bluuebunny/crossref_metadata_2025_split huggingface dataset:
Three-dimensional Cranio-Facial Reconstruction in Forensic Identification: Latest Progress and New Tendencies in the 21st Century
Authors: De Greef S , Willems G 
Published: November 2004

Abstract
Three-dimensional (3D) cranio-facial reconstruction can be useful in the identification of an unknown body. The progress in computer science and the improvement of medical imaging technologies during recent years had significant repercussions on this domain. New facial soft tissue depth data for children and adults have been obtained using ultrasound, CT-scans and radiographies. New guidelines for facial feature properties such as nose projection, eye protrusion or mouth width, have been suggested, but also older theories and "rules of thumbs" have been critically evaluated based on digital technology. New fast, flexible and objective 3D reconstruction computer programs are in full development. The research on craniofacial reconstruction since the beginning of the 21st century is presented, highlighting computer-aided 3D facial reconstruction. Employing the newer technologies and permanently evaluating and (re)questioning the obtained results will hopefully lead to more accurate reconstructions.
Determination of Elemental Sulfur in Explosives and Explosive Residues by Gas Chromatography-Mass Spectrometry
Authors: Bradley KS 
Published: November 2004

Abstract
A new method for the positive identification of elemental sulfur in explosives and explosive residues is developed. Following a carbon disulfide wash of explosives or explosive residues, a sample of the extracted material is injected onto a gas chromatography (GC) column, then analyzed via mass-selective (MS) detection. A positive identification of elemental sulfur is based on both retention time and fragmentation pattern. The GC-MS method is demonstrated to be useful in detecting and positively identifying elemental sulfur from both burned and unburned explosive mixtures. With a detection limit of 2.5 ng (2.5 × 10-9 grams) of elemental sulfur on the column, it is shown to be 400 times more sensitive than the presumptive chemical color test that is currently the method employed for detection of small amounts of sulfur.
The Detection and Enhancement of Latent Fingermarks Using Infrared Chemical Imaging
Authors: Tahtouh M , Kalman JR , Roux C , Lennard C , Reedy BJ 
Published: November 2004

Abstract
The use of a new technique, Fourier transform infrared (FTIR) chemical imaging, has been demonstrated for the enhancement of latent fingermarks on a number of surfaces. Images of untreated fingermarks on glass backgrounds with excellent ridge detail were acquired using infrared chemical imaging. High quality fingermarks on glass backgrounds were also developed using ethyl cyanoacrylate (super glue) fuming and subsequent infrared chemical imaging. This new method allows the collection of images from backgrounds that traditionally pose problems for current fingermark detection methods. The background may, for example, be highly colored, have a complex pattern, or possess other pattern or image characteristics that make it difficult to separate fingermark ridges using traditional optical or luminescent visualization. One background that has proven to be a challenging surface for the development of latent fingermarks is the Australian polymer banknote. To demonstrate the power and applicability of infrared chemical imaging, fingermarks fumed with ethyl cyanoacrylate were successfully imaged from Australian polymer banknotes.
Analysis of Explosive Damage in Metals Using Orientation Imaging Microscopy
Authors: Chumbley LS , Laabs FC 
Published: November 2004

Abstract
The goal of this project was to determine whether quantitative information concerning the size and nature of an explosive blast could be determined using Orientation Imaging Microscopy (OIM) to analyze the texture of blast-affected metal. Selected 1018 steel and 2024 aluminum samples were subjected to various explosive blasts chosen to simulate a wide range of possible pressure waves. The explosives used were PBX 9404, Comp-C4, Gelmax, and Bullseye. The explosive tests were carried out at Sandia National Laboratory, and the OIM analysis was conducted at Ames Laboratory. It was discovered that while suitable patterns could be obtained from the steel samples, the oxide layer present on the surface of the aluminum samples prevented these samples from being studied. The results of the OIM studies on the steel samples indicate that damage can be tracked using OIM imaging and that Comp-C4 seems to produce patterns significantly different than the other explosives.
Review of: Forensic Facial Reconstruction
Authors: Ubelaker DH 
Published: November 2004

