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Record W1961668975 · doi:10.1371/journal.pone.0126420

A Multilaboratory Comparison of Calibration Accuracy and the Performance of External References in Analytical Ultracentrifugation

2015· article· en· W1961668975 on OpenAlexaff
Huaying Zhao, Rodolfo Ghirlando, Carlos Alfonso, Fumio Arisaka, Ilan Attali, David L. Bain, Marina Bakhtina, Donald Becker, Gregory J. Bedwell, Ahmet Bekdemir, Tabot M. D. Besong, Catherine Birck, Chad A. Brautigam, William Brennerman, Olwyn Byron, Agnieszka Bzowska, Jonathan B. Chaires, Catherine T. Chaton, Helmut Cölfen, Keith D. Connaghan, Kimberly A. Crowley, Ute Curth, Tina Daviter, William L. Dean, Ana I. Díez, Christine Ebel, Debra M. Eckert, Leslie E. Eisele, Edward Eisenstein, Patrick England, Carlos Escalante, Jeffrey Fagan, Robert Fairman, Ron M. Finn, Wolfgang Fischle, José Garcı́a de la Torre, Jayesh Gor, Henning Gustafsson, Damien Hall, Stephen E. Harding, José G. Hernández Cifre, Andrew B. Herr, Elizabeth E. Howell, R. Stefan Isaac, Shu-Chuan Jao, Davis Jose, Soon‐Jong Kim, Bashkim Kokona, Jack A. Kornblatt, Dalibor Košek, Elena Krayukhina, Daniel Krzizike, Eric A. Kusznir, Adam G. Larson, Thomas M. Laue, Aline Le Roy, Andrew Leech, Hauke Lilie, Karolin Luger, Juan R. Luque-Ortega, Jia Ma, C.A. May, Ernest L. Maynard, Anna Modrak‐Wójcik, Yee-Foong Mok, Norbert Mücke, Luitgard Nagel‐Steger, Geeta J. Narlikar, Masanori Noda, Amanda Nourse, Tomáš Obšil, Chad K. Park, Jin-Ku Park, Peter D. Pawelek, Erby E. Perdue, Stephen J. Perkins, Matthew A. Perugini, Craig L. Peterson, Martin G. Peverelli, Grzegorz Piszczek, Gali Prag, Peter E. Prevelige, Bertrand Raynal, Lenka Řežábková, Klaus Richter, Alison E. Ringel, Rose Rosenberg, Arthur J. Rowe, Arne C. Rufer, David J. Scott, Javier Seravalli, Alexandra S. Solovyova, Renjie Song, David Staunton, Caitlin I. Stoddard, Katherine Stott, Holger M. Strauss, Werner Streicher, John P. Sumida, Sarah G. Swygert, Roman H. Szczepanowski, Ingrid Teßmer, Ronald Toth, Ashutosh Tripathy, Susumu Uchiyama, Stephan Uebel, Satoru Unzai, Anna Gruber, Peter H. von Hippel, Christine Wandrey, Szu‐Huan Wang, Steven E. Weitzel, Beata Wielgus‐Kutrowska, Cynthia Wolberger, Martin Wolff, Edward Wright, Yu-Sung Wu, Jacinta M. Wubben, Peter Schuck

Bibliographic record

VenuePLoS ONE · 2015
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicProtein purification and stability
Canadian institutionsConcordia University
FundersNational Institute of Biomedical Imaging and BioengineeringNational Heart, Lung, and Blood InstituteNational Institute of Diabetes and Digestive and Kidney DiseasesBiotechnology and Biological Sciences Research CouncilEngineering and Physical Sciences Research CouncilMiędzynarodowy Instytut Biologii Molekularnej i Komórkowej w WarszawieNational Institutes of HealthFrench Infrastructure for Integrated Structural BiologyCentre National de la Recherche ScientifiqueNational Research Foundation of KoreaAgence Nationale de la RechercheMax-Planck-GesellschaftDeutsche ForschungsgemeinschaftNational Cancer InstituteNational Research FoundationEuropean Regional Development FundEuropean CommissionNational Institute of General Medical SciencesUniversity of UtahNational Science Foundation
KeywordsCalibrationStandard deviationAccuracy and precisionMagnificationAnalytical Chemistry (journal)Analytical UltracentrifugationRange (aeronautics)Calibration curveReproducibilityChemistryChromatographyMathematicsStatisticsOpticsMaterials sciencePhysicsUltracentrifugeDetection limit

Abstract

fetched live from OpenAlex

Analytical ultracentrifugation (AUC) is a first principles based method to determine absolute sedimentation coefficients and buoyant molar masses of macromolecules and their complexes, reporting on their size and shape in free solution. The purpose of this multi-laboratory study was to establish the precision and accuracy of basic data dimensions in AUC and validate previously proposed calibration techniques. Three kits of AUC cell assemblies containing radial and temperature calibration tools and a bovine serum albumin (BSA) reference sample were shared among 67 laboratories, generating 129 comprehensive data sets. These allowed for an assessment of many parameters of instrument performance, including accuracy of the reported scan time after the start of centrifugation, the accuracy of the temperature calibration, and the accuracy of the radial magnification. The range of sedimentation coefficients obtained for BSA monomer in different instruments and using different optical systems was from 3.655 S to 4.949 S, with a mean and standard deviation of (4.304 ± 0.188) S (4.4%). After the combined application of correction factors derived from the external calibration references for elapsed time, scan velocity, temperature, and radial magnification, the range of s-values was reduced 7-fold with a mean of 4.325 S and a 6-fold reduced standard deviation of ± 0.030 S (0.7%). In addition, the large data set provided an opportunity to determine the instrument-to-instrument variation of the absolute radial positions reported in the scan files, the precision of photometric or refractometric signal magnitudes, and the precision of the calculated apparent molar mass of BSA monomer and the fraction of BSA dimers. These results highlight the necessity and effectiveness of independent calibration of basic AUC data dimensions for reliable quantitative studies.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.039
metaresearch head score (Gemma)0.094
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Observational · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.039
Threshold uncertainty score0.207

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0390.094
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0030.003
Science and technology studies0.0020.002
Scholarly communication0.0030.001
Open science0.0030.004
Research integrity0.0020.002
Insufficient payload (model declined to judge)0.0010.001

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.068
GPT teacher head0.296
Teacher spread0.228 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designObservational
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

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Citations102
Published2015
Admission routes1
Has abstractyes

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Same venuePLoS ONESame topicProtein purification and stabilityFrench-language works237,207