Authors: Huaying Zhao, Ai Nguyen, Samuel C To...

Analytical ultracentrifugation (AUC) is based on the concept of recording and analyzing macroscopic macromolecular redistribution that results from a centrifugal force acting on the mass of suspended macromolecules in solution. Since AUC rests on first principles, it can provide an absolute measurement of macromolecular mass, sedimentation and diffusion coefficients, and many other quantities, provided that the solvent density and viscosity are known, and provided that the instrument is properly calibrated. Unfortunately, a large benchmark study revealed that many instruments exhibit very significant systematic errors. This includes the magnification of the optical detection system used to determine migration distance, the measurement of sedimentation time, and the measurement of the solution temperature governing viscosity. We have previously developed reference materials, tools, and protocols to detect and correct for systematic measurement errors in the AUC by comparison with independently calibrated standards. This 'external calibration' resulted in greatly improved precision and consistency of parameters across laboratories. Here we detail the steps required for calibration of the different data dimensions in the AUC. We demonstrate the calibration of three different instruments with absorbance and interference optical detection, and use measurements of the sedimentation coefficient of NISTmAb monomer as a test of consistency. Whereas the measured uncorrected sedimentation coefficients span a wide range from 6.22 to 6.61 S, proper calibration resulted in a tenfold reduced standard deviation of sedimentation coefficients. The calibrated relative standard deviation and mean error of 0.2% and 0.07%, respectively, is comparable with statistical errors and side-by-side repeatability in a single instrument.

Topics: Calibration; Macromolecular Substances; Solvents; Ultracentrifugation; Viscosity

PubMed: 33398460
DOI: 10.1007/s00249-020-01485-2

Review

Authors: Wan Ling Cheng, Corey Markus, Chun Yee Lim...

BACKGROUND

Calibration is a critical component for the reliability, accuracy, and precision of mass spectrometry measurements. Optimal practice in the construction, evaluation, and implementation of a new calibration curve is often underappreciated. This systematic review examined how calibration practices are applied to liquid chromatography-tandem mass spectrometry measurement procedures.

METHODS

The electronic database PubMed was searched from the date of database inception to April 1, 2022. The search terms used were "calibration," "mass spectrometry," and "regression." Twenty-one articles were identified and included in this review, following evaluation of the titles, abstracts, full text, and reference lists of the search results.

RESULTS

The use of matrix-matched calibrators and stable isotope-labeled internal standards helps to mitigate the impact of matrix effects. A higher number of calibration standards or replicate measurements improves the mapping of the detector response and hence the accuracy and precision of the regression model. Constructing a calibration curve with each analytical batch recharacterizes the instrument detector but does not reduce the actual variability. The analytical response and measurand concentrations should be considered when constructing a calibration curve, along with subsequent use of quality controls to confirm assay performance. It is important to assess the linearity of the calibration curve by using actual experimental data and appropriate statistics. The heteroscedasticity of the calibration data should be investigated, and appropriate weighting should be applied during regression modeling.

CONCLUSIONS

This review provides an outline and guidance for optimal calibration practices in clinical mass spectrometry laboratories.

Topics: Calibration; Chromatography, Liquid; Humans; Mass Spectrometry; Reference Standards; Reproducibility of Results

PubMed: 36045052
DOI: 10.3343/alm.2023.43.1.5

Authors: Jonatan Fridolfsson, Daniel Arvidsson, Stefan Grau...

There is conflicting evidence regarding the health implications of high occupational physical activity (PA). Shoe-based accelerometers could provide a feasible solution for PA measurement in workplace settings. This study aimed to develop calibration models for estimation of energy expenditure (EE) from shoe-based accelerometers, validate the performance in a workplace setting and compare it to the most commonly used accelerometer positions. Models for EE estimation were calibrated in a laboratory setting for the shoe, hip, thigh and wrist worn accelerometers. These models were validated in a free-living workplace setting. Furthermore, additional models were developed from free-living data. All sensor positions performed well in the laboratory setting. When the calibration models derived from laboratory data were validated in free living, the shoe, hip and thigh sensors displayed higher correlation, but lower agreement, with measured EE compared to the wrist sensor. Using free-living data for calibration improved the agreement of the shoe, hip and thigh sensors. This study suggests that the performance of a shoe-based accelerometer is similar to the most commonly used sensor positions with regard to PA measurement. Furthermore, it highlights limitations in using the relationship between accelerometer output and EE from a laboratory setting to estimate EE in a free-living setting.

