bluuebunny/crossref_metadata_2025_split huggingface dataset:
A preliminary MTD‐PLS study for androgen receptor binding of steroid compounds
Authors: Bora Alina , Seclaman E. , Kurunczi L. , Funar‐Timofei Simona 
Published: February 2007

AbstractThe relative binding affinities (RBA) of a series of 30 steroids for Human Androgen Receptor (AR) were used to initiate a MTD‐PLS study. The 3D structures of all the compounds were obtained through geometry optimization in the framework of AM1 semiempirical quantum chemical method. The MTD hypermolecule (HM) was constructed, superposing these structures on the AR‐bonded dihydrotestosterone (DHT) skeleton obtained from PDB (AR complex, ID 1I37). The parameters characterizing the HM vertices were collected using: AM1 charges, XlogP fragmental values, calculated fragmental polarizabilities (from refractivities), volumes, and H‐bond parameters (Raevsky's thermodynamic originated scale). The resulted QSAR data matrix was submitted to PCA (Principal Component Analysis) and PLS (Projections in Latent Structures) procedure (SIMCA P 9.0); five compounds were selected as test set, and the remaining 25 molecules were used as training set. In the PLS procedure supplementary chemical information was introduced, i.e. the steric effect was always considered detrimental, and the hydrophobic and van der Waals interactions were imposed to be beneficial. The initial PLS model using the entire training set has the following characteristics: R2Y = 0.584, Q2 = 0.344. Based on distances to the model criterions (DMODX and DMODY), five compounds were eliminated and the obtained final model had the following characteristics: R2Y = 0.891, Q2 = 0.591. For this the external predictivity on the test set was unsatisfactory. A tentative explanation for these behaviors is the weak information content of the input QSAR matrix for the present series comparatively with other successful MTD‐PLS modeling published elsewhere. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Porous graphitic carbon chromatography/tandem mass spectrometric determination of cytarabine in mouse plasma
Authors: Hsieh Yunsheng , Duncan Christine J.G. , Brisson Jean‐Marc 
Published: February 2007

AbstractA high‐performance liquid chromatography (HPLC) system using a porous graphitic carbon (PGC) stationary phase interfaced with an electrospray ionization (ESI) source and a tandem mass spectrometer (MS/MS) for the analysis of cytarabine (ara‐C) in mouse plasma samples has been developed in support of a pharmacodynamic study. The graphitized carbon column was adopted for the separation of ara‐C and endogenous peaks from mouse plasma samples under the reversed‐phase phase mode in liquid chromatography. The retention characteristics of the PGC column and the ionization efficiencies of all analytes based on the experimental factors such as the composition of mobile phases were investigated. The potential of ionization suppression resulting from the endogenous biological matrices on the PGC column during HPLC/ESI‐MS/MS was investigated using post‐column infusion. The concentrations of ara‐C in mouse plasma obtained by using PGC‐HPLC/MS/MS and ion‐pairing HPLC/MS/MS were found to be in good agreement in terms of analytical accuracy. © 2007 John Wiley & Sons, Ltd.
Ruggedness testing of quantitative atmospheric pressure ionization mass spectrometry methods: the effect of co‐injected matrix on matrix effects
Authors: Heller David N. 
Published: February 2007

