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At least 19 recordsLinked to original sources
PubMed2001

Is calculating pack-years retrospectively a valid method to estimate life-time tobacco smoking? A comparison between prospectively calculated pack-years and retrospectively calculated pack-years.

AIMS: To investigate the relative validity of retrospectively calculated pack-years (py-retro) by comparing py-retro with prospectively calculated pack-years (py-pro). DESIGN: A 23-year ongoing cohort study (1977-2000). PARTICIPANTS: One hundred and fifty-four males and females, 13 years old in 1977 and 36 years old in 2000. SETTING: Amsterdam, the Netherlands. MEASUREMENTS: To calculate py-pro, current smoking and quitting efforts were investigated nine times in a period of 23 years with the help of an interview or a questionnaire. At the age of 36, subjects filled out a comprehensive questionnaire about their smoking history, to calculate py-retro. Individual differences between py-pro and py-retro were calculated. In addition, Cohen's kappa was calculated after categorising py-pro and py-retro into three groups. FINDINGS: (1) Py-retro does not under- or overestimate life-time tobacco smoking. (2) The relative validity of py-retro was moderate due to large individual differences between py-pro and py-retro. (3) The individual differences between py-pro and py-retro became larger, the higher the number of pack-years. (4) Mean difference (and 95% limits of agreement) between py-pro and py-retro was -0.039 (-5.23, 5.32) when average pack-years was < 5.2 and -1.17 (-10.00, 14.65) when pack-years > or = 5.2. 5. Cohen's kappa between categorized py-pro and py-retro was 0.79. CONCLUSIONS: Future researchers in the field of smoking should be aware of the moderate relative validity of py-retro. Categorizing py-retro into smoking groups results in a misclassification error that is smaller than the quantitative error in continuous py-retro, but goes together with a loss of information.

Adolescent↗
PubMed1997

Calculation of pathways for the conformational transition between the GTP- and GDP-bound states of the Ha-ras-p21 protein: calculations with explicit solvent simulations and comparison with calculations in vacuum.

The transitions between the water-equilibrated structures of the GTP and GDP forms of Ha-ras-p21 have been calculated by using the targeted molecular dynamics (TMD) method (Schlitter et al., Mol. Sim. 10:291-309, 1993) both in vacuo and with explicit solvent simulation. These constrained molecular dynamics calculations result in different pathways, depending on the nucleotide bound. Each pathway consists in a sequence of transitions affecting six segments of the protein, four of them forming a hydrophilic cleft around the nucleotide. The transitions are initiated by the removal or introduction of the gamma-phosphate of the nucleotide and proceed sequentially, crossing several low-energy transition states. The movements are transmitted either by direct interactions between the segments or through the nucleotide. The GTP to GDP pathway is initiated by the removal of the nucleotide gamma-phosphate. This gives some space to Gly12, Gly13, and Val14. Their movement is transmitted to the target recognition domain and the switch II region, forcing these segments to adopt another position. In a second step the target recognition domain and the switch II region undergo conformational transitions to reach an intermediate conformation. Finally, there is a relaxation of the target recognition domain to its final state that forces the switch II region to reach its target conformation. The calculated pathways allow the identification of many residues that play an important role in the conformational changes, explain the altered transformation properties of some, and suggest mutations to alter the pathway.

Cations, Divalent↗
PubMed2006

[Three-dimensional dose calculation of 153Sm-EDTMP in treating bone metastasis--comparison of Monte Carlo and S value calculation methods].

BACKGROUND & OBJECTIVE: Three-dimensional (3D) dose calculation of radionuclide therapy for specified patients is a research interest in nuclear medicine, of which the main methods include S value calculation method, dose point kernel calculation method, and Monte Carlo (MC) simulation method. This study was to compare 3D absorbed dose calculation of 153Sm-EDTMP in treating a specified patient with bone metastasis between MC and S value methods. METHODS: A 3D dose calculation program was built based on the MC program EGS4, and the S value of nuclide 153Sm was calculated. For the specified patient with bone metastasis, 153Sm activity in excreted urine was measured at 0, 0.5, 2, 3.5, 5 and 6 h after injection of 153Sm-EDTMP. The accumulative activity is calculated by fitting measurement data. Based on the fusion SPECT/CT images of the patient, 3D absorbed dose is calculated by MC and S value methods. RESULTS: The iso-dose distribution curves of MC and S value calculation results were similar, and the dose was mainly collected in the bone. According to the 2 methods, the maximum doses were 3.92 Gy and 3.71 Gy with a difference of 5%. On the dose-volume histogram of the calculation volume, D10 (the highest dose of the 10% volume) were 2.14 Gy and 2.00 Gy with a difference of 7%; D20 (the highest dose of the 20% volume) were 0.58 Gy and 0.51 Gy with a difference of 14%. In general, the data of S value calculation were smaller than the data of MC calculation. CONCLUSIONS: MC and S value could be used to calculate the 3D dose of radionuclide therapy based on nuclear medical image. S value is a fast and simple method for the dose evaluation although the error of the calculation is relatively bigger.