Topics: Accelerometry; Calibration; Energy Metabolism; Exercise; Shoes

PubMed: 33810616
DOI: 10.3390/s21072333

Authors: Raoul Heese, Jochen Schmid, Michał Walczak...

We propose a novel methodology for general multi-class classification in arbitrary feature spaces, which results in a potentially well-calibrated classifier. Calibrated classifiers are important in many applications because, in addition to the prediction of mere class labels, they also yield a confidence level for each of their predictions. In essence, the training of our classifier proceeds in two steps. In a first step, the training data is represented in a latent space whose geometry is induced by a regular (n - 1)-dimensional simplex, n being the number of classes. We design this representation in such a way that it well reflects the feature space distances of the datapoints to their own- and foreign-class neighbors. In a second step, the latent space representation of the training data is extended to the whole feature space by fitting a regression model to the transformed data. With this latent-space representation, our calibrated classifier is readily defined. We rigorously establish its core theoretical properties and benchmark its prediction and calibration properties by means of various synthetic and real-world data sets from different application domains.

Topics: Calibration; Datasets as Topic

PubMed: 36649243
DOI: 10.1371/journal.pone.0279876

Authors: Alex M Downs, Julian Gerson, Kaylyn K Leung...

Electrochemical aptamer-based (EAB) sensors support the real-time, high frequency measurement of pharmaceuticals and metabolites in-situ in the living body, rendering them a potentially powerful technology for both research and clinical applications. Here we explore quantification using EAB sensors, examining the impact of media selection and temperature on measurement performance. Using freshly-collected, undiluted whole blood at body temperature as both our calibration and measurement conditions, we demonstrate accuracy of better than ± 10% for the measurement of our test bed drug, vancomycin. Comparing titrations collected at room and body temperature, we find that matching the temperature of calibration curve collection to the temperature used during measurements improves quantification by reducing differences in sensor gain and binding curve midpoint. We likewise find that, because blood age impacts the sensor response, calibrating in freshly collected blood can improve quantification. Finally, we demonstrate the use of non-blood proxy media to achieve calibration without the need to collect fresh whole blood.

Topics: Aptamers, Nucleotide; Calibration; Vancomycin

PubMed: 35365672
DOI: 10.1038/s41598-022-09070-7

Authors: Yan Wang, Guichen Lu, Jiang Du...

A Susceptible Infective Recovered (SIR) model is usually unable to mimic the actual epidemiological system exactly. The reasons for this inaccuracy include observation errors and model discrepancies due to assumptions and simplifications made by the SIR model. Hence, this work proposes calibration and prediction methods for the SIR model with a one-time reported number of infected cases. Given that the observation errors of the reported data are assumed to be heteroscedastic, we propose two predictors to predict the actual epidemiological system by modeling the model discrepancy through a Gaussian Process model. One is the calibrated SIR model, and the other one is the discrepancy-corrected predictor, which integrates the calibrated SIR model with the Gaussian Process predictor to solve the model discrepancy. A wild bootstrap method quantifies the two predictors' uncertainty, while two numerical studies assess the performance of the proposed method. The numerical results show that, the proposed predictors outperform the existing ones and the prediction accuracy of the discrepancy-corrected predictor is improved by at least 49.95%.

Topics: Calibration; Epidemiological Models; Uncertainty

PubMed: 35240807
DOI: 10.3934/mbe.2022128

Authors: Tao Gao, Yuchun Sun, Fusong Yuan...

PURPOSE

This study proposes a method for improving the accuracy of three-dimensional (3D) models generated through cone-beam computed tomography (CBCT).

METHODS

A 3D cuboid model fitted with a ¼-scale dentition on its top surface was constructed to simulate an alveolar bone with teeth. A physical specimen of the model was printed and the distance between its opposite sides was measured using a vernier caliper. The physical model was light-scanned, and the surface data of the generated 3D model were corrected by calibrating the distance between opposite sides against the vernier caliper measurements. The physical model was also scanned using CBCT to reconstruct a second 3D model. The overall deviation between the two models and the distance deviation in each direction of the cuboid and dentition were quantified and statistically analyzed.

