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PubMed2004

Vibrational spectra from atomic fluctuations in dynamics simulations. II. Solvent-induced frequency fluctuations at femtosecond time resolution.

The midinfrared (MIR) spectra of molecules in polar solvents exhibit inhomogeneously broadened bands whose spectral positions are shifted as compared to the gas phase. The shifts are caused by interactions with structured solvation shells and the broadenings by fluctuations of these interactions. The MIR spectra can be calculated from hybrid molecular dynamics (MD) simulations, which treat the solute molecule by density functional theory and the solvent by molecular mechanics by the so-called instantaneous normal mode analysis (INMA) or by Fourier transforming the time correlation function (FTTCF) of the molecular dipole moment. In Paper I of this work [M. Schmitz and P. Tavan, J. Chem. Phys. 121, 12233 (2004)] we explored an alternative method based on generalized virial (GV) frequencies noting, however, that GV systematically underestimates frequencies. As shown by us these artifacts are caused by solvent-induced fluctuations of the (i) equilibrium geometry, (ii) force constants, and (iii) normal mode directions as well as by (iv) diagonal and (v) off-diagonal anharmonicities. Here we now show, by analyzing the time scales of fluctuations and sample MD trajectories of formaldehyde in the gas phase and in water, that all these sources of computational artifacts can be made visible by a Fourier analysis of the normal coordinates. Correspondingly, the error sources (i) and (iii)-(v) can be removed by bandpass filtering, as long as the spectral signatures of the respective effects are well separated from the fundamental band. Furthermore, the artifacts arising from effect (ii) can be strongly diminished by a time-resolved version of the GV approach (TF-GV). The TF-GV method then yields for each mode j a trajectory of the vibrational frequency omega(j)(tmid R:tau) at a time resolution tau>tau(j), which is only limited by the corresponding oscillation time tau(j)=2pi/omega(j) and, thus, is in the femtosecond range. A correlation analysis of these trajectories clearly separates the librational motions from the conformational dynamics of the solvation shells and yields the inhomogeneously broadened MIR spectra, if the theory of motional narrowing is properly included. The MIR spectrum of formaldehyde in solution obtained by TF-GV agrees very well with the FTTCF result, if one applies the so-called "harmonic approximation" quantum correction factor and a temperature scaling to the FTTCF intensities. Also for INMA an excellent agreement is achieved if one disregards a slight INMA overestimate of linewidths.

Journal Article↗

PubMed2003

Using the volumetric effect of a finite-sized detector for routine quality assurance of multileaf collimator leaf positioning.

Intensity modulated radiation therapy (IMRT) is an advanced form of radiation therapy and promises to improve dose conformation while reducing the irradiation to the sensitive structures. The modality is, however, more complicated than conventional treatment and requires much more stringent quality assurance (QA) to ensure what has been planned can be achieved accurately. One of the main QA tasks is the assurance of positioning accuracy of multileaf collimator (MLC) leaves during IMRT delivery. Currently, the routine quality assurance of MLC in most clinics isbeing done using radiographic films with specially designed MLC leaf sequences. Besides being time consuming, the results of film measurements are difficult to quantify and interpret. In this work, we propose a new and effective technique for routine MLC leaf positioning QA. The technique utilizes the fact that, when a finite-sized detector is placed under a leaf, the relative output of the detector will depend on the relative fractional volume irradiated. A small error in leaf positioning would change the fractional volume irradiated and lead to a deviation of the relative output from the normal reading. For a given MLC and detector system, the relation between the relative output and the leaf displacement can be easily established through experimental measurements and used subsequently as a quantitative means for detecting possible leaf positional errors. The method was tested using a linear accelerator with an 80-leaf MLC. Three different locations, including two locations on central plane (X1 = X2 = 0) and one point on an off-central plane location (X1 = -7.5, X = 7.5), were studied. Our results indicated that the method could accurately detect a leaf positional change of approximately 0.1 mm. The method was also used to monitor the stability of MLC leaf positioning for five consecutive weeks. In this test, we intentionally introduced two positional errors in the testing MLC leaf sequences: -0.2 mm and 1.2 mm. The technique was found to be robust and could detect the positional inaccuracy in each week's test. The influence of other possible error sources, including the ion chamber placement, jaw settings, gantry and collimator angle read-outs, and the positioning errors of the adjacent leaves, on detection accuracy were also investigated. The principle of our method is independent of the types of the MLC and the detector and may have significant practical implications in facilitating routine MLC QA for IMRT delivery.

