Search PubMed⌕ Search

SEARCH · Search PubMed

Results for “Computational methods”

Search indexed PubMed citations on genomics, clinical trials, systematic reviews and public health. Explore titles, authors and supplied subject terms, then open the PubMed record.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 865 records · Page 48Linked to original sources

Experimental evaluation of a surface charge method for computing the induced magnetic field in trabecular bone.

The magnetic field induced in the pores of trabecular bone as a result of the susceptibility difference between bone and bone marrow was computed with the aid of magnetic surface charge models generated from images of trabecular bone specimens acquired at 78 and 63 microm resolution. The predicted field was compared with the values derived from 2D and 3D field maps obtained by echo-offset imaging techniques and excellent agreement was found between the two methods. Finally, from the slopes of regression between the experimental and computed fields, the absolute susceptibility of bone was nondestructively determined as -11.0 x 10(-6) (MKS), which is in close agreement with a reported value of -11.3 x 10(-6) obtained with powdered bone by means of a spectroscopic susceptibility matching technique (J. A. Hopkins and F. W. Wehrli, Magn. Reson. Med. 37, 494-500 (1997)).

Animals↗

[A computer-assisted method of evaluating the actual nutrition of patients with ischemic heart disease during their clinical observation].

The questionnaire method was used for the study of the actual nutrition of coronary patients after their discharge from the Clinic for Dietotherapy, during dispensary follow-up. The chemical composition of their diets was evaluated with computer, taking into consideration the losses during food preparing, and compared with the diets recommended. Certain variations in the chemical formula of the patients' home diets were revealed using this method. It is stressed that the dietetic recommendations given to coronary patients should be followed, while their physicians should thoroughly control their adherence to the diet.

Adult↗

Discovering COX-inhibiting constituents of Morus root bark: activity-guided versus computer-aided methods.

The aim of this study was to compare the efficiency of two well known approaches for the discovery of the bioactive principle/s in medicinal plants, namely the activity-guided isolation versus the computer-aided drug discovery by means of virtual screening (VS) techniques. Morus root bark of Morus sp. L. (Moraceae) was selected as application example for the discovery of compounds with anti-inflammatory activity. The two cyclooxygenase isoenzymes COX-1 and COX-2 were chosen as targets and the corresponding pharmacophore models were generated by our research. The activity-guided fractionation of the methanol extract of the root bark resulted in the isolation of nine compounds. Their structures were elucidated by mass spectrometry, 1- and 2-dimensional NMR experiments and identified as moracins B, M, the regioisomers O/P as a mixture, and sanggenons B, C, D, E and O. The COX-1 and COX-2 inhibiting activities of these compounds were established in an enzyme assay and compared with the predicted hits obtained from the VS. Sanggenons C, E, and O, that were tested the first time for an inhibitory effect on COX-1 and -2, showed IC50 values of 10-14 microM, and 40-50 microM, respectively. The results show that the COX activities obtained for the sanggenons are correctly predicted by the in silico filtering experiment. In the case of the isolated moracins, however, it failed because the COX inhibiting activities of moracins M and P/O were not retrieved by the VS. Structure-activity relationships of the isolated compounds are discussed as well as potential pitfalls and advantages of the applied strategies.

Cyclooxygenase 1↗

Quantitative immunocytochemistry of tyrosine hydroxylase in rat brain. I. Development of a computer assisted method using the peroxidase-antiperoxidase technique.

We sought to develop a quantitative immunocytochemical procedure using the peroxidase-antiperoxidase (PAP) technique to analyze amounts of neurotransmitter biosynthetic enzyme tyrosine hydroxylase (TH) within the nucleus locus coeruleus (LC) of rat brain. Rats were perfused with 4% paraformaldehyde. The brains were embedded in paraffin, sectioned at 5 micrometers in the sagittal plane and immunocytochemically stained with antibodies to bovine adrenal TH. Staining intensity, measured by a TV image analysis system was reproducible within +/- 5%. Reaction conditions required so that the intensity of the PAP reaction product was directly and linearly related to the amount of TH enzyme protein in tissue were obtained by reacting tissues with saturating concentrations (2.5 mM) of diaminobenzidine (DAB) substrate, a constant dilution of antibody, and incubation time adjusted so that the darkest elements in tissue were below saturation. Variations in staining intensity of serial sections through the LC were found to be insignificant when compared to variations in staining between animals. In order to increase the amount of immunoreactive TH in the LC, groups of rats were treated with reserpine. Immunocytochemical and biochemical analyses were performed in parallel groups of control and reserpine animals allowed to survive 1-3 days following a single injection (10 mg/kg s.c.) of reserpine. A close correlation was found to exist between the amount of TH enzyme protein determined biochemically and the density of staining for TH. The maximal increase in TH measured immunocytochemically was 2.2-fold which was about 80% of the maximal induction determined biochemically. We conclude that the PAP method can be used for quantitative immunocytochemistry of brain TH providing that optimal reaction conditions are established.

3,3'-Diaminobenzidine↗

A systematic screen of beta(2)-microglobulin and insulin for amyloid-like segments.

