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PubMed2003

Determination of lanthanides in synthetic standards by reversed-phase high-performance liquid chromatography with the aid of a weighted least-squares regression model estimation of method sensitivities and detection limits.

A reversed-phase liquid chromatography method was used for determining lanthanides in synthetic standards. The separation of lanthanide group was achieved in less than 15 min using a linear gradient program of alpha-hydroxyisobutyricacid eluent from 0.05 to 0.5 M (pH 3.8) with a UV-Vis detection system at 658 nm. A post-column reagent of Arsenazo III was employed for improving the sensitivity and selectivity of the method as well as for lowering the limits of detection (LODs). Linear calibration curves for all lanthanides were constructed using an ordinary least-squares (OLS) regression as well as a weighted least-squares (WLS) regression model for taking into account the heteroscedastic errors. The WLS model was successfully used for a better estimation of the sensitivities and the LODs of the RP-HPLC method than the conventional OLS model. The lanthanide sensitivity obtained from the slope of each calibration curve seems to be better for a lanthanide with an odd-atomic number compared to its neighboring element with an even-atomic number, as if nature is helping us to quantify the concentrations of the less abundant lanthanides. This observation was also confirmed when the LODs computed for all lanthanides were examined. The LODs observed for all lanthanides depicted a clear systematic "zigzag" pattern. This is actually the first time that the lanthanide detection limits determined by a HPLC method are shown to mimic the zigzag patterns for the concentration data in geological and cosmological materials. Such a "zigzag" pattern should be used as a standard criterion for evaluating the quality of detection limit data.

Chromatography, High Pressure Liquid↗
PubMed1999

Comparison of performance with wide dynamic range compression and linear amplification.

This study compared subject performance and preference using a compression-limiting hearing aid set to linear amplification (program 1) and wide dynamic range compression (WDRC, program 2). The frequency responses of the hearing aid were matched to a 65 dB SPL signal and maximum output to a 90 dB SPL signal. Twenty subjects with moderate to moderately severe sensorineural hearing loss were tested. Speech recognition scores and speech reception thresholds were obtained both in quiet and in noise. Subjective preference for WDRC or linear amplification was measured via a paired-comparison procedure on "loudness appropriateness," "clarity," and "pleasantness" to continuous discourse presented in quiet and in noise. Results suggested that WDRC yielded better speech intelligibility in quiet for low-level signals and no difference in speech intelligibility in noise compared to linear amplification. Subjects preferred WDRC for loudness to both high- and low-level signals and for pleasantness to high-level signals.

Adolescent↗
PubMed1993

The position end-set tree: a small automaton for word recognition in biological sequences.

We consider the basic function which locates a specific string of symbols within a longer sequence. When one is expecting to do many substring searches it is worthwhile to build an auxiliary index to the sequence to aid in the search. We propose a method to generate a compact index that can be viewed as a small (partial) deterministic finite automaton recognizing the subword structure of a sequence. We present an algorithm for its construction on-line in linear time. Such a data structure permits the efficient localization of subwords in a sequence and can be used in the development of interactive sequence analysis software.

Algorithms↗
PubMed2005

Prediction of permeability coefficients of compounds through caco-2 cell monolayer using artificial neural network analysis.

Artificial neural network (ANN) analysis was used to predict the permeability of selected compounds through Caco-2 cell monolayers. Previously reported models, which were shown to be useful in the prediction of permeability values, use many structural parameters. More complex equations have also been proposed using both linear and non-linear relationships, including ANN analysis and various structural parameters. But proposed models still need to be developed using different neuron patterns for more precise predictions and a better understanding of which factors affect the permeation. To develop a simple and useful model or method for easy prediction is also a general need. Permeability coefficients (log kp) were obtained from various literature sources. Some structural parameters were calculated using computer programs. Multiple linear regression analysis (MLRA) was used to predict Caco-2 cell permeability for the set of 50 compounds (r2=0.403). A successful ANN model was developed, and the ANN produced log kp values that correlated well with the experimental ones (r2=0.952). The permeability of a compound, famotidine, which has not previously been studied, through the Caco-2 cell monolayer was investigated, and its permeability coefficient determined. It was then possible to compare the experimental data with that predicted using the trained ANN with previously determined Caco-2 cell permeability values and structural parameters of compounds. The model was also tested using literature values. The developed and described ANN model in this publication does not require any experimental parameters; it could potentially provide useful and precise prediction of permeability for new drugs or other penetrants.