Abstract
Facial reconstruction, as defined in this book, refers to the process “whereby the face of an individual is built onto the skull for the purpose of identification.” The volume joins a growing literature on this subject, reflecting advances in artistic techniques and the underlying science, as well as the sustained need to present facial imagery to the public with the goal of obtaining information helful in identification of unknown remains.
Review of: Techniques of Crime Scene Investigation, 7th edition, and Techniques of Crime Scene Investigation Interactive Training CD-ROM
Authors: Bashinski JS , Crim M 
Published: November 2004

Abstract
The seventh edition of Barry Fisher's classic work on crime scene investigation, based on an earlier text by Arne Svensson and Otto Wendel, carries on the tradition of its predecessors. This widely used textbook is designed as a basic reference for students of crime scene investigation, including police investigators, crime scene technicians, and forensic scientists. new with this edition is an companion interactive training CD ROM developed by Jane Homeyer and Sarah Mikolajczyk.
Quantitative structure-activity relationship methods: Perspectives on drug discovery and toxicology
Authors: Perkins Roger , Fang Hong , Tong Weida , Welsh William J. 
Published: November 2004

Abstract
Quantitative structure—activity relationships (QSARs) attempt to correlate chemical structure with activity using statistical approaches. The QSAR models are useful for various purposes including the prediction of activities of untested chemicals. Quantitative structure—activity relationships and other related approaches have attracted broad scientific interest, particularly in the pharmaceutical industry for drug discovery and in toxicology and environmental science for risk assessment. An assortment of new QSAR methods have been developed during the past decade, most of them focused on drug discovery. Besides advancing our fundamental knowledge of QSARs, these scientific efforts have stimulated their application in a wider range of disciplines, such as toxicology, where QSARs have not yet gained full appreciation. In this review, we attempt to summarize the status of QSAR with emphasis on illuminating the utility and limitations of QSAR technology. We will first review two-dimensional (2D) QSAR with a discussion of the availability and appropriate selection of molecular descriptors. We will then proceed to describe three-dimensional (3D) QSAR and key issues associated with this technology, then compare the relative suitability of 2D and 3D QSAR for different applications. Given the recent technological advances in biological research for rapid identification of drug targets, we mention several examples in which QSAR approaches are employed in conjunction with improved knowledge of the structure and function of the target receptor. The review will conclude by discussing statistical validation of QSAR models, a topic that has received sparse attention in recent years despite its critical importance.
Quantitative structure-activity relationships for predicting potential ecological hazard of organic chemicals for use in regulatory risk assessments
Authors: Comber Mike H. I. , Walker John D. , Watts Chris , Hermens Joop 
Published: November 2004

Abstract
The use of quantitative structure-activity relationships (QSARs) for deriving the predicted no-effect concentration of discrete organic chemicals for the purposes of conducting a regulatory risk assessment in Europe and the United States is described. In the United States, under the Toxic Substances Control Act (TSCA), the TSCA Interagency Testing Committee and the U.S. Environmental Protection Agency (U.S. EPA) use SARs to estimate the hazards of existing and new chemicals. Within the Existing Substances Regulation in Europe, QSARs may be used for data evaluation, test strategy indications, and the identification and filling of data gaps. To illustrate where and when QSARs may be useful and when their use is more problematic, an example, methyl tertiary-butyl ether (MTBE), is given and the predicted and experimental data are compared. Improvements needed for new QSARs and tools for developing and using QSARs are discussed.
Quantitative structure-activity relationships for human health effects: Commonalities with other endpoints
Authors: Cronin Mark T. D. , Dearden John C. , Walker John D. , Worth Andrew P. 
Published: November 2004