Identifying sequence determinants of fibril-forming proteins is crucial for understanding the processes causing >20 proteins to form pathological amyloid depositions. Our approach to identifying which sequences form amyloid-like fibrils is to screen the amyloid-forming proteins human insulin and beta(2)-microglobulin for segments that form fibrils. Our screen is of 60 sequentially overlapping peptides, 59 being six residues in length and 1 being five residues, covering every noncysteine-containing segment in these two proteins. Each peptide was characterized as amyloid-like or nonfibril-forming. Amyloid-like peptides formed fibrils visible in electron micrographs or needle-like microcrystals showing a cross-beta diffraction pattern. Eight of the 60 peptides (three from insulin and five from beta(2)-microglobulin) were identified as amyloid-like. The results of the screen were used to assess the computational method, and good agreement between prediction and experiments was found. This agreement suggests that the pair-of-sheets, zipper spine model on which the computational method is based is at least approximately correct for the structure of the fibrils and suggests the nature of the sequence signal for formation of amyloid-like fibrils.

Amino Acid Sequence↗

A new computer-assisted method for the quantification of enhancing lesions in multiple sclerosis.

PURPOSE: Our goal is to describe a new computerized method for the detection and quantification of enhanced multiple sclerosis (MS) lesions. METHOD: Gd-DTPA-enhanced, thin section, T1-weighted images of seven patients (involving 336 slice images) with definite MS were analyzed using a new method based on the theory of "fuzzy connected components," developed and implemented on the 3DVIEWNIX software system. Four neuroradiologists selected "true" lesions from the computer-detected potential lesions with a yes/no response to the program query on 2 different days. The enhanced lesion volume and number of enhancing lesions for each image and each observer were subsequently computed. Additional studies involving 720 slices were conducted to determine lesions that were missed by the system. RESULTS: The intra- and interobserver variability in the system was 0%. It took approximately 1 min of operator time per 3D study. The system output has no false positives and a mean false-negative volume of 1.3%. CONCLUSION: The novel system calculates enhancing lesion volume and the number of enhancing lesions with very little operator time, inter- and intraoperator variability, or false-positive and false-negative volumes. Computer-based quantification of enhancing lesion volume is an important objective measure of the activity of MS. The system is now in routine use in clinical investigations that study the role of enhancing lesions in the MS disease.

Brain↗

A consideration of factors affecting the diagnostic accuracy of thallium-201 myocarial perfusion scintigraphy in detecting coronary artery disease.

Several factors influence the ability of TI-201 myocardial perfusion scintigraphy to detect coronary artery disease. Among these are the physiologic effect of the coronary lesion on relative myocardial perfusion and radionuclide distribution; technical and physiologic aspects of the scintigraphic process; and observer interpretation. The diagnostic accuracy of this scintigraphic method is related to: (1) the extent of the hypoperfused myocardium, which will depend on the severity and extent of coronary disease, the presence of collaterals, the exercise method, and the timing of thallium administration and scintigraphy; (2) the scintigraphic process, which depends on the nature of the isotope, the imaging system, and the method of image display; and (3) image interpretation, which depends on the experience of the observer as well as on the area of hypoperfused myocardium and the scintigraphic process. The diagnostic accuracy of scintigraphy for detecting coronary disease can be optimized by computer methods of image enhancement, which maximize differences in image contrast; by electrocardiographic gating; and by emission computer tomography. Other computer methods have been developed to reduce or eliminate observer intervention in interpretation and to increase the objectivity of the method.

Coronary Disease↗

Comparison of kinematic and kinetic methods for computing the vertical motion of the body center of mass during walking.

The vertical excursion of the body center of mass (BCOM) was calculated using three different techniques commonly used by motion analysis laboratories. The sacral marker method involved estimating vertical BCOM motion by tracking the position of a reflective marker that was placed on the sacrum of subjects as they walked. The body segmental analysis technique determined the vertical motion of the BCOM from a weighted average of the vertical positions of the centers of mass of individual body segments for each frame of kinematic data acquired during the data trial. Anthropomorphic data from standard tables were used to determine the mass fractions and the locations of the centers of mass of each body segment. The third technique involved calculating BCOM vertical motion through double integration of force platform data. Data was acquired from 10 able-bodied, adult research subjects--5 males and 5 females--walking at speeds of 0.8, 1.2, 1.6, and 2.0 m/s. A repeated measures ANOVA indicated that at the slowest walking speed the vertical excursions calculated by all three techniques were similar, but at faster speeds the sacral marker significantly (p < 0.001) overestimated the vertical excursion of the BCOM compared with the other two methods. The body segmental analysis and force platform techniques were in agreement at all walking speeds. Discrepancies between the sacral marker method and the other two techniques were explained using a simple model; the reciprocal configuration of the legs during double support phase significantly raises the position of the BCOM within the trunk at longer step lengths, corresponding to faster walking speeds. The sacral marker method may provide a reasonable approximation of vertical BCOM motion at slow and freely selected speeds of able-bodied walking. However, the body segmental analysis or force platform techniques will probably yield better estimates at faster walking speeds or in persons with gait pathologies.

