[Spectrophotometric analysis of multicomponent drugs based on computational methods and electronic computers].
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A new computational method using a Monte Carlo technique is described for the calculation of plausibility of paternity in blood group systems. In this study gene frequencies of a blood group system are simulated by the range of the seven digit random numbers. By using a Monte Carlo method, four random numbers are generated and converted into paternal and maternal genotypes. Then the genotype of the child is determined according to the law of inheritance, and finally genotypes of the father, mother and child are converted into phenotypes. Repeating this process more than one hundred thousand times, the phenotypic frequencies of child-mother-father combinations (trio) and the likelihood ratio of paternity in any blood group system are calculated for all phenotypic combinations of the trios. This method is much easier than methods reported previously, and is sufficiently accurate.
A computer method is described in which an estimate of Km and V parameters is obtained by fitting a Michaelis-Menten hyperbola to experimental data. The frequency distribution of calculated parameters is far from normality. A statistical evaluation of the differences between kinetic parameters must be obtained by the use of non-parametric statistics.
Computer methods developed by the authors for analysis of fraction labelled mitoses curves (FLM curves) have been compared. Four test examples were used in the study; the first example was the synthesis of a FLM curve with fixed parameters and the others involved fitting actual data. Experimental FLM curves showing various degrees of damping were used in the curve fitting tests. In each test example the comparison was based on the assumptions of exponential growth, a growth fraction of unity and no cell loss. In three of the test examples good agreement between the methods was observed but in one example some important discrepancies arose in the analysis of a heavily damped FLM curve.
We describe a computer method for determining plaque size and morphology from photographs of hemolytic plaques. The method eliminates any inter-measurer and intra-measurer inconsistencies that may arise when manual measurements are made on plaques whose boundaries are poorly defined. For circular plaques inner and outer plaque radii are determined. In addition the computer generates a density profile for each plaque, i.e., a plot of the film density versus the radial distance from the antibody forming cell. We demonstrate the use of the method by analyzing a time study of the growth of a single plaque.
A computational method for calculating the dynamic distensibility of the vessel wall in vivo, developed on the basis of the pressure pulse transmission, is proposed. Distensibilities of descending thoracic aorta, abdominal aorta, and femoral artery in normal dogs, and of femoral artery of a typical dog under the action of vasoactive drugs, have been calculated. In femoral artery it is compared with the values of the diameter change/pressure change. Comparison of the results clearly indicate the feasibility of the proposed method. The order of distensibility found is: descending thoracic aorta greater than abdominal aorta greater than femoral artery.
We present a computer method utilizing published values for base pairing energies to compute the most energetically favorable secondary structure of an RNA from its primary nucleotide sequence. After listing all possible double-helical regions, every pair of mutally incompatible regions (whose nucleotides overlap) is examined to determine whether parts of those two regions can be combined by branch migration to form a pair of compatible new subregions which together are more stable than either of the original regions separately. These subregions are added to the list of base pairing regions which will compete to form the best overall structure. Then, a 'hyperstructure matrix' is generated, containing the unique topological relationship between every pair of regions. We have shown that the best structure can be chosen directly from this matrix, without the necessity of creating and examing every possible secondary structure. We have included the results from our solution of the 5S rRNA of the cyanobacterium Anacystis nidulans as an example of our program's capabilities.
Manual and computer versions of the diagnostic of the index-E-Book are described. Methods for establisment and maintenance of both indexes are given and the relative merits of each are delineated. Uses of diagnostic indexes are presented which are appropriate to solo and group practices. The role of the diagnostic index in curriculum development within a family practice training setting is also illustrated.
Multivariate variance and discriminance-analytic investigations on the value of evidence of clinico-chemical tests in the diagnostics of diseases of the liver and the biliary tract gave the following results: 1. By means of clinico-chemical methods and discriminance-analytic functions we succeed in 50% of the cases in formulating a correct diagnosis, in more than 75% of the cases a correct probability diagnosis (3 first places in the rank of diagnoses). Sensitivity and specificity of discrimination were established for 15 classes of diagnoses. 2. Due to the intercorrelations of test results biochemical maximum programmes contain numerous redundant parameters measured on diagnostic information values. With the help of a test for indispensability (redundance test) among 20 parameters owy 5-6 were characterized as indispensable. An optimal combination of parameters should not transgress an extent of 14 tests. 3. Results of reclassifications with discriminance analytic functions confirmed that the discriminance analysis is an extraordinarily suitable method for the computer-supported finding of a decision, on which basis aimed additional investigations might be performed.