AbstractA number of techniques have been suggested to date for assessing matrix effects on quantitative atmospheric pressure ionization mass spectrometry (API‐LC/MS) methods. A newly designed experiment has the aim of efficiently simulating the quantitative behavior of an LC/MS method as a function of the amount of co‐injected matrix extract. Two sets of mixtures were prepared in different formats to study matrix effects as a function of analyte or matrix amount. Chromatographic conditions were varied as well, to alter the separation between analyte and co‐extractants, and thereby provide different matrix effect conditions for testing the same mixtures. Graphical presentation of the results was used to gain insight into the matrix effect phenomenon. The results suggest that ruggedness for API‐LC/MS methods may be defined as the absence of significant variation in results as a function of the amount of co‐injected matrix. That is, a non‐rugged API‐LC/MS method may give consistent results only if a fixed amount of matrix is co‐injected on a specific instrument. The results also point to the existence of a specific matrix concentration for the onset of matrix effects, below which these effects are not significant. These issues are important to the US FDA Center for Veterinary Medicine, which has regulatory authority for methods used to monitor for drug residues in food tissues from animals. The ruggedness testing technique suggested here may be an important factor in determining that a method is ready for multi‐laboratory testing on multiple instruments. Published in 2007 by John Wiley & Sons, Ltd.
Simultaneous quantification of acylcarnitine isomers containing dicarboxylic acylcarnitines in human serum and urine by high‐performance liquid chromatography/electrospray ionization tandem mass spectrometry
Authors: Maeda Yasuhiro , Ito Tetsuya , Suzuki Atsuko , Kurono Yukihisa , Ueta Akihito , Yokoi Kyoko , Sumi Satoshi , Togari Hajime , Sugiyama Naruji 
Published: February 2007

AbstractTandem mass spectrometry (MS/MS) has become a prominent method for screening newborns for diseases such as organic acidemia and fatty acid oxidation defects, although current methods cannot separate acylcarnitine isomers. Accurate determination of dicarboxylic acylcarnitines such as methylmalonylcarnitine and glutarylcarnitine has not been carried out, because obtaining standards of these acylcarnitines is difficult. We attempted the individual determinations of acylcarnitines with isomers and dicarboxylic acylcarnitines by applying high‐performance liquid chromatography (HPLC). Chromatographic separation was performed by gradient elution using a mixture of 0.08% aqueous ion‐pairing agent and acetonitrile as the mobile phase. Mass transitions of m/z 161.8→84.8 for carnitine and m/z 164.8→84.8 for deuterated carnitine were monitored in positive ion electrospray ionization mode. One carnitine and 16 acylcarnitines were quantified. The limit of quantitation (LOQ) was 0.1 µmol/L for methylmalonylcarnitine and 0.05 µmol/L for the other acylcarnitines. Intra‐day and inter‐day coefficients of variance (CVs) were <8.3% and <8.8%, respectively, for all acylcarnitines in serum, and both were <9.2% in urine. Mean recoveries were >90% for all acylcarnitines. Human samples were quantified by this method. After addition of deuterated acylcarnitines as internal standards, acylcarnitines in serum or urine were extracted using a solid‐phase extraction cartridge. In healthy adult individuals, isobutyryl‐, 2‐methylbutyryl‐ and isovalerylcarnitine were detected in serum and urine. Dicarboxylic acylcarnitines were detected in urine. High concentrations of methylmalonylcarnitine and propionylcarnitine were found in both the serum and the urine of a patient with methylmalonic acidemia. The described HPLC/MS/MS method could separate most acylcarnitine isomers and quantify them, potentially allowing detailed diagnoses and follow‐up treatment for those diseases. © 2007 John Wiley & Sons, Ltd.
Interim pump‐and‐treat remediation of a hydrocarbon‐contaminated aquifer
Authors: Johnson Robert E. 
Published: February 2007

AbstractThe continuous and discontinuous release of petroleum hydrocarbons from an oil refinery in Alaska resulted in the contamination of an unconfined glacial outwash aquifer. Geologic conditions at the site allowed for the vertical migration of hydrocarbon product to the water table and subsequent formation of an areally extensive floating product layer. Since the petroleum hydrocarbon phase would provide a major source of BTX (benzene, toluene, xylene) contamination to the groundwater, interim product and groundwater recovery measures were initiated to limit aquifer degradation. Phase I remedial activities involved the operation of nine well pairs, with one well used for groundwater extraction and the other for product recovery. Phases II and III involved expansion of the recovery well network and use of a two‐pump system. Petroleum product recovered was reprocessed at the refinery. Contaminated groundwater was initially treated using the refinery's wastewater treatment system, but treatment inefficiencies and continued system expansion necessitated use of a separate treatment unit. Performance evaluations indicate that the remedial phases have been successful in halting further contaminant migration and in recovering a significant volume of the released petroleum hydrocarbons.
Fluidized bed PCB incineration in Alaska
Authors: Diot Harold R. , Young Derrell T. 
Published: February 2007

