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Analysis of the registry of toxic effects of chemical substances (RTECS) files and conversion of the data in these files for input to the environmental chemicals data and information network (ECDIN).

A data bank for environmental chemicals, ECDIN, is being developed at the Joint Research Centre of the European Communities in cooperation with universities and research institutes in the nine member states as a part of the Environmental Research Programme of the EC. During the pilot phase of the project, data from the Registry of Toxic Effects of Chemical Substances have been incorporated into the data bank. Conversions of the data into ECDIN input format was necessary before inclusion of the toxicity data in ECDIN, and the computer programs used for this format conversion have produced various statistics for the contents of the RTECS files. Analyses of the data in three editions of RTECS are presented.

Environmental Pollutants

Development of a multifunctional drug file for hospital pharmacy computer applications.

The development of a multifunctional master drug file (MDF) which satisfies initial pharmacy data base requirements and has the capability to support increasingly sophisticated computer applications is described. The computerized purchasing, inventory, drug use review and formulary systems in a 1,100-bed teaching hospital were evaluated to determine which existing data fields should be included in the MDF, Functional requirements for the MDF and 27 data fields, each with its own particular specifications for programming, were identified. A method of data input was designed to create and maintain the file using keypunched Hollerith cards. Data input forms were designed to serve as coding documents for drug file data. Verification of all data in the file can be performed by running a program which lists the contents of each drug recorded. Based on 1975 salary rates, the total cost of the MDF development was $4,010; total time required was 640 hours. Approximately one hour per week is needed to keep the file contents up to date. File design specifications and contents are discussed, with special emphasis on the functional aspects of the MDF. The MDF successfully fulfilled the initaial pharmacy computer system requirements and has the potential to accommodate increasingly sophisticated applications.

Computers

MAFin: motif detection in multiple alignment files.

MOTIVATION: Whole Genome and Proteome Alignments, represented by the multiple alignment file format, have become a standard approach in comparative genomics and proteomics. These often require identifying conserved motifs, which is crucial for understanding functional and evolutionary relationships. However, current approaches lack a direct method for motif detection within MAF files. We present MAFin, a novel tool that enables efficient motif detection and conservation analysis in MAF files to address this gap, streamlining genomic and proteomic research. RESULTS: We developed MAFin, the first motif detection tool for Multiple Alignment Format files. MAFin enables the multithreaded search of conserved motifs using three approaches: (i) using user-specified k-mers to search the sequences. (ii) with regular expressions, in which case one or more patterns are searched, and (iii) with predefined Position Weight Matrices. Once the motif has been found, MAFin detects the motif instances and calculates the conservation across the aligned sequences. MAFin also calculates a conservation percentage, which provides information about the conservation levels of each motif across the aligned sequences, based on the number of matches relative to the length of the motif. A set of statistics enables the interpretation of each motif's conservation level, and the detected motifs are exported in JSON and CSV files for downstream analyses. AVAILABILITY AND IMPLEMENTATION: MAFin is offered as a Python package under the GPL license as a multi-platform application and is available at: https://github.com/Georgakopoulos-Soares-lab/MAFin.

Software

HXMS: a standardized file format for HX-MS data.

MOTIVATION: Hydrogen/deuterium exchange-mass spectrometry (HX-MS) is a rapidly expanding technique used to investigate protein conformational ensembles. The growing popularity and utility of HX-MS has driven the development of diverse instrumentation and software, resulting in inconsistent, non-standardized data analysis and representation. Most HX-MS data formats also employ only mean deuteration representations of the data rather than full isotopic mass spectra, which reduces the information content of the data and limits downstream quantitative analysis. RESULTS: Inspired by reliable protein structure and genomics data formats, we present HXMS, a unified, lightweight, scalable, and human-readable file format for HX-MS data. The HXMS format preserves the isotopic mass envelopes for all peptides, captures the full experimental time-course including fully deuterated control samples, and contains all other key information. It supports multimodal distributions, post-translational modifications (PTMs), and experimental replicates. To promote compatibility with existing HX-MS workflows, we also developed PFLink, a Python package that converts exported data files from commonly used HX-MS software to the HXMS format. PFLink and the HXMS format will enable quantitative, higher-resolution data processing, improved data sharing and storage among HX-MS practitioners, future machine learning applications, and further developments in HX-MS analysis. AVAILABILITY AND IMPLEMENTATION: PFLink is publicly available to install locally on HuggingFace, alongside documentation, or use online at HuggingFace (https://huggingface.co/spaces/glasgow-lab/PFlink). The supplementary information includes sample input files, sample HXMS files, and a generic unfilled PFlink custom CSV file that users may populate with key experimental conditions and results, which can then be read and converted into the HXMS format.

Software

Report filing in histopathology.

An assessment of alternative methods of filing histopathology report forms in alphabetical order showed that orthodox card index filing is satisfactory up to about 100000 reports but, because of the need for long-term retrieval, when the reports filed exceed this number they should be copied on jacketed microfilm and a new card index file begun.

Costs and Cost Analysis

Theory of single-file noise.

A general theoretical approach to the analysis of electric fluctuations generated by the so-called single-file diffusion through narrow channels is presented. The formalism is a slight extension of an approach to electric fluctuations in discrete transport systems with negligible interactions between the particles recently developed by one of the authors. In the single-file transport mechanism interactions between the particles must be taken into account. Three main results of principal interest are: (a) the electric fluctuations around stationary states (at equilibrium and non-equilibrium) are determined by the time-dependent solutions of the macroscopic single-file transport equations, (b) as a direct consquence of the interactions between the ions in the single-file transport the macroscopic time-dependent current and the autocorrelation function of the microscopic current fluctuations can exhibit damped oscillatory behavior, and the current noise spectrum can show peaking, (c) the number of binding sites for the ions within the pores seems to have a strong influence on the oscillatory behavior: with increasing number of binding sites the damping of the oscillations decreases and the peaking of the spectrum becomes stronger.