Calibration↗

PubMed2006

A quantitative model of error accumulation during PCR amplification.

The amplification of target DNA by the polymerase chain reaction (PCR) produces copies which may contain errors. Two sources of errors are associated with the PCR process: (1) editing errors that occur during DNA polymerase-catalyzed enzymatic copying and (2) errors due to DNA thermal damage. In this study a quantitative model of error frequencies is proposed and the role of reaction conditions is investigated. The errors which are ascribed to the polymerase depend on the efficiency of its editing function as well as the reaction conditions; specifically the temperature and the dNTP pool composition. Thermally induced errors stem mostly from three sources: A+G depurination, oxidative damage of guanine to 8-oxoG and cytosine deamination to uracil. The post-PCR modifications of sequences are primarily due to exposure of nucleic acids to elevated temperatures, especially if the DNA is in a single-stranded form. The proposed quantitative model predicts the accumulation of errors over the course of a PCR cycle. Thermal damage contributes significantly to the total errors; therefore consideration must be given to thermal management of the PCR process.

Base Sequence↗

PubMed2002

An easy method to determine 210Po and 210Pb by alpha spectrometry in marine environmental samples.

Two 210Po measurements by alpha spectrometry are made in two different aliquots separated by sufficient time for the growth of 210Po from the 210Pb content to be significant, as a difference from other methods that prepare consecutively, the two sources from the same aliquot. The main advantage is that this method is more rigorous than others, as it avoids possible error sources in the radiochemical procedure and takes care of uncertainties and their propagation. Analyses of bivalve samples have validated the method.

Animals↗

PubMed2001

A method for three-projection infant cephalometry.

OBJECTIVE: To assess morphology and growth in infants and children with craniofacial anomalies based on comprehensive digitization of radiographic films in three, mutually orthogonal projections. METHOD: The method consists of (1) acquisition of radiographic films in a highly standardized three-projection (lateral, frontal, and axial) cephalometer, (2) marking and digitization of a total of 279 anatomical landmarks in the three projections, and (3) computation and presentation (tabular and graphical) of 356 linear and angular variables describing the craniofacial morphology, including soft tissue. Computation of statistical entities describing a patient, a group of patients, the differences between patients or groups of patients was carried out. Error assessment of the method involved investigation of error distribution among a number of error sources. Duplicate digitization of radiographic films from 30 randomly selected patients, and from 10 dry skulls, was carried out to determine the errors contributed by the procedure of landmark digitization and the distribution of error among landmarks and variables, as well as between projections. RESULTS: The average error due to landmark digitization, s(i), determined by duplicate digitization and calculated by use of Dahlberg's formula was 0.8 mm for linear variables and 1.6 degrees for angular variables. CONCLUSION: This method of infant cephalometry has been shown to be highly accurate and reproducible, and it adds significant new potential for, e.g., asymmetry detection, population comparison, and growth measurements compared to other cephalometric techniques due to its standardized acquisition and digitization protocol, inclusion of an axial projection, and the large number of well-defined landmarks and variables involved.

Cephalometry↗

PubMed1984

Inherent sources of ultrasound variability in relation to follicular measurements.

Determination of ovarian follicular size and number by real-time ultrasound lacks the precision that has been ascribed to it. Four major error sources inherent in the scanning and interpreting process were analyzed to determine the relative contributions to overall variation. The sources measured were machine, sonographer, sonologist, and patient bladder volume. A protocol using a normal clomiphene-stimulated woman allowed the determination of the coefficient of variance for both follicular number and follicular diameter as well as a mean diameter range in each of the categories. A large degree of variation was found in all groups. Surprisingly, it was noted that maximal bladder filling did not produce optimal images. We believe that while variability in ultrasound can be recognized and lessened, it cannot be eliminated. Thus, caution must be used when ultrasound follicular comparisons are made within each program from day to day and particularly between institutions. A liberal range should be allowed for optimal follicle sizes for any given stimulation protocol.