AbstractOgden Environmental Services Inc. (OES) is operating a PCB incineration project on the Kenai Peninsula, Alaska. The facility is approximately 150 miles from Anchorage, Alaska, on a U.S. Fish and Wildlife Service refuge and recreation area. Before attaining its current status, the area was an oil field; pipelines and compressor stations are still in the area. Ogden's facilities are located adjacent to an operating compressor station in an area transected by pipelines. The site became contaminated with PCBs as an indirect result of a compressor explosion in 1972. In March 1988 OES contracted to remediate the site using its proprietary transportable Circulating Bed Combustor (CBC), an advanced technology fluidized bed incinerator.The project will thermally treat more than 80,000 tons of PCB‐contaminated soil. Treated soil (ash) contains less than 0.1 ppm PCB and is permanently placed on site. Ogden designed, constructed, permitted, conducted trial burns, and made fully operational this major facility on the remote Kenai Peninsula of Alaska. All systems were designed to withstand the rigors of shipping and to be highly reliable in cold weather and remote‐site operations.
New paradigms for hazardous waste engineering
Authors: Wallace William A. 
Published: February 2007

AbstractToday's hazardous waste engineering practice is based on the premise that the current technologies for conducting hazardous waste remediation are sufficient to solve most problems. The premise is false: Except for simple sites, the current practice cannot deliver answers with the required accuracy and precision. This article describes the huge uncertainties present in complex hazardous waste remediation efforts. It also discusses the “observational” method, which originated in the geotechnical engineering field, as a means of coping with these uncertainties during site characterization and remediation. The article includes case‐study examples illustrating the use of the observational method at hazardous waste sites.
Managing petroleum refining wastes by thermal desorption
Authors: McCabe Mark M. , Wilkins James , Cunningham Robert 
Published: February 2007

AbstractThe U.S. Environmental Protection Agency has developed regulations under the Hazardous and Solid Waste Amendments (HSWA) of 1984 to restrict the land disposal of hazardous wastes. As a result of the regulations, all hazardous wastes to be placed on the land must meet treatment standards based on the performance of the best demonstrated available technology (BDAT) identified for individual waste classifications.The Marathon Oil Company is currently evaluating innovative technologies for managing listed waste materials, with a focus on waste minimization and recycling. Remediation Technologies, Inc. (ReTeC) has conducted testing on wastewater treatment sludges from three Marathon refineries using a proprietary thermal desorption technology. The results from these tests have demonstrated that the technology has the ability to consistently meet BDAT treatment standards, while preferentially separating and condensing residual moisture and oils from the material.
Semivolatile organic decay rates in pilot‐scale solid‐ and slurry‐phase bioreactors
Authors: Yare Bruce S. 
Published: February 2007

AbstractA variety of process byproducts and residues were reclaimed at the Brio Refining Superfund site, an abandoned jet fuel refinery located near Houston, Texas. Among the operations that took place at the site were regeneration of acrylonitrile synthesis catalysts, styrene reprocessing still bottoms to recover ethylbenzene, and the attempted reclamation of 1,2‐dichloroethane from vinyl chloride process residues. Incoming process byproducts and residues were stored in unlined impoundments before reclamation, until the Texas Air Control Board had the impoundments closed under court order in 1979. After the pits were closed, two pilot‐scale bioremediation demonstrations were performed on the backfilled impoundments. The results of these studies indicated that bioremediation of the organic residues and affected soils at the site was included as an acceptable treatment technology in the Record of Decision. This article compares the degradation rates achieved by the two different biological treatment processes used to treat the organic material in the impoundments.
Can in situ vitrification seal arsenic/mercury sludges into a delisted glass monolith?
Authors: Jacobson Linda S. , Mears Connally E. 
Published: February 2007