Binding Sites

Chairside decontamination of endodontic files.

Chairside decontamination. of files and reamers is attempted during root canal treatment. The purpose of this study was to evaluate some techniques for reducing the number of microorganisms of artificially contaminated endodontic files. Endodontic files were artificially contaminated with about 10,000 colony-forming units of either B. subtilis spores or S. mitis. The files containing the bacteria were then subjected to various decontamination procedures. Although sterilization was not achieved with any procedure, the bead sterilizer was found to be the most effective decontamination method tested. All gauze wipings showed reductions greater than 90 per cent. It was concluded that wiping with 2 by 2 inch gauze is a highly efficient and practical method of chairside decontamination

1-Propanol

The optimal design of MUMPS global file.

This paper presents the basic consideration of global file design on MUMPS language. The major goal of global design is to reduce the number of disc accesses made over the long-term use of a file. To attain this goal, the procedure for finding the global file which minimizes the average number of disc blocks accessed to obtain a data node is proposed. Furthermore, the total number of blocks in use with file design are demonstrated by simple examples.

Computers

The who, why and how of radiology teaching files.

A variety of teaching files in diagnostic radiology is needed to serve a broad spectrum of purposes and students. A method of acquiring a simplified teaching file to be used for and by medical students, non-radiology house staff, first-year radiology residents and senior staff members is described. The medical student, as a learning experience, acts as the procurer of this file.

Filing

Powder data file as a tool for identification of dental gold alloys.

In order to obtain data for a prospective powder data file for dental gold alloys X-ray diffraction photograms of 75 different gold alloys were taken using a Guinier-Hägg camera and CuKalpha1 radiation. Before the X-ray photograms were taken the alloys had been heat treated at 700 degrees C, 800 degrees C or 900 degrees C depending on the solidus temperatures of the alloys. The lattice parameters of the samples were determined from the X-ray photograms. These data were supplemented by a specification of the interplanar spacings of the three strongest lines on the diffraction patterns and also by the relative intensities and Miller indices of these lines. An extensive library of reference films is to be collected and this and other details of the file are discussed. It is not intended that the file be used to identify a particular alloy but merely to identify the type of alloy. Thus it can serve as a guide to facilitate the proper selection of gold alloys within practical clinical dentistry.

Filing

Computer printing and filing of microbiology reports. 1. Description of the system.

From March 1974 all reports from this microbiology department have been computer printed and filed. The system was designed to include every medically important microorganism and test. Technicians at the laboratory bench made their results computer-readable using Port-a-punch cards, and specimen details were recorded on paper-tape, allowing the full description of each specimen to appear on the report. A summary form of each microbiology phrase enabled copies of reports to be printed on wide paper with 12 to 18 reports per sheet; such copies, in alphabetical order for one day, and cumulatively for one week were used by staff answering enquiries to the office. This format could also be used for printing allthe reports for one patient. Retrieval of results from the files was easily performed and was useful to medical and laboratory staff and for control-of-infection purposes. The system was written in COBOL and was designed to be as cost-effective as possible without sacrificing accuracy; the cost of a report and its filing was 17-97 pence.

Computers

Microfiling and automatic filing of radiographs.

When advantage is taken of the newest qualities of microfilms and copy films and when using their special developers and developing machines, it seems today that the microfilming of radiographs on 35 mm film is successful. Equipment in the price range of 67 000 DM is available. It includes automated filming and developing, but slipping microfilms onto the punch card jackets is semi-automatic. The advantage of the equipment is its low price, its small size compared to the Delcomat system, and thus its smaller filing space need. Also, the automation of filing is possible with this system. The system seems to be quite suitable for at least creating and maintenance of teaching files.

Finland

A filing system for transparencies.

A system has been developed to facilitate filing of 2 inches X 2 inches Kodachrome slides. This is coordinated with a diagnostic and therapeutic index that allows for easy retrieval. Compact metal filing cabinets are used, eliminating the need for subsequent rearrangement of slides. The system also provides a method for recall of patients. Preoperative photographs are maintained in plastic folders and checked periodically until the postoperative photographs have been taken.

Filing

The ophthalmologist's office: planning and practice. Patient records and filing systems.

Suggestions and examples of the components of patient charts have been offered for the most efficient office system and for the greatest protection of the ophthalmologist against malpractice charges. Emphasis has been placed on the alphabetical system of filing, the need for well-designed filing cabinets, and measures to reduce the incidence of misplacing and losing patient charts.

Filing

A patient and family number assignment and chart filing system for family physicians.

The Department of Family Medicine and Practice at the University of Wisconsin-Madison has devised and implemented an alpha-numeric system of identifying patient records together with a system of chart filing based on a variation of terminal digit filing. The system provides each patient with a unique identification number. This permanently assigned number is used as part of the medical record (chart) information, as the basis for assigning an account number, as the basis for determining the storage location of the chart in the record room, and as the basis for a family identification number. The number defines the patient's sex and position within the family, and its permanency ensures a capability for conducting both short- and long-term ambulatory care research in the family context.

Color

Indexing and filing of pathological illustrations.

An inexpensive feature card retrieval system has been combined with the Systematised Nomenclature of Pathology (SNOP) to provide simple but efficient means of indexing and filing 2 in. x 2 in. transparencies within a department of pathology. Using this system 2400 transparencies and the associated index cards can be conveniently stored in one drawer of a standard filing cabinet.

Abstracting and Indexing