Bone Neoplasms↗
PubMed2002

Comparison of estimates and calculations of risk of coronary heart disease by doctors and nurses using different calculation tools in general practice: cross sectional study.

OBJECTIVE: To assess the effect of using different risk calculation tools on how general practitioners and practice nurses evaluate the risk of coronary heart disease with clinical data routinely available in patients' records. DESIGN: Subjective estimates of the risk of coronary heart disease and results of four different methods of calculation of risk were compared with each other and a reference standard that had been calculated with the Framingham equation; calculations were based on a sample of patients' records, randomly selected from groups at risk of coronary heart disease. SETTING: General practices in central England. PARTICIPANTS: 18 general practitioners and 18 practice nurses. MAIN OUTCOME MEASURES: Agreement of results of risk estimation and risk calculation with reference calculation; agreement of general practitioners with practice nurses; sensitivity and specificity of the different methods of risk calculation to detect patients at high or low risk of coronary heart disease. RESULTS: Only a minority of patients' records contained all of the risk factors required for the formal calculation of the risk of coronary heart disease (concentrations of high density lipoprotein (HDL) cholesterol were present in only 21%). Agreement of risk calculations with the reference standard was moderate (kappa=0.33-0.65 for practice nurses and 0.33 to 0.65 for general practitioners, depending on calculation tool), showing a trend for underestimation of risk. Moderate agreement was seen between the risks calculated by general practitioners and practice nurses for the same patients (kappa=0.47 to 0.58). The British charts gave the most sensitive results for risk of coronary heart disease (practice nurses 79%, general practitioners 80%), and it also gave the most specific results for practice nurses (100%), whereas the Sheffield table was the most specific method for general practitioners (89%). CONCLUSIONS: Routine calculation of the risk of coronary heart disease in primary care is hampered by poor availability of data on risk factors. General practitioners and practice nurses are able to evaluate the risk of coronary heart disease with only moderate accuracy. Data about risk factors need to be collected systematically, to allow the use of the most appropriate calculation tools.

Community Health Nursing↗
PubMed2005

Comparison of measured oxyhemoglobin saturation and oxygen content with analyzer-calculated values and hand-calculated values obtained in unsedated healthy dogs.

OBJECTIVE: To compare direct measurements of canine oxyhemoglobin (HbO2) saturation and blood oxygen content (ContO2) in healthy dogs with analyzer-calculated values derived by use of a human HbO2 relationship and with hand-calculated values derived by use of a canine HbO2 relationship. ANIMALS: 17 healthy dogs. PROCEDURE: 3-mL samples of heparinized arterial and jugular venous blood were collected from each dog. The pH, Pco2, Po2, hemoglobin, HbO2, carboxyhemoglobin, methemoglobin, and ContO2 were measured; HbO2 and ContO2 were calculated automatically by analyzers and also hand-calculated. Blood gas analyzer-calculated and hand-calculated HbO2 values were compared with co-oximeter-measured HbO2 values. Analyzer-calculated and hand-calculated ContO2 values were compared with oxygen content analyzer-measured values. RESULTS: Hand-calculated HbO2 values for arterial and jugular venous samples were slightly but significantly lower than those calculated by a blood gas analyzer or obtained from a co-oximeter. Hand-calculated and analyzer-calculated arterial and venous ContO2 were similar to measured values. CONCLUSIONS AND CLINICAL RELEVANCE: Although certain HbO2 and ContO2 values generated by use of the different methods were significantly different, these differences are unlikely to be clinically important in healthy dogs.

Animals↗
PubMed2000

Normal tissue complication probability (NTCP) calculations as a means to compare proton and photon plans and evaluation of clinical appropriateness of calculated values.