Abstract
This article describes the use of quantitative structure-activity relationships (QSARs) to predict toxicity endpoints for ecologically relevant and human-surrogate species. The interrelationships between the endpoints, and the possibilities of exploring the commonalities of chemical action from one species to another as well as from one endpoint to another, are evaluated. A number of toxic endpoints are discussed including mutagenicity and carcinogenicity; developmental toxicity (teratogenicity); acute toxicity; skin sensitization; skin, eye, and sensory irritation; and the modeling of membrane permeability. A number of electrophilic molecular substructures have been identified that are common to a number of toxicities. It is postulated that if such a substructure is observed in a molecule, it may exhibit a range of toxicities. Further, there appear to be relationships between the toxicity to ecologically relevant and human-surrogate species, which may allow for appreciation and possible extrapolation in both directions. Overall, however, QSARs are limited by the paucity of available toxicological data and information.
Recent developments in broadly applicable structure-biodegradability relationships
Authors: Jaworska Joanna S. , Boethling Robert S. , Howard Philip H. 
Published: November 2004

Abstract
Biodegradation is one of the most important processes influencing concentration of a chemical substance after its release to the environment. It is the main process for removal of many chemicals from the environment and therefore is an important factor in risk assessments. This article reviews available methods and models for predicting biodegradability of organic chemicals from structure. The first section of the article briefly discusses current needs for biodegradability estimation methods related to new and existing chemicals and in the context of multimedia exposure models. Following sections include biodegradation test methods and endpoints used in modeling, with special attention given to the Japanese Ministry of International Trade and Industry test; a primer on modeling, describing the various approaches that have been used in the structure/biodegradability relationship work, and contrasting statistical and mechanistic approaches; and recent developments in structure/biodegradability relationships, divided into group contribution, chemometric, and artificial intelligence approaches.
Quantitative structure-activity relationship models for prediction of estrogen receptor binding affinity of structurally diverse chemicals
Authors: Schmieder Patricia K. , Ankley Gerald , Mekenyan Ovanes , Walker John D. , Bradbury Steven 
Published: November 2004

Abstract
The demonstrated ability of a variety of structurally diverse chemicals to bind to the estrogen receptor has raised the concern that chemicals in the environment may be causing adverse effects through interference with nuclear receptor pathways. Many structure-activity relationship models have been developed to predict chemical binding to the estrogen receptor as an indication of potential estrogenicity. Models based on either two-dimensional or three-dimensional molecular descriptions that have been used to predict potential for binding to the estrogen receptor are the subject of the current review. The utility of such approaches to predict binding potential of diverse chemical structures in large chemical inventories, with potential application in a tiered risk assessment scheme, is discussed.
Quantitative structure-activity relationships for predicting percutaneous absorption rates
Authors: Walker John D. , Rodford Rosemary , Patlewicz Grace 
Published: November 2004

Abstract
Quantitative structure-activity relationships (QSARs) for predicting percutaneous absorption rates were reviewed. Overall progress has been hampered by the sparseness of good quality experimental data. A number of researchers have used the same data set to develop QSARs for predicting percutaneous absorption rates, a fact that makes it difficult, at this time, to recommend one or two QSARs for predicting percutaneous absorption rates. Identification of chemicals within domains of large chemical universes that should be tested to improve QSARs and the subsequent development of experimental percutaneous absorption rates for those chemicals will facilitate the development of more robust QSARs for predicting percutaneous absorption rates.
Quantitative structure-activity relationships for predicting metabolism and modeling cytochrome P450 enzyme activities
Authors: Long Anthony , Walker John D. 
Published: November 2004

