pesticide was relatively rapid near neutral pH, k(HOCl,OP) = 0.86 - 3.56 x 10(6) M(-1)h(-1). HOCI reacts at the thiophosphate (P = S) moiety of the OP pesticide resulting in the formation of the corresponding oxon (P=0), which is more toxic than the parent pesticide. Hypochlorite ion (OCl-) was found not to oxidize OP pesticides but act like a nucleophile accelerating hydrolysis, k(OCl,OP) = 37.3-15910 M(-1)h(-1). Both the k(HOCl,OP) and the k(OCl,OP) were found to correlate well with molecular descriptors within each subgroup of the OP pesticide class. A model was developed to predict the transformation of OP pesticides in the presence of aqueous chlorine. With hydrolysis rate coefficients, the transformation of OP pesticides under drinking water treatment conditions was found to be adequately predicted. The structure-activity relationships and model developed here could be used by risk assessors to determine exposure to OP pesticides and their transformation products in potable water.