Calculation of normal tissue complication probabilities (NTCP) for proton radiation therapy (PRT) and two photon radiation therapy techniques for cranial irradiation of childhood optic nerve gliomas was made. Evaluation of usefulness of calculated NTCP values for comparison of treatment plans and clinical appropriateness of computed data was used. Three radiation plans were calculated on datasets of children treated previously for optic nerve gliomas with PRT. Dose-volume histograms (DVH) were computed and used to calculate NTCP. Evaluated complication endpoints were necrosis, blindness, and cognitive impairment. Calculated NTCP depended strongly on tumor volume and the normal tissue volume exposed to high radiation doses. Dose conformity and steeper dose-gradient correlated with reduced NTCP. Regarding the chosen complication endpoints, PRT was superior to 3D photons; conventional photons were calculated to have the highest NTCPs. Differences might reach clinical significance for cognitive impairment, a frequently observed toxicity. Calculated NTCP values were highly dependent on implemented clinical data. Calculation of NTCP can be used for ranking of treatment plans and modalities. Highly dependent on implemented clinical data, the calculated percentage of NTCP might be more of a figure of merit than a real predictive value and requires comparison to clinical experience. Int. J. Cancer (Radiat. Oncol. Invest.) 90, 351-358 (2000).

Child↗
PubMed1982

Integrated calculator programs for pharmacokinetic calculations.

A package of integrated programs for calculating pharmacokinetic variables and drug-dosing regimens using a hand-held programmable calculator is described. Twelve pharmacokinetic programs, which were based on previously published pharmacokinetic equations, were developed for use in a HP-41C hand-held calculator (Hewlett-Packard). The programs perform, pharmacokinetic calculations for many drugs, including digoxin, theophylline, phenytoin, nd the aminoglycosides. Also programs for ideal body weight, body surface area, and creatinine clearance calculations are included. Eleven of the 12 programs can be stored in the calculator at any time. Values generated in one program are stored in memory registers and can be recalled directly for use in other programs. The calculator has a continuous memory; therefore, all stored data, programs, and functions are maintained when the calculator is turned off. The integrated calculator programs provide a quick and reliable means of applying pharmacokinetic principles to everyday hospital pharmacy practice.

Computers↗
PubMed2002

Acceleration of intensity-modulated radiotherapy dose calculation by importance sampling of the calculation matrices.

In inverse planning for intensity-modulated radiotherapy, the dose calculation is a crucial element limiting both the maximum achievable plan quality and the speed of the optimization process. One way to integrate accurate dose calculation algorithms into inverse planning is to precalculate the dose contribution of each beam element to each voxel for unit fluence. These precalculated values are stored in a big dose calculation matrix. Then the dose calculation during the iterative optimization process consists merely of matrix look-up and multiplication with the actual fluence values. However, because the dose calculation matrix can become very large, this ansatz requires a lot of computer memory and is still very time consuming, making it not practical for clinical routine without further modifications. In this work we present a new method to significantly reduce the number of entries in the dose calculation matrix. The method utilizes the fact that a photon pencil beam has a rapid radial dose falloff, and has very small dose values for the most part. In this low-dose part of the pencil beam, the dose contribution to a voxel is only integrated into the dose calculation matrix with a certain probability. Normalization with the reciprocal of this probability preserves the total energy, even though many matrix elements are omitted. Three probability distributions were tested to find the most accurate one for a given memory size. The sampling method is compared with the use of a fully filled matrix and with the well-known method of just cutting off the pencil beam at a certain lateral distance. A clinical example of a head and neck case is presented. It turns out that a sampled dose calculation matrix with only 1/3 of the entries of the fully filled matrix does not sacrifice the quality of the resulting plans, whereby the cutoff method results in a suboptimal treatment plan.

Algorithms↗
PubMed1982

Program for aminoglycoside dosage calculations using an inexpensive calculator.

A program for gentamicin and tobramycin dosage calculations using a pocket-size programmable calculator was developed and evaluated. A program based on the first-order one-compartment pharmacokinetics model for aminoglycoside dosage calculations was developed for the Sharp EL-5813 pocket-size calculator, which can store 30 programming steps and has six constant memories. (The program also can be used in other calculators with similar capabilities.) The programming steps and operational procedures for calculating loading and maintenance doses, steady-state peak and trough concentrations, the patient's elimination constant, creatinine clearance, and volume of distribution are presented. The program was evaluated by comparing predicted and observed steady-state peak and trough concentration for 24 patients receiving gentamicin therapy. There was a significant relationship between predicted and observed peak and trough plasma concentrations. The mean time required to program the calculator was less than 30 seconds, and the mean time required for each dosage and plasma-concentration calculation was approximately 2.5 minutes. The program provides a simple method to make aminoglycoside dosage recommendations and predictions of peak and trough plasma concentrations with acceptable accuracy.