Algorithms↗
PubMed2000

Factors influencing a communitywide campaign to administer hepatitis A vaccine to men who have sex with men.

OBJECTIVES: A hepatitis A outbreak among men who have sex with men (MSM) led to a publicly funded vaccination campaign. We evaluated the MSM community's response. METHODS: A cohort of MSM from 5 community sites was surveyed. RESULTS: Thirty-four (19%) of 178 potential vaccine candidates received the vaccine during the campaign. We found a linear relation between the number of exposures to campaign information and the likelihood of vaccination (P < .001). Vaccination was independently associated with awareness of the outbreak and the vaccine, having had sexual relations with men for 12 years or longer, having recently consulted a physician, and routinely reading a local gay newspaper. CONCLUSIONS: The difficult task of vaccinating MSM can be aided by repetitive promotional messages, especially via the gay media.

Adult↗
PubMed1999

Solving large mixed linear models using preconditioned conjugate gradient iteration.

Continuous evaluation of dairy cattle with a random regression test-day model requires a fast solving method and algorithm. A new computing technique feasible in Jacobi and conjugate gradient based iterative methods using iteration on data is presented. In the new computing technique, the calculations in multiplication of a vector by a matrix were recorded to three steps instead of the commonly used two steps. The three-step method was implemented in a general mixed linear model program that used preconditioned conjugate gradient iteration. Performance of this program in comparison to other general solving programs was assessed via estimation of breeding values using univariate, multivariate, and random regression test-day models. Central processing unit time per iteration with the new three-step technique was, at best, one-third that needed with the old technique. Performance was best with the test-day model, which was the largest and most complex model used. The new program did well in comparison to other general software. Programs keeping the mixed model equations in random access memory required at least 20 and 435% more time to solve the univariate and multivariate animal models, respectively. Computations of the second best iteration on data took approximately three and five times longer for the animal and test-day models, respectively, than did the new program. Good performance was due to fast computing time per iteration and quick convergence to the final solutions. Use of preconditioned conjugate gradient based methods in solving large breeding value problems is supported by our findings.

Algorithms↗
PubMedDate not supplied

[Evaluation of the effects of biological and clinical factors on plutonium excretion in man].

The values of the natural urine excretion coefficient in 84 workers have been received. The observations were ranging from 1970 to 1984. To analyse this data the references about radiobiological, medical, anthropometrical and other factors which potentially influence osteotropic radionuclide excretion in man and animals have been studied. By means of linear regression (program KWAZAR) it was confirmed that 6 factors including liver and heart diseases were important. Mathematical description of this results is suggested.

Adult↗
PubMed2000

Association between basal serum and leptin levels and changes in abdominal fat distribution during weight loss.

The aim of this study was to evaluate the relationship between changes in abdominal fat areas and the baseline serum leptin levels of Japanese obese women during weight reduction. The study was performed on 100 obese female Japanese volunteers. We measured the BMI and abdominal fat areas (visceral, subcutaneous and total) by magnetic resonance imaging and determined the fasting serum leptin levels before and after a 3 month weight reduction program. We examined whether or not a relationship exists between the baseline leptin levels and the subsequent changes in the abdominal fat areas after a weight reduction program. Multiple linear regression analysis was performed to examine the relationship between the baseline leptin levels and changes in abdominal visceral, subcutaneous, and total fat areas, and demonstrated that the baseline leptin level was a significant predictive factor for changes in the abdominal visceral fat area in both pre and postmenopausal Japanese obese women. We thus concluded the relatively higher baseline leptin levels in Japanese obese women to be associated with a relatively smaller reduction in the amount of abdominal visceral fat after undergoing a weight reduction program.