Biomechanical Phenomena↗

A study of the interactions between residues in the C-terminal half of calmodulin by one and two-dimensional NMR methods and computer modelling.

Assignments of the six sets of aromatic ring protons and four high-field-shifted methyl group protons of the C-terminal fragment of calmodulin, residues 78-148, was achieved by a combination of one and two-dimensional NMR spectroscopic methods. A full spectral analysis of the aromatic region in terms of chemical shifts and scalar coupling constants was achieved and confirmed by spectral simulation. A three-dimensional structural model of the C-terminal fragment was constructed by interactive computer graphics techniques and combined with nuclear Overhauser enhancements to propose sequence assignments for all aromatic and high-field-shifted methyl groups. This computer-generated three-dimensional model was generally supported by the fact that it qualitatively accounted for many of the ring-current-shifted proton resonances and the intraresidue and interresidue nuclear Overhauser enhancements.

Animals↗

A digital 3-dimensional method for computing great artery flows: in vitro validation studies.

BACKGROUND: Conventional 2-dimensional Doppler large vessels are prone to inaccuracy. Three-dimensional (3D) volume imaging provides the opportunity to make cross-sectional flow calculations through digital spatiotemporal integration of flow velocity, area, and profile. METHODS: A new digital 3D color Doppler reconstruction method was used to generate radially acquired flow data sets. Raw scanline data with digital velocity assignments, obtained by scanning parallel to flow, were transferred from a specially programmed but otherwise conventional ultrasonographic system, which controlled a multiplane transesophageal probe, to a computer workstation via an Ethernet link for assimilation into color 3D data sets. This configuration was used to study 20 pulsatile laminar flows (stroke volumes 30 to 70 mL and peak flow rates 65 to 205 mL/s) in a curved tube model with an oval cross-sectional geometry. After generation of the color 3D data set, flow velocity values from cross sections perpendicular to the tubes were analyzed to determine flow rate and stroke volume. RESULTS: The flows from 3D digital velocity profiles showed close correlation with peak instantaneous flow rates (r = 0.99, y = 1.01x-0.9, standard error of estimate 4.1 mL/s). When interpreted with pulsed wave Doppler data obtained through the cardiac cycle, they also allowed computation of stroke volume (r = 0.98, y = 1.44x-2.5, standard error of estimate 3.8 mL). CONCLUSION: The ability to compute laminar flows from 3D digital data sets obtained parallel to the direction of flow and without the need for geometric assumptions represents an important opportunity for and advantage of 3D color Doppler echocardiography.

Coronary Vessels↗

Computer-assisted method for the analysis of postprandial gastrointestinal motility in conscious dogs.

A fully automated system to quantify different parameters of gastrointestinal motility and gastroduodenal co-ordination in conscious dogs was designed and built around a personal technical computer (HP 9816). Online it performs sampling of contractions on four different sites of the digestive tract for two dogs simultaneously, data reduction, drift correction and storage of data on hard disk. Offline it performs baseline determination, peak detection, calculation of motility parameters such as amplitude and interval, plus co-ordination between gastric and duodenal motility and presentation of the results in both tabular and graphic form. To illustrate the possibilities and advantages of the computer analysis the early postprandial motor patterns for antrum, duodenum and jejunum were quantified during the first hour after administration of a small test meal.

Animals↗

A simple method for computing airway resistance and specific airways conductance from scalar plethysmographic recordings.

An alternative procedure to evaluate plethysmographic tracings is described for the determination of airway resistance (Raw) and specific airway conductance (SGaw). Raw and SGaw obtained with this method reflect the average resistive impedance over one breathing cycle. Although both work and apparative expenditures are minimal, the results are well comparable with those calculated with more involved methods. The technique is particularly well suited for patients with impaired cooperation since SGaw can be determined without measuring the intrathoracic gas volume.

Airway Resistance↗

PSORT-B: Improving protein subcellular localization prediction for Gram-negative bacteria.

Automated prediction of bacterial protein subcellular localization is an important tool for genome annotation and drug discovery. PSORT has been one of the most widely used computational methods for such bacterial protein analysis; however, it has not been updated since it was introduced in 1991. In addition, neither PSORT nor any of the other computational methods available make predictions for all five of the localization sites characteristic of Gram-negative bacteria. Here we present PSORT-B, an updated version of PSORT for Gram-negative bacteria, which is available as a web-based application at http://www.psort.org. PSORT-B examines a given protein sequence for amino acid composition, similarity to proteins of known localization, presence of a signal peptide, transmembrane alpha-helices and motifs corresponding to specific localizations. A probabilistic method integrates these analyses, returning a list of five possible localization sites with associated probability scores. PSORT-B, designed to favor high precision (specificity) over high recall (sensitivity), attained an overall precision of 97% and recall of 75% in 5-fold cross-validation tests, using a dataset we developed of 1443 proteins of experimentally known localization. This dataset, the largest of its kind, is freely available, along with the PSORT-B source code (under GNU General Public License).

Bacterial Proteins↗