Evaluation Studies as Topic↗

PubMed2001

Dissociation of sulfur hexafluoride tracer gas in the presence of an indoor combustion source.

As an odorless, nontoxic, and inert compound, sulfur hexafluoride (SF6) is one of the most widely used tracer gases in indoor air quality studies in both controlled and uncontrolled environments. This compound may be subject to reactions with water vapor under elevated temperature to form acidic inorganic compounds such as HF and H2SO4. Thus, in the presence of unvented combustion sources such as kerosene heaters, natural gas heaters, gas log fireplaces, candles, and lamps, the SF6 dissociation may interfere with measurements of the emissions from these sources. Tests were conducted in a research house with a vent-free natural gas heater to investigate these potential interferences. It was observed that the heater operation caused about a 5% reduction of SF6 concentration, which can be an error source for the ventilation rate measurement and consequently the estimated pollutant emission rates. Further analysis indicates that this error can be much greater than the observed 5% under certain test conditions because it is a function of the ventilation flow rate. Reducing the tracer gas concentration has no effect on this error. A simple theoretical model is proposed to estimate the magnitude of this error. The second type of interference comes from the primary and secondary products of the SF6 dissociation, mainly H2SO4, SO2, HF, and fine particulate matter (PM). In the presence of approximately 5 ppm SF6, the total airborne concentrations of these species increased by a factor of 4-10. The tests were performed at relatively high SF6 concentrations, which is necessary to determine the interferences quantitatively. The second type of interference can be significantly reduced if the SF6 concentration is kept at a low ppb level.

Air Movements↗

PubMed1998

An Investigation of the Sources of Measurement Error in the Post-Encounter Written Scores from Standardized Patient Examinations.

Purpose. Post-encounter written exercises (e.g., patient notes) have been included in clinical skills assessments that use standardized patients. The purpose of this study was to estimate the generalizability of the scores from these written exercises when they are rated by various trained health professionals, including physicians.Method. The patient notes from a 10 station clinical skills examination involving 10 first year emergency medicine residents were analytically scored by four rater groups: three physicians, three nurses, three fourth year medical students, three billing clerks. Generalizability analyses were used to partition the various sources of error variance and derive reliability-like coefficients for each group of raters.Results. The generalizability analyses indicated that case-to-case variability was a major source of error variance in the patient note scores. The variance attributable to the rater or to the rater by examinee interaction was negligible. This finding was consistent across the four rater groups. Generalizability coefficients in excess of 0.80 were achieved for each of the four sets of raters. Physicians did, however, produce the most dependable scores.Conclusion. There is little advantage, from a reliability perspective, in using more than one trained physician, or other health professional who is adequately trained to score the patient note. Measurement error is introduced primarily by case sampling variability. This suggests that, if required, increases in the generalizability of the patient note scores can be made through the addition of cases, and not the addition of raters.

Journal Article↗

PubMed1982

Error analysis in flow microfluorometry.

Sources of error in a typical algorithm for the analysis of single flow-microfluorometric histograms are identified. A new statistical model for such data is presented, by means of which the error sources are quantitatively investigated. These theoretical investigations lead to three practical observations: A more detailed characterization of the fluorescence dispersion process is needed for a more refined algorithm. Levels of dispersion typically experienced are such that from a single histogram the distribution of cells within S-phase cannot be finely resolved; but the crude distribution of cells among the three phases G1, S, and G2-M may be accurately estimated. If currently typical levels of dispersion can be halved, then the S-phase distribution can be finely resolved.

DNA↗

PubMed2003

Biological tissue characterization by magnetic induction spectroscopy (MIS): requirements and limitations.