Abdomen↗
PubMed2004

SS-Wrapper: a package of wrapper applications for similarity searches on Linux clusters.

BACKGROUND: Large-scale sequence comparison is a powerful tool for biological inference in modern molecular biology. Comparing new sequences to those in annotated databases is a useful source of functional and structural information about these sequences. Using software such as the basic local alignment search tool (BLAST) or HMMPFAM to identify statistically significant matches between newly sequenced segments of genetic material and those in databases is an important task for most molecular biologists. Searching algorithms are intrinsically slow and data-intensive, especially in light of the rapid growth of biological sequence databases due to the emergence of high throughput DNA sequencing techniques. Thus, traditional bioinformatics tools are impractical on PCs and even on dedicated UNIX servers. To take advantage of larger databases and more reliable methods, high performance computation becomes necessary. RESULTS: We describe the implementation of SS-Wrapper (Similarity Search Wrapper), a package of wrapper applications that can parallelize similarity search applications on a Linux cluster. Our wrapper utilizes a query segmentation-search (QS-search) approach to parallelize sequence database search applications. It takes into consideration load balancing between each node on the cluster to maximize resource usage. QS-search is designed to wrap many different search tools, such as BLAST and HMMPFAM using the same interface. This implementation does not alter the original program, so newly obtained programs and program updates should be accommodated easily. Benchmark experiments using QS-search to optimize BLAST and HMMPFAM showed that QS-search accelerated the performance of these programs almost linearly in proportion to the number of CPUs used. We have also implemented a wrapper that utilizes a database segmentation approach (DS-BLAST) that provides a complementary solution for BLAST searches when the database is too large to fit into the memory of a single node. CONCLUSIONS: Used together, QS-search and DS-BLAST provide a flexible solution to adapt sequential similarity searching applications in high performance computing environments. Their ease of use and their ability to wrap a variety of database search programs provide an analytical architecture to assist both the seasoned bioinformaticist and the wet-bench biologist.

Algorithms↗
PubMed2001

Effects of a community-based lifestyle-modification program on cardiovascular risk factors in middle-aged women.

We investigate the effectiveness of a community-based lifestyle-modification program for reducing blood pressure and other cardiovascular risk factors in sedentary Japanese middle-aged women. Among an initial cohort of 210 middle-aged sedentary women, 195 subjects completed a community-based 12-week lifestyle-modification program for reducing cardiovascular risk factors. Blood pressure, body weight and the serum lipid profile were measured both at baseline and at the end of the 12-week lifestyle-modification program. The program consisted of mild aerobic exercise and a mild hypocaloric diet. After the 12-week program, both systolic and diastolic blood pressure were significantly reduced, especially in subjects who were hypertensive at baseline. Desirable changes in body weight and the serum lipid profile were also found after the 12-week program. Multiple linear regression analysis revealed that, in obese subjects, the decrease in systolic blood pressure was correlated with both the initial systolic blood pressure and the change in estimated maximum oxygen consumption. In addition, the decrease in diastolic blood pressure was correlated with the initial diastolic blood pressure and the change in body weight. On the other hand, in non-obese subjects, the decrease in blood pressure was correlated with the initial blood pressure and the change in salt intake. A community-based lifestyle-modification program that consisted of mild aerobic exercise and a mild hypocaloric diet was considered to be practically effective for reducing multiple cardiovascular risk factors. Individuals who already have one or more mild cardiovascular risk factors still could be good candidates for a community-based lifestyle-modification program.

Blood Pressure↗
PubMed1997

[Determination of amino acids by precolumn derivatization with o-phthaldialdehyde (OPA) and reversed-phase high performance liquid chromatography].