Aminoglycosides↗
PubMed1991

Improved speed and accuracy of calculations with a programmable calculator in pediatric emergency scenarios.

Both mathematical and selection errors may occur when ordering drug or fluid therapy in a busy emergency department. In an attempt to improve the speed and accuracy of such calculations, we programmed a hand-held calculator to assist in drug and intravenous fluid therapy dosages and rates for three emergency situations: diabetic ketoacidosis, asthma, and asystole. Performance by 58 subjects at various levels of training was compared when using either the programmable calculator or standard materials and methods. When standard methods were used, an average of 30.6 minutes was needed to complete the three scenarios, with an accuracy of 73%; by contrast, use of programmable calculator resulted in a significant decline in time needed to calculate doses (an average of only 8.5 minutes), with an improved accuracy of 98%. The use of a programmable calculator can result in a significant improvement in both speed and accuracy of drug and fluid selection and dosage and rate calculations, regardless of the level of the subject's medical training.

Age Factors↗
PubMed2006

Improved density functional theory/electrostatic calculation of the His291 protonation state in cytochrome C oxidase: self-consistent charges for solvation energy calculation.

The protonation state of His291 in cytochrome c oxidase (CcO), a ligand to the Cu(B) center of the enzyme, has been recently studied in this group by using combined density functional theory (DFT)/electrostatic (QM/MM) calculations. On the basis of these calculations, a model of the proton pumping mechanism of CcO has been proposed. Due to certain technical difficulties, the procedure used in the previous calculation to find partial atomic charges of the QM system for the solvation energy evaluation was not entirely satisfactory; i.e., it was not self-consistent. Here, we describe a procedure that resolves the problem and report on the improved calculations of the protonation state of the His residue. The new procedure fits the protein and reaction field potentials in the region of the QM system with artificial point charges placed on a surface of a sphere surrounding the QM system and a few charges inside the sphere and allows one to perform DFT calculations that involve an inhomogeneous dielectric environment in a self-consistent way. The procedure improves the accuracy of calculations in comparison with previous work. The improved results show, however, that although the absolute energies change significantly the relative energies of the protonated and deprotonated states of His291 remain close to the previously reported ones and therefore do not change significantly the pK(a) values reported earlier. Therefore, our new improved calculations support for the proposed His291 model of the CcO pump.

Electron Transport Complex IV↗
PubMed2002

Comparison of monitor unit calculations performed with a 3D computerized planning system and independent "hand" calculations: results of three years clinical experience.

A comparison of the monitor unit calculations of a commercial 3D computerized treatment planning system (TPS) with "hand" calculations from lookup tables was made for a large number of clinical cases (greater than 13 500 treatment fields). Differences were analyzed by treatment site for prostate, rectum, cranium, and breast. The 3D TPS monitor unit calculation was systematically higher than the "hand" calculation by an amount that depended on the complexity of the treatment geometry. For simple geometries the mean difference was 1% and was as high as 3% for more complicated geometries. The higher value was attributed to an accumulation of differences introduced by multiple factors in the monitor unit calculation. Careful attention to factors such as patient contour could reduce the mean difference. "Hand" calculations were shown to be an accurate and useful tool for verification of TPS monitor unit calculations.

Algorithms↗
PubMed2006

Dynamic IMRT treatments of sinus region tumors: comparison of Monte Carlo calculations with treatment planning system calculations and ion chamber measurements.

Results are presented comparing Monte Carlo (MC) calculations for dynamic IMRT treatments of tumors in the sinus region with Eclipse treatment planning system dose calculations, and ion chamber measurements. The EGS4nrc MC code, BEAMnrc, was commissioned to simulate a Varian 21Ex Linac for both open and IMRT fields. The accuracy of the simulation for IMRT plans was evaluated using a head phantom by comparing MC, Eclipse, TLD results, and ion chamber in solid water phantom measurements. The MC code was then used to simulate dose distributions for five patients who were treated using dynamic IMRT for tumors in the sinus region. The results were compared with absolute and relative dose distributions calculated using Eclipse (pencil beam, modified-Batho inhomogeneity correction). Absolute dose differences were also compared with ion chamber results. Comparison of the doses calculated on the head phantom using MC, compared with Eclipse, ion chamber, and TLD measurements showed differences of -3.9%, -1.4%, and -2.0%, respectively (MC is colder). Relative dose distributions for the patient plans calculated using MC agreed well with those calculated using Eclipse with respect to targets and critical organs, indicating the modified-Batho correction is adequate. Average agreement for mean absolute target doses between MC and Eclipse was -3.0 +/-; 2.3% (1 s.d.). Agreement between ion chamber and Eclipse for these patients was -2.2 +/- 1.9%, compared with 0.2 +/- 2.0% for all head and neck IMRT patients. When Eclipse doses were corrected based on ion chamber results, agreement between MC and Eclipse was -0.7 +/- 2.0%, indicating a small systematic uncertainty in the doses calculated using the treatment planning system for this subset of patients.