Abstract
Quantitative structure-activity relationships (QSARs) for predicting phase I and phase II metabolism and for modeling cytochrome P450 enzyme activities are described and reviewed. Papers dealing with three-dimensional techniques such as comparative molecular field analysis and pharmacophore modeling are included. This review focuses on those cytochrome P450 isoenzymes that are expressed in human hepatocytes and that are commonly responsible for the majority of drug and xenobiotic metabolism. Substrate-type selectivity information for those isoenzymes is included. The importance of lipophilicity correlations in xenobiotic metabolism predictions are outlined. A brief inclusion of available material on the prediction phase II conjugation biotransformations such as glucuronidation, sulfation, glycination, and glutathionation are included. Historical information is briefly discussed, but more detailed reviews are provided for papers published since 1997.
Quantitative structure-property relationships for predicting henry's law constant from molecular structure
Authors: Dearden John C. , Schüürmann Gerrit 
Published: November 2004

Abstract
Various models are available for the prediction of Henry's law constant (H) or the air-water partition coefficient (Kaw), its dimensionless counterpart. Incremental methods are based on structural features such as atom types, bond types, and local structural environments; other regression models employ physicochemical properties, structural descriptors such as connectivity indices, and descriptors reflecting the electronic structure. There are also methods to calculate H from the ratio of vapor pressure (pv) and water solubility (Sw) that in turn can be estimated from molecular structure, and quantum chemical continuum-solvation models to predict H via the solvation-free energy (ΔGs). This review is confined to methods that calculate H from molecular strúcture without experimental information and covers more than 40 methods published in the last 26 years. For a subset of eight incremental methods and four continuum-solvation models, a comparative analysis of their prediction performance is made using a test set of 700 compounds that includes a significant number of more complex and drug-like chemical structures. The results reveal substantial differences in the application range as well as in the prediction capability, a general decrease in prediction performance with decreasing H, and surprisingly large individual prediction errors, which are particularly striking for some quantum chemical schemes. The overall best-performing method appears to be the bond contribution method as implemented in the HEN-RYWIN software package, yielding a predictive squared correlation coefficient (q2) of 0.87 and a standard error of 1.03 log units for the test set.
Biotransformation of dissolved and sediment-bound fluoranthene in the polychaete, Capitella sp. I
Authors: Selck Henriette , Palmqvist Annemette , Forbes Valery E. 
Published: November 2004

Abstract
Polycyclic aromatic hydrocarbons (PAHs) are widely distributed in the marine environment and have physicochemical properties that make them likely to bioaccumulate. The main purpose of this study was to investigate fluoranthene (FLU) uptake, biotransformation and elimination in the deposit-feeding polychaete Capitella sp. I exposed via different routes. Individual worms were exposed to either dissolved FLU or to both dissolved and sediment-bound FLU. The 14C-FLU was used as a tracer to determine the amounts of unmetabolized FLU (parent), water-soluble (aqueous)- and water-insoluble (polar) FLU metabolites and FLU residues (unextractable fraction) in sediment, water, and worm tissue. Capitella was capable of accumulating and biotransforming FLU regardless of route of exposure, thus suggesting that biotransformation activity is not restricted to gut tissues. Although both feeding and nonfeeding worms were able to biotransform FLU extensively, feeding worms eliminated/transformed parent FLU faster than both aqueous and polar FLU metabolites after transfer to clean conditions, whereas nonfeeding worms barely excreted FLU in any form. The high biotransformation capability of Capitella sp. I, along with the dependency of elimination on exposure route, demonstrates the potential importance of these processes in controlling the fate and effects of PAH and possibly other organic toxicants in contaminated marine sediments.
A model to understand the confounding effects of natural sediments in toxicity tests with Chironomus riparius
Authors: Péry Alexandre R. R. , Sulmon Vanessa , Mons Raphaël , Flammarion Patrick , Lagadic Laurent , Garric Jeanne 
Published: November 2004