A manual pre-column derivatization procedure has been developed for the determination of amino acids in sample by reversed-phase high performance liquid chromatography. OPA/3-mercaptopropionic acid (3-MPA) were used as derivatization reagents and separation of OPA-amino acids derivatives was performed on a 5 microm partical-size ODS column. A phosphate buffer of 10 mmol/L pH 7.2 (PB) containing 0.3% tetrahydrofuran (THF) was used as mobile phase (A) and a mixture of PB-methanol-acetonitrile (50:35:15) as mobile phase (B). A single linear gradient program was employed and the signals were detected at 340 nm with UV detector. Under the above conditions all 18 amino acids in standard solution were separated to baseline in 40 minutes. The precision of analysis was observed from the reproducibility of the retention times and peak areas of eight consecutive injections of 18 amino acids standard solution and the results showed that both retention times and peak areas were highly reproduceable with the RSD 0.09%-0.48% for retention times and 1.2%-4.9% for peak areas. The linearity of UV response was tested by injecting of derivatized amino acid with different concentrations from 25 to 250 micromol/L for each of 18 amino acids. The r values were 0.996-0.999. External standardization method was used for the quantitation. The method was applied to analyze amino acid composition of bovine serum albumin (BSA) and the results were in consistence with literature values. Free amino acids in rat plasma were also determined and good results were obtained.

3-Mercaptopropionic Acid↗
PubMedDate not supplied

Use of linear models to analyze physicians' decisions.

Linear models of judgment are powerful tools for studying medical decision making. The recent increase in applications of these models to medicine reflects more available computing resources and the parallel development of clinical prediction rules derived from multivariate analysis of patient data. Psychological research into expert and novice decision making shows that linear models derived from judges' decisions usually predict future decisions more accurately than either the judge or a mechanical application of the judge's stated policies. Studies of medical decision making have shown similar results, as well as marked variation among experts in how they appear to use clinical information. Cognitive feedback, which is feedback to the learner of the judgment model derived from previous decisions, is highly effective for teaching complex judgment tasks. Many technical problems remain to be mastered in constructing linear models of medical judgment. These include how to select the correct variables, how to provide a selection of variables broad enough to accommodate individual variations in strategy, how to model intercorrelated variables, and how to characterize and aggregate individual strategies. Despite the methodologic challenges, linear models remain a powerful method for studying how physicians combine multiple items of imperfect information to make a judgment. These techniques may provide important insights into variation in physician judgments. In addition, they hold promise in teaching the appropriate integration of complex data in the day-to-day practice of medicine.

Cues↗
PubMed1988

Comparison of methods of carbamazepine dosage, individualization in epileptic patients.

The aim of the present work was to analyse the predictive capacity of different optimization methods for carbamazepine dosage regimens according to population pharmacokinetic parameters and/or serum levels data. Calculations were performed using a multiple non-linear regression program (MULTI 2 BAYES) with two different options: (a) using the ordinary least squares methods and (b) the least squares method based on the Bayesian algorithm. The predictive capacity of the three methods was analysed comparing the serum levels values in patients predicted by each method and those observed later. The performance obtained was poor and even unacceptable when dosage prediction was based on the mean parameters of the population studied (Method A) and when only one data point relating to the serum carbamazepine levels was available (Method B). When two serum levels data were used the standard deviation of the mean prediction error was only clinically acceptable when Bayesian non-linear regression was applied (Method C). When the number of serum levels data points was 3 or 4 the errors were acceptable from a clinical point of view and no significant differences could be found between the use of the simple and Bayesian version at the same level of information.

Adolescent↗
PubMed2003

Liquid chromatographic-atmospheric pressure chemical ionization mass spectrometric analysis of opiates and metabolites in rat urine after inhalation of opium.