The process of organ motion correction in scintigraphy is analysed in the frequency domain. The sequence of the chi- and gamma- coordinates registered during scintigraphic recording is converted to a frequency spectrum by a discrete Fourier transform. In the frequency domain motion correction is performed by linear filtering. Every convolution filter in the time domain corresponds to a linear filter in the frequency domain, and the filter form in the frequency domain is a good measure of the quality of the correction. With the aid of frequency analysis simple convolution filters in the time domain are developed. The usual centre of gravity method is not a convolution filter and has an unfavourable frequency behaviour. By means of phantom measurements the following correction methods are tested: the usual (non-convolutional) centre of gravity method, the convolutional centre of gravity method, a weighted convolutional centre of gravity method and the Fourier filtering method.
The computer-assisted interpretation of repetitively scanned mass spectra can be of great value in the analysis of a complex mixture even in the absence of a library of reference spectra. We have written a set of interpretation programs for a PDP11/45 laboratory computer. A file structure is used that combines economy of storage with ease of creation and retrieval. User interaction is by a simple command language implemented by an interpreter. The program structure is such that additional functions can be added easily.
Single motor unit potentials recorded from surface electrodes over the extensor digitorum brevis muscle and evoked by stimulation of the anterior tibial nerve at the ankle were obtained by a computer subtraction method. Their latencies, durations, amplitudes, and areas were measured in control subjects and patients with Duchenne, limb-girdle, facioscapulohumeral, and myotonic muscular dystrophy. Lateral popliteal motor nerve conduction velocities were also recorded. In the muscular dystrophies there was a significant increase in both the latencies and durations of motor unit potentials, the latter in notable contrast with the findings of conventional needle electromyography. Fastest motor conduction velocities were significantly reduced in the limb-girdle, facioscapulohumeral, and myotonic muscular dystrophy patients, while the shortest distal motor latencies were significantly prolonged in these patients and those with Duchenne muscular dystrophy. The results support the presence of a definitive neurogenic influence in the muscular dystrophies.
Application of various methods of classification to a group of 70 cases of ventricular septal defect with high pulmonary artery hypertension allowed a comparative study between the various methods aiming at distinguishing the forms with low from high pulmonary artery resistance. The reference clinical classification provides supplementary informations derived from the natural or post-operative course and eventually from the microscopic examination. The first automatic classification relies on the study of a single criterion: the pulmonary arteriolar resistance and the systemic resistance ratio. A second classification is based on the attribution of points to some clinical or haemodynamic signs resulting in a score orienting the classification of every individual. Multifactorial analysis methods deal with all the available informations for the overall group, and suppose the use of a computer. The informatic methods make it possible to study the classifying value of every sign. Correlations were established between these various techniques and the medical classification.
A simple BASIC computer program allows rapid determination of the equivalent squares of irregular radiation therapy fields. A port film or scale drawing of the irregular field is outlined manually on a spark tablet digitizer, and the side length of the square of equivalent area to perimeter ratio is rapidly calculated and returned by the computer.
Protein and peptide aggregation has recently become one of the most studied biomedical problems due to its central role in several neurodegenerative disorders and of biotechnological importance. Multiple in silico methods, databases, tools, and algorithms have been developed to predict aggregation of proteins and peptides to better understand fundamental mechanisms of various aggregation diseases. Here, we attempt to provide a brief overview of bioinformatic methods and tools to better understand molecular mechanisms of aggregation disorders. Furthermore, through a better understanding of protein aggregation mechanisms, it might be possible to design novel therapeutic agents to treat and hopefully prevent protein aggregation diseases.
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Multi-copy integration is a core strategy for redirecting metabolic flux toward target compounds. However, its application has been hampered by the absence of methods for systematically identifying native multi-copy genomic loci. To overcome this, we developed a computational procedure for genome-wide identification of such loci. Theoretically, this method is potentially applicable to any genome-sequenced species as it only requires the genomic assembly of the target species as input. Applying the procedure to Kluyveromyces marxianus, we identified four groups of loci (KmCS1-4). Combining these loci-KmCS1-4 and the traditional 26S rDNA-with 14 markers with graded selection strengths, we established a versatile multi-copy integration toolkit comprising 70 plasmids. Each plasmid exhibits a unique integration pattern, collectively forming an integration profile. This profile serves as a manual, enabling users to select appropriate tools tailored to the expression requirements of rate-limiting enzymes in their pathways. Applying representative plasmids exhibiting low-, medium-, and high-copy integration patterns to lycopene biosynthesis modules resulted in lycopene titers of 3.5, 6.8 and 40.5 mg/L, corresponding to 2, 6 and 9 genomic copies, respectively, demonstrating a positive correlation between lycopene titers, genomic copy numbers and integration patterns, which highlights the versatility of the toolkit and its supporting manual. Our study not only provides a broadly applicable methodology for genome-wide identification of multi-copy loci, but also an efficient integration platform for K. marxianus.
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