Magnetic induction spectroscopy (MIS) aims at the contactless measurement of the passive electrical properties (PEP) sigma, epsilon, and mu of biological tissues via magnetic fields at multiple frequencies. Whereas previous publications focus on either the conductive or the magnetic aspect of inductive measurements, this article provides a synthesis of both concepts by discussing two different applications with the same measurement system: 1) monitoring of brain edema and 2) the estimation of hepatic iron stores in certain pathologies. We derived the equations to estimate the sensitivity of MIS as a function of the PEP of biological objects. The system requirements and possible systematic errors are analyzed for a MIS-channel using a planar gradiometer (PGRAD) as detector. We studied 4 important error sources: 1) moving conductors near the PGRAD; 2) thermal drifts of the PGRAD-parameters; 3) lateral displacements of the PGRAD; and 4) phase drifts in the receiver. All errors were compared with the desirable resolution. All errors affect the detected imaginary part (mainly related to sigma) of the measured complex field much less than the real part (mainly related to epsilon and mu). Hence, the presented technique renders possible the resolution of (patho-) physiological changes of the electrical conductivity when applying highly resolving hardware and elaborate signal processing. Changes of the magnetic permeability and permittivity in biological tissues are more complicated to deal with and may require chopping techniques, e.g., periodic movement of the object.

Animals↗

PubMed2000

Cross-modal source monitoring confusions between perceived and imagined events.

Two experiments tested the prediction based on the source monitoring framework that imagination is most likely to lead to false memories when related perceived events have occurred. Consistent with this, people were more likely to falsely remember seeing events when the events had been both imagined as seen and actually heard than when they were just heard, just visually imagined, or imagined both visually and auditorily. Furthermore, when people considered potential sources for memories or more carefully evaluated features of remembered events, source errors were reduced. On average, misattributed ("false") memories differed in phenomenal qualities from true memories. Taken together, these findings show that as different qualities of mental experience flexibly enter into source attributions, qualities derived from related perceptual events are particularly likely to lead to false claims that imagined events were seen, even when the event involves a primary modality (auditory) different from the target event (visual).

Adult↗

PubMed2000

The accuracy of image registration for the brain and the nasopharynx using external anatomical landmarks.

We investigated the accuracy of 3D image registration using markers that are repeatedly applied to external anatomical landmarks on the head. The purpose of this study is to establish a lower limit of the errors that would occur in, for instance, MRI-SPECT matching, which in some situations can only be achieved using external landmarks. Marker matching was compared with (single-modality) volume matching for 20 MRI scans. The results were compared with a published expression for the target registration error (TRE) which gives the 3D distribution of the mismatch between both scans. It was found that the main error source is reapplying the external markers on the anatomical landmarks. The published expression describes the relative distribution of the TRE in space well, but tends to underestimate the actual registration error. This deviation is due to anisotropy in the error distribution of the marker position (errors in the direction perpendicular to the skin surface are in general much smaller than errors in other directions). A simulation of marker matching with anisotropy in the errors confirmed this finding. With four reapplied markers, the TRE is 6 mm or smaller in most regions of the head.

Brain↗

PubMed1995

A K edge filter technique for optimization of the coherent-to-Compton scatter ratio method.

The ratio method involves forming the ratio of the elastic to inelastic x-ray scatter signals from a localized region of a scattering medium to determine its mean atomic number. An analysis is presented of two major error sources influencing the ratio method: firstly statistical (photon) noise and secondly multiple scattering and self-attenuation of the primary and scatter radiations in the medium. It is shown that a forward scattering geometry minimizes errors of both types for substances composed of elements with low and medium atomic number. However, owing to the small energy separation (approximately 100 eV) of coherent and Compton scatter for this geometry, they cannot be distinguished directly with semiconductor (e.g., Ge) detectors. A novel K edge filter technique is described which permits separation of the elastic and Compton signals in the forward-scatter geometry. The feasibility of this method is demonstrated by experimental results obtained with Ta fluorescence radiation provided by a fluorescent x-ray source filtered with an Er foil. The extension of this technique to the "in vivo" measurement of low momentum transfer inelastic scattering from biological tissues, possibly providing useful diagnostic information, is briefly discussed.

Biophysical Phenomena↗

PubMed2002

Error analysis of tissue resistivity measurement.