To examine the urinary excretion of opiates and their metabolites following inhalation exposure of rats to opium, analytical procedures for the simultaneous determination of the compounds in opium, the vapor derived by the volatilization of opium and the urine of rats exposed to the opium vapor were developed using liquid chromatography-atmospheric pressure chemical ionization mass spectrometry (LC-APCI-MS). Seven compounds were determined in the opium, namely morphine, codeine, thebaine, noscapine, papaverine, meconic acid and meconin. All seven were extracted with 2.5% acetic acid solution and subjected to LC-APCI-MS analysis. The separation was performed on an ODS column in acetonitrile-50 mM ammonium formate buffer (pH 3.0) using a linear gradient program and quantitative analysis was carried out in the selected ion monitoring mode ([M+H](+)). For the analysis of the volatilization of opium, the opium (1 g) was added to a glass pipe, which was then heated at 300 degrees C for 20 min. Negative pressure (air flow-rate; 300 ml/min) was used to draw the vapor through a series of glass wool and methanol traps. The total amount of each compound in the vapor was estimated by measurement of the compounds trapped in the glass wool and methanol. Wister rats (n=3) were exposed to the vapor derived from the volatilization system and the urinary amounts (0-72 h) of the six opiates and metabolites including morphine-3-grucronide (M3G) and morphine-6-grucronide (M6G) were measured after solid-phase extraction. The calibration curves for those compounds in the rat urine were linear over the concentration range 10-500 ng/ml. The recoveries for each analyte from the rat urine sample spiked with standard solution were generally greater than 80%, and the relative standard deviation for the analytical procedure was less than 8% with the exception of meconin. After inhalation exposure of rats to opium, M3G (5.45-14.38 micro g), morphine (2.27-4.65 micro g), meconin (0.54-1.85 micro g), codeine (0.54-1.85 micro g), noscapine (0.34-0.40 micro g) and papaverine (0.01-0.04 micro g) were detected in the urine over 72 h. However, only trace levels of thebaine were observed despite it being one of the major alkaloids found in the opium. On the other hand, a relatively large amount of meconin was detected in the vapor and the urine as compared with the opium. It is suggested that the presence of meconin in biological fluids could be indicative of opium ingestion by inhalation.

Administration, Inhalation↗
PubMedDate not supplied

Ceforanide pharmacokinetics in haemodialysis: the effect of ultrafiltration.

The kinetics of ceforanide in plasma and dialysate was studied in 8 patients with terminal renal impairment after undergoing haemodialysis sessions lasting between 4 and 5 h. All patients received a single i.v. dose of 15 mg kg-1 of the drug at the start of the session. The dialysers used in this study were Spiraflow capillar 1.3 m2, Travenol plates 1.4 m2, and PAN plates. Blood flow ranged between 200 and 300 ml min-1 and dialysate flow between 500-650 ml min-1. Plasma ceforanide levels were measured at the input and output of the dialyser and the antibiotic levels in dialysate were determined coinciding with the withdrawal times of the blood samples. A microbiologic plate diffusion method was used to determine the antibiotic concentrations. The mean values of some pharmacokinetic parameters of ceforanide calculated with a non-linear regression program from the data obtained from arterial blood were the following: alpha (h-1) = 4.14 +/- 1.32; beta (h-1) = 0.26 +/- 0.07; t1/2 beta (h) = 2.82 +/- 0.82; Vdss (1) = 10.24 +/- 2.14. From the relationships between the antibiotic concentrations at the input and output of the dialyser it was possible to calculate an extraction coefficient of 0.11 +/- 0.06. The dialysis clearance of ceforanide was calculated from the determination of the extraction coefficient and from the measuring of antibiotic in dialysate, though different results were obtained with the two methods. Dialysis clearance calculated from the extraction coefficient showed a mean value of 18.68 +/- 12.16 ml min-1, significantly lower (p less than 0.01) than that established by analysis of the antibiotic in dialysate, which was 41.55 +/- 15.83 ml min-1. These differences may be attributed to problems related to the determination of blood flow and to the ultrafiltration capacity of the dialysis membranes. A linear relationship was established between the percentage error in the observed and predicted extraction coefficients and the ultrafiltration rate. The results obtained suggest that the simultaneous measurement of the antibiotic in plasma and dialysate is the most suitable method for predicting the dialysis clearance of the drug. The amount of antibiotic extracted over a 4-hour dialysis session proved to be equal to 57.85 +/- 15.62 per cent of the dose administered.