AbstractThe U.S. Environmental Protection Agency helped select in situ vitrification (ISV) as an interim response action for the National Priority List (NPL) site at the Rocky Mountain Arsenal (RMA) in Commerce City, Colorado. That decision is being reviewed, pending redesign of the technology by its vendor for what would be the largest ISV project in the United States, involving 220 tons of arsenic, twenty‐six tons of mercury, and low levels of organic compounds. That material was left in three arsenic precipitation basins that were used from 1942 to 1947 to manufacture chemical warfare agents and later backfilled. This article explores the eight principal environmental, technical, and financial factors that EPA's Region VII must address before committing $1,200 per cubic yard, or $14 million, to seal that material in glass.
Expert software that matches remediation site and strategy
Authors: Pennock Kelly A. , Bohn Shawn J. , White Michael K. 
Published: February 2007

AbstractExpert software‐based decision support is speeding the process of defining environmental hazards and identifying remedial responses for the U.S. Department of Energy's (DOE) hazardous waste cleanup projects throughout the United States. Pacific Northwest Laboratories' (PNL) Remedial Action Assessment System (RAAS), and associated Technology Information System (TIS), written for Macintosh computers (soon for PC‐compatible computers), sort through an encyclopedic data base to help environmental engineers prepare the most appropriate remedial strategy. The system has been available to DOE and other U.S. government engineers since last year and will soon be commercially available.
Let biodegradation promote in‐situ soil venting
Authors: Newman William A. , Martinson Michael M. 
Published: February 2007

AbstractAlthough vapor extraction systems (VES) certainly help remediate volatile hydrocarbons (e.g., gasoline in unsaturated soils), recent studies have found that much of the related hydrocarbon removal is due to aerobic biodegradation, not simple volatilization. In many cases, more than 50 percent of the hydrocarbon removal by these systems is due to biodegradation. By emphasizing biodegradation and minimizing volatilization, the costs of system operation can be reduced, especially for off‐gas treatment. Maximizing biodegradation also supports more efficient site remediation because not only are the volatile hydrocarbons cleaned up, but the less volatile contaminants are also cleaned up—by biodegradation. More complete site cleanups are possible through bioventing, especially when cleanup criteria are related to total petroleum hydrocarbons. This article explores the major environmental conditions that influence biodegradation, analyzes several bioventing case histories, and calculates biodegradation's remedial costs.
Integrated bioremediation of soil and groundwater at a superfund site
Authors: Piotrowski Michael R. , Doyle J. Robert , Carraway James W. 
Published: February 2007

AbstractThe soil and two aquifers under an active lumber mill in Libby, Montana, had been contaminated from 1946 to 1969 by uncontrolled releases of creosote and pentachlorophenol (PCP). In 1983, because the contaminated surface soil and the shallower aquifer posed immediate risks to human health and the natural environment, the U.S. Environmental Protection Agency placed the site on its National Priorities List. Feasibility studies in 1987 and 1988 determined that in situ bioremediation would help clean up this aquifer and that biological treatment would help clean up the contaminated soils. This article outlines the studies that led to a 1988 EPA record of decision and details the EPA‐approved remedial plan implemented starting in 1989; EPA estimates a total cost of about $15 million (in 1988 dollars). The plan involves extensive excavation and biological treatment of shallow contaminated soils in two lined and bermed land treatment units, extraction of heavily contaminated groundwater, an aboveground bioreactor treatment system, and injection of oxygenated water to the contaminant source area, as well as to other on‐site areas affected by the shallower aquifer's contaminant plume.
How shell cleaned up a 400,000‐gallon oil spill
Authors: Fischel Marion , Fraser John P. , Winfield Ted P. 
Published: February 2007