Abstract
Recently, we built a model to link feeding input with growth, emergence, and reproduction of the midge Chironomus riparius exposed to an artificial sandy sediment. This model is based on assumptions about both feeding behavior and use of energy. Here, we show how it can be used for toxicity tests with natural sediments to understand and model the influence of sediment characteristics. We measured growth, emergence, and reproduction of chironomids exposed in beakers to four unpolluted natural sediments and three feeding conditions (no feeding, 0.2 mg Tetramin®/larva/d, and 1.4 mg Tetramin/larva/d) and compared the results with data obtained on our artificial sandy sediment. Sediment characteristics had lower influence on growth than feeding level, but their influence could not be neglected. First, we could distinguish between sandy sediments and other sediments. This difference resulted in a significant delay of about 18 h in the growth curves. Second, in case of food limitation, chironomids could use the organic materials in the sediment, provided that the C:N ratio of the sediment was less than 14. Our model proved to be able to incorporate those two phenomena. As for reproduction, we observed a better reproduction (measured in number of eggs per mass) for natural sediments than for artificial sediments. We showed that this difference could be due to the lipid content of the natural sediments.
Determination of the estrogenic and antiestrogenic effects of environmental contaminants in chicken embryo hepatocyte cultures by quantitative-polymerase chain reaction
Authors: Lorenzen Angela , Williams Kim L. , Oon Thomas W. M 
Published: November 2004

Abstract
A method was developed to measure the estrogenic and antiestrogenic effects of various chemicals and organochlorine extracts in chicken embryo primary hepatocyte cultures. Messenger RNAs (mRNAs) for the estrogen-inducible egg yolk proteins, vitellogenin II (VTGII), and very low-density lipoprotein apoprotein II (apoII), were measured by multiplex quantitative reverse transcription-polymerase chain reaction (Q-PCR). After 48 h of exposure, both VTGII and apoII mRNA levels were induced by moxestrol (1–1,000 nM), 17pj-estradiol (10–1,000 nM), α, p'-DDT (apoII: 1,000 and 10,000 nM, VTGII: 10,000 nM), 4-tert-octylphenol ([OP]; apoII: 20 and 50 μM, VTGII: 10–50μM), and methoxychlor ([MXCL]; apoII: 5–50 μM, VTGII: 20 and 50 μM). Tamoxifen (100 and 1,000 nM) induced apoII mRNA only, and bisphenol A (BPA) was not estrogenic. Inhibition of moxestrol-mediated VTGII or apoII mRNA induction by MXCL, o,p'-DDT and tamoxifen indicated that these chemicals were also antiestrogenic at concentrations similar to those which caused estrogenic responses. Organochlorine extracts prepared from herring gull embryo yolk sacs obtained from three Great Lakes sites and one Atlantic coast site (reference site) did not show any estrogenic activities. However, the same extracts from all three Great Lakes sites had antiestrogenic activities. These results indicate that wild birds may be susceptible to the estrogenic or antiestrogenic effects of environmental contaminants.
Enhancing toxicity test performance by using a statistical criterion
Authors: Denton Debra L. , Fox John F. , Fulk Florence A. 
Published: November 2004

Abstract
Aquatic toxicity tests are laboratory experiments that measure the biological effect (e.g., growth, survival, reproduction) of effluents, receiving waters, or storm water on aquatic organisms. These toxicity tests must be performed using the best laboratory practices, and every effort must be made to enhance repeatability of the test method. We evaluated the generated reference toxicant test data for insurance of a level of quality assurance for tests over time within a laboratory and among laboratories. We recommend the reporting and evaluation of the percent minimum significant difference (PMSD) value for all toxicity test results. The minimum significant difference (MSD) represents the smallest difference between the control mean and a treatment mean that leads to the statistical rejection of the null hypothesis (i.e., no toxicity) at each concentration of the toxicity test dilution series. The MSD provides an indication of within-test variability, and smaller values of MSD are associated with increased power to detect a toxic effect. We recommend upper and lower PMSD bounds for each test method in order to minimize within-test variability and increase statistical power. To ensure that PMSD does not exceed an upper bound, testing laboratories may need to increase replication, decrease variability among replicates, or increase the control mean performance.