Adult↗
PubMed2003

A simple procedure to weight empirical potentials in a fitness function so as to optimize its performance in ab initio protein-folding problem.

In an approach to the protein folding problem by a Genetic Algorithm, the fitness function plays a critical role. Empirical potentials are generally used to build the fitness function, and they must be weighted to obtain a valuable one. The weights are generally found by the comparison with a set of misfolded structures (decoys), but a dependence of the obtained fitness generally arises on the used decoys. Here we describe a general procedure to find out, from a given set of potentials, their better linear combination that could either identify the wild structure or prove their powerlessness. We use topological considerations over the hyperspace of the potentials, and a multiple linear inequalities solver. The iterated method flows through the following steps: it determines a direction in the hyperspace of the potentials, which identifies the native structure as a vertex among a set of misfolded decoys. A multiple linear inequalities solver obtains the direction. A Genetic Algorithm, tailored to the specific problem, uses the fitness function defined by this direction and generally reaches a new structure better than the experimental one, which is added to the ensemble. The decoys so generated are not dependent on a deterministic criterion. This iterative procedure can be stopped either by identifying an effective fitness function or by proving the impossibility of its achievement. In order to test the method under the hardest conditions, we choose numerous and heterogeneous quantities as components of the fitness function. This method could be a useful tool for the scientific community in order to test any fitness proposed and to recognize the most important components on which it is built.

Algorithms↗
PubMed2006

Investigating the aetiology of and evaluating the impact of the Men C vaccination programme on probable meningococcal disease in England and Wales.

The aims were to (1) investigate the aetiology of probable meningococcal disease, where a clinical diagnosis is made in the absence of laboratory data, and (2) evaluate the impact of the Men C vaccination programme in England and Wales. Multiple linear regression analyses were carried out using data reported to Enhanced Surveillance of Meningococcal Disease (ESMD) and laboratory reports of isolates of organisms causing symptoms that mimic meningococcal disease. Confirmed meningococcal disease appeared to be a significant predictor of probable disease. Thus, an additional reduction in meningococcal disease attributable to the serogroup C vaccination campaign was evident in probable disease over and above that observed in confirmed cases alone. Enteroviruses were a significant contributor to cases of probable meningitis and influenza appeared to be a significant contributor to probable cases of septicaemia. This analysis confirms the success seen following the Men C vaccination campaign and gives an indication of the aetiologies of other causes of probable meningitis and septicaemia reported to ESMD.

Adolescent↗
PubMed2006

Phenomenological modelling of some mechanisms in schizophrenia.

The paper shows how mechanisms being important factors in the development and treatment of schizophrenia can be modelled in terms of differential equations in order to understand better the interplay of these mechanisms. As an example, the nigrostriatal loop is chosen which is an essential part of the basic model presented by Carlsson. In the beginning, piecewise linear functions are used to demonstrate the mathematical procedures and to show that even such approximations can explain qualitative features. This is the case in particular in the neighbourhood of the operating point, which is shown to be an adequate concept in a situation of missing data on all complicated details. The simplified picture can be improved step by step. For instance, we calculate the occupation of receptors by dopamine and other ligands, and show how the operating point varies between healthy persons and schizophrenics (without and with neuroleptics). Different causes of the hypoactivity of striatal output can be discussed. That the modelling methods presented here can be applied to mechanisms in the mesoaccumbal system and in the cortex as well shall be shown in a forthcoming paper.

Antipsychotic Agents↗