We identified the error sources in a system for measuring tissue resistivity at eight frequencies from 1 Hz to 1 MHz using the four-terminal method. We expressed the measured resistivity with an analytical formula containing all error terms. We conducted practical error measurements with in-vivo and bench-top experiments. We averaged errors at all frequencies for all measurements. The standard deviations of error of the quantization error of the 8-bit digital oscilloscope with voltage averaging, the nonideality of the circuit, the in-vivo motion artifact and electrical interference combined to yield an error of +/- 1.19%. The dimension error in measuring the syringe tube for measuring the reference saline resistivity added +/- 1.32% error. The estimation of the working probe constant by interpolating a set of probe constants measured in reference saline solutions added +/- 0.48% error. The difference in the current magnitudes used during the probe calibration and that during the tissue resistivity measurement caused +/- 0.14% error. Variation of the electrode spacing, alignment, and electrode surface property due to the insertion of electrodes into the tissue caused +/- 0.61% error. We combined the above errors to yield an overall standard deviation error of the measured tissue resistivity of +/- 1.96%.

Animals↗

PubMed1995

Measurement of fluid-shear rate by Fourier-encoded velocity imaging.

A new technique for estimating the blood fluid shear rate at the vessel wall is presented. The technique uses Fourier-encoded velocity imaging to determine the velocity distribution within a spatial element (voxel) that straddles the blood-vessel wall interface. By appropriate processing, the velocity distribution (1) can determine the location of the wall-blood interface within the voxel and (2) estimate the velocity profile across the spatial extent of the voxel. From this information, accurate estimates of fluid shear rate may be obtained. Simulations are presented to illustrate this technique and to show the effects of various error sources, including differences in proton densities between blood and wall tissues and flow-related signal changes. Experimental evidence obtained for steady flow in straight tubes is also presented in support of the technique. The mean error in the experimental shear rate estimates found using the proposed technique was -15%. This represents a significant improvement over estimates obtained by extrapolation of the velocity profile over multiple voxels (mean error of -73%).

Blood Flow Velocity↗

PubMed1989

Source memory impairment in patients with frontal lobe lesions.

In two experiments, we investigated memory for recently learned facts and memory for the source of the facts (i.e. where and when the facts were learned) in patients with frontal lobe lesions, age-matched elderly control subjects, and younger subjects. In both experiments, patients with frontal lobe lesions recalled as many facts as their age-matched subjects and the younger subjects, but they frequently attributed facts to incorrect sources. In the second experiment, both patients with frontal lobe lesions and their age-matched subjects committed more source errors than younger subjects. These findings suggest that the frontal lobes may play a special role in associating facts to the context in which they were learned. The results are also discussed in the light of the source memory impairment that occurs in amnesic patients.

Adult↗

PubMed2006

[Intra-operative stereotactic accuracy of computer-assisted robot orthopaedic trauma surgery planning system].

OBJECTIVE: To investigate the feasibility and accuracy of the software computer-assisted robot orthopaedic trauma surgery planning system (CAOTS). METHODS: The software CAOTS was developed and used on 85 cases of stereotactic operation, 24 model bones, 21 cadaveric extremity bones, and 40 patients. 307 groups of directional targets in these cases were randomly sampled. The distribution of error sources for evaluating system performance was embodied using Monte-Carlo method in order to derive the theoretic guarantees for further optimizing and enhancing the system performance, then the software SPSS 2.0 was used to analyze the errors. RESULTS: The statistical area of deviation number was 0.0408 +/- 0.4578 mm, corresponding to the result by Monte-Carlo method. Punching succeeded at the first run for all 307 cases without wrong locking and other clinical complications. CONCLUSION: Accurate and reliable, CAOTS improves the intra-operative navigation techniques and facilitates the orthopedists to perform operation.

Cadaver↗

PubMed1989

Two behavioral states studied in a single PET/FDG procedure: error analysis.

In a previous publication the theory, procedure, and results of a method were described for making two sequential measurements of cerebral metabolic rate for glucose (CMRglc), within a 2-hr period, using [18F]fluorodeoxyglucose. The error that is specific to this technique was estimated using computer simulations. CMRglc for the second state was sensitive to errors in (a) the values of the rate constants, (b) alignment of PET slices between the two scans, and (c) subtraction of one PET image from another. The root mean square of the average error from each error source was 6.4%, which gives the theoretical reliability of this method. The measured reproducibility, taken from our previous publication, was 4.2-6.2%, which is in good agreement with the present result. This method contributes a small additional error above that expected for two independent scans. However, independent scans done on different days are likely to be subject to larger physiological variations in CMRglc than would occur using this method.

Brain↗