Head and Neck Neoplasms↗
PubMedDate not supplied

Drug calculations: are they safer with or without a calculator?

The safe administration of medicines is a key nursing activity. The most common type of medication error is administering the wrong dose (Armitage, 2006). To administer medicines correctly, nurses must apply appropriate knowledge specific to the patients receiving medication, and execute the skills required to administer medicines to a high degree of accuracy. This may include mathematical calculations. The potential for errors in child health settings is compounded by the complex calculations often required to ensure children receive the appropriate dose. Nurse educators face dilemmas in both pre- and post-registration settings relating to students' lack of ability to undertake drug calculations without a calculator. This means that students may not be able to follow the Nursing and Midwifery Council (NMC) Guidelines for the Administration of Medicines (NMC, 2004b). Medication dosage calculations continue to be problematic for qualified nurses. It is too early to assess whether changes in state education will improve pre-registration students' abilities to apply skills in basic mathematical principles to drug calculations. In the meantime, it is important that nurses who appear to have a weakness in applying mathematical principles to drug calculations seek, and are offered, the opportunity to develop these skills.

Clinical Competence↗
PubMed1975

Calculation of O2 saturation and of the oxyhemoglobin dissociation curve for different species, using a new programmable pocket calculator.

The degree of O2 saturation and different data of acid-base status are determined from pO2, pH, and pCO2 values bya programmable pocket calculator. Since the operating program should be usable for different species and also in the range of very low O2 saturations, obviously the usual Hill equation for calculating the oxygen dissociation curve of hemoglobin is not applicable; the same is true is some cases for the Adair equation. Thus a 3-fold subdivision of the dissociation curve was undertaken and programmed. Suitable programs for several species could be established despite the limited number of program steps in the new calculator, giving systematic deviations in calculated O2 saturations of less than or equal to +/- 0.9 saturation precent over the full range of dissociation curves. A reverse procedure for calculation of pO2 from saturation is added. In situations where pCO2 or base excess are not known or only estimated, limits of the arising error are stated. In the acid-base program 7 parameters are evaluated partially using empirical formulae derived from nomograms. The programmable pocket calculator offers advantages of small size, economy, and independence of line voltage compared to much more spacious units and a precision equal or superior to nomograms.

Animals↗
PubMed2005

Calculated low density lipoprotein cholesterol levels frequently underestimate directly measured low density lipoprotein cholesterol determinations in patients with serum triglyceride levels < or =4.52 mmol/l: an analysis comparing the LipiDirect magnetic LDL assay with the Friedewald calculation.

BACKGROUND: Increased low density lipoprotein cholesterol (LDL-C) is an established risk factor for the development of coronary artery disease (CAD). Recent guidelines detail specific LDL-C cutpoints for therapeutic goals. In practice, LDL-C is usually derived from the Friedewald formula (FF). This calculation is known to be inaccurate with serum triglyceride (TG) concentrations >4.52 mmol/l, however, its accuracy among relatively healthy patient cohorts with TG concentrations < or =4.52 mmol/l is less well studied. METHODS: We studied 661 ambulatory adults with TG concentrations < or =4.52 mmol/l and no overt CAD. Fasting venous lipid panels were obtained. LDL-C was calculated from the FF and also directly measured with the LipiDirect Magnetic LDL assay. Linear regression and paired t-test analyses were performed. RESULTS: Calculated and directly measured LDL-C concentrations were significantly different (4.26+/-0.88 vs. 4.83+/-1.06 mmol/l respectively, p<0.0001). In 93% of measurements directly measured LDL-C exceeded calculated LDL-C. Although calculated and directly measured LDL-C concentrations were related (R=0.90), the discrepancy between them increased linearly with increasing TG concentrations (R=0.67) and clinically important differences existed at normal or slightly increased TG concentrations. Concordant results for NCEP ATP-III risk categories were present for only 48.1% of samples. CONCLUSIONS: Significant differences between calculated and directly measured LDL-C using the LipiDirect Magnetic LDL assay exist in healthy subjects with TG < or =4.52 mmol/l. These differences are linearly related to TG concentrations and occur frequently at relatively low TG concentrations.

Adult↗