RESULTS

The overall deviation between the reconstructed CBCT model and the calibrated structured light-scanned model was 0.098 ± 0.001 mm. Following calibration, the overall deviation was 0.010 ± 0.006 mm. A one-way variance analysis suggested that the overall deviations' differences were not statistically significant (P < 0.05).

CONCLUSION

This study lays a solid foundation for accurate dental implantation.

Topics: Humans; Imaging, Three-Dimensional; Calibration; Spiral Cone-Beam Computed Tomography; Cone-Beam Computed Tomography

PubMed: 36799416
DOI: 10.2174/1573405619666230217121745

Authors: Isam Al-Darabsah, Kang-Ling Liao, Stéphanie Portet...

In this paper, we provide a simple ODEs model with a generic nonlinear incidence rate function and incorporate two treatments, blocking the virus binding and inhibiting the virus replication to investigate the impact of calibration on model predictions for the SARS-CoV-2 infection dynamics. We derive conditions of the infection eradication for the long-term dynamics using the basic reproduction number, and complement the characterization of the dynamics at short-time using the resilience and reactivity of the virus-free equilibrium are considered to inform on the average time of recovery and sensitivity to perturbations in the initial virus free stage. Then, we calibrate the treatment model to clinical datasets for viral load in mild and severe cases and immune cells in severe cases. Based on the analysis, the model calibrated to these different datasets predicts distinct scenarios: eradication with a non reactive virus-free equilibrium, eradication with a reactive virus-free equilibrium, and failure of infection eradication. Moreover, severe cases generate richer dynamics and different outcomes with the same treatment. Calibration to different datasets can lead to diverse model predictions, but combining long- and short-term dynamics indicators allows the categorization of model predictions and determination of infection severity.

Topics: Humans; COVID-19; Calibration; SARS-CoV-2; Models, Theoretical

PubMed: 36625956
DOI: 10.1007/s00285-022-01849-6

Authors: Yaser Ghafoori, Andrej Vidmar, Andrej Kryžanowski...

Temperature measurements are widely used in structural health monitoring. Optical fiber distributed temperature sensors (DTS) are developed, based on Raman spectroscopy, to measure temperature with relatively high accuracy and short temporal and spatial resolutions. DTS systems provide an extensive number of temperature measurements along the entire length of an optical fiber that can be extended to tens of kilometers. The efficiency of the temperature measurement strongly depends on the calibration of the DTS data. Although DTS systems internally calibrate the data, manual calibration techniques were developed to achieve more accurate results. Manual calibration employs reference sections or points with known temperatures and the DTS scattering data to estimate the calibration parameters and calculate temperature along the optical fiber. In some applications, manual calibration is subjected to some shortages, based on the proposed fiber installation configuration and continuity of calibration. In this article, the manual calibration approach was developed using the model-independent Parameters Estimation (PEST), together with the external temperature sensors as references for the DTS system. The proposed method improved manual calibration in terms of installation configuration, continuity of dynamic calibration, and estimation of the calibration parameters.

Topics: Body Temperature; Calibration; Optical Fibers; Temperature; Thermometers

PubMed: 35632299
DOI: 10.3390/s22103890

Authors: Stephen A Graves, Molly Martin, Ashok Tiwari...

The purpose of this work was to perform an independent and National Institute of Standards and Technology-traceable activity measurement of Y SIR-Spheres (Sirtex). γ-spectroscopic measurements of the Y internal pair production decay mode were made using a high-purity germanium detector. Measured annihilation radiation detection rates were corrected for radioactive decay during acquisition, dead time, source attenuation, and source geometry effects. Detection efficiency was determined by 2 independent and National Institute of Standards and Technology-traceable methods. Measured SIR-Spheres vials ( = 5) contained more activity than specified by the manufacturer calibration; on average, the ratio of measured activity to calibrated was 1.233 ± 0.030. Activity measurements made using 2 distinct efficiency calibration methods agreed within 1%. The primary SIR-Spheres activity calibration appears to be a significant underestimate of true activity.

Topics: Calibration; Germanium

PubMed: 34992155
DOI: 10.2967/jnumed.121.262650