AbstractOn April 23, 1988, approximately 9,500 barrels (400,000 gallons) of San Joaquin Valley crude oil leaked from an aboveground storage tank at Shell Oil Company's Martinez Manufacturing Complex in Martinez, California and entered Suisun Bay, an important recreation area. This article describes the remediation techniques Shell used to protect and clean up the Bay's oiled marshes, sloughs, rocky shores, marinas, and sandy beaches, and discusses the main methods of oil spill response, site‐specific factors that must be considered in choosing remediation techniques, the interaction between Shell and government agencies, and the costs associated with the spill. The cleanup's total cost was approximately $8.3 million, which did not include private claims and claims handling costs; Shell also signed a separate consent decree for $19.75 million with the state of California and the federal government. This spill and its aftermath emphasize the need for preparation that facilitates response actions, improves the chances for cooperation between responsible parties and government agencies, minimizes the time needed for remediation, lowers cleanup costs, and limits natural resource damage claims and penalties.
Hydrogen peroxide for physicochemically degrading petroleum‐contaminated soils
Authors: Watts Richard J. 
Published: February 2007

AbstractCatalyzed hydrogen peroxide was applied to contaminated soil at an equipment storage yard in Reno, Nevada, that had also been used as a dump for motor oil and diesel fuel for twenty years. The site is only a quarter mile from the Truckee River—a principal source of Reno's drinking water. This article details hydrogen peroxide's advantages, disadvantages, costs, and treatment for reducing to below the 100 mg/kg Nevada action level the petroleum hydrocarbons in the yard's arid soil, which is characterized by low organic carbon content and low manganese oxide content.
Pure oxygen‐enhanced biodegradation for contaminated groundwater
Authors: Quinlan Barbara J. , Korreck William M. , Armstrong John M. 
Published: February 2007

AbstractOn‐site oxygen generation was chosen as the most effective and efficient source of pure oxygen for enhancing biodegradation at a hydrocarbon‐contaminated oil and gas well site in northern Michigan. Contaminants include benzene, toluene, ethylbenzene, and xylenes released through natural gas dehydration practices that were halted in 1985. Free product and contaminated soil were completely removed from the source area in spring 1989, leaving only the groundwater plume for further remediation. This article discusses the project's two phases—a purge and treat system and the pure‐oxygen bioremediation system—each costing $75,000. It also details the combined system's technical elements (including purge and monitoring wells, oxygen generator, and drainfield), and cleanup results (including how pure oxygen has helped destroy contaminants, not merely move them to other media).
How chemically stable is stabilized hazardous waste?
Authors: Peterson Spencer A. , Barich John J. , Greene Joe C. 
Published: February 2007

AbstractBioassays can provide meaningful information about the relative toxicity of remediated soil samples, revealing the unwelcome toxic side effects produced by some cleanup projects. Section 121 of CERCLA's 1986 amendments calls for hazardous waste site remediations to permanently and significantly reduce the volume, toxicity, and mobility of hazardous substances, pollutants, and contaminants. Traditional engineering technology has focused on reducing volume and mobility, assuming that such reduction would lead to reductions in toxicity. Environmental scientists have argued, however, that such reductions are not always the result, but lack of consensus on how hazardous waste mixtures should be measured toxicologically has slowed development of integrated assessments. The aquatic and terrestrial bioassays discussed in this article are evaluated for various chemicals, mixtures of chemicals, and actual waste site chemical mixtures at a Superfund mobility reduction project in Kent, Washington. Results suggest that although remediation accomplished the primary objective of reducing mobility, it also introduced toxic effects. These tradeoffs must be viewed holistically when the ultimate performance of cleanup measures is judged.
Cleanup levels for pcbs and their combustion products at an industrial facility
Authors: LaGoy Peter K. , Garrett Jennifer S. 
Published: February 2007

AbstractIn 1991, a fire occurred at a foundry in western Pennsylvania. The fire started in capacitors that contained polychlorinated biphenyls (PCBs) and subsequent sampling has indicated that PCBs and products of their incomplete combustion, the polychlorinated dibenzo‐p‐dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs), were released as a result of the fire. This article develops and provides justification for site‐specific cleanup levels for the PCBs, PCDDs, and PCDFs accidentally released into this industrial facility during the fire. Cleanup levels were calculated using standard risk assessment approaches and assumptions, and these riskbased values were compared with cleanup criteria used for other sites. Final criteria were established based on this comparison and a consideration of such site‐specific factors as migration potential, industrial use patterns, and the small mass of material present.