Notes on Fitting and Analysis Frameworks for QENS Spectra of (Soft) Colloid Suspensions

Beck, Christian; Pounot, Kévin; Mosca, Ilaria; Jalarvo, Niina; Roosen-Runge, Felix; Schreiber, Frank; Seydel, Tilo

doi:10.1051/epjconf/202227201004

Cited by 2 publications

(3 citation statements)

References 41 publications

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“…The QENS data are curated under the DOI . The data were processed with Mantid applying standard reduction including monitor normalization and empty can subtraction, and subsequently fitted using python employing scipy.optimize.curve_fit …”

Section: Methodsmentioning

confidence: 99%

Biophysical Determinants for the Viscosity of Concentrated Monoclonal Antibody Solutions

Mosca,

Pounot,

Beck

et al. 2023

Mol. Pharmaceutics

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Monoclonal antibodies (mAbs) are particularly relevant for therapeutics due to their high specificity and versatility, and mAb-based drugs are hence used to treat numerous diseases. The increased patient compliance of self-administration motivates the formulation of products for subcutaneous (SC) administration. The associated challenge is to formulate highly concentrated antibody solutions to achieve a significant therapeutic effect, while limiting their viscosity and preserving their physicochemical stability. Protein−protein interactions (PPIs) are in fact the root cause of several potential problems concerning the stability, manufacturability, and delivery of a drug product. The understanding of macroscopic viscosity requires an in-depth knowledge on protein diffusion, PPIs, and self-association/aggregation. Here, we study the self-diffusion of different mAbs of the IgG1 subtype in aqueous solution as a function of the concentration and temperature by quasi-elastic neutron scattering (QENS). QENS allows us to probe the short-time self-diffusion of the molecules and therefore to determine the hydrodynamic mAb cluster size and to gain information on the internal mAb dynamics. Small-angle neutron scattering (SANS) is jointly employed to probe structural details and to understand the nature and intensity of PPIs. Complementary information is provided by molecular dynamics (MD) simulations and viscometry, thus obtaining a comprehensive picture of mAb diffusion.

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Section: Methodsmentioning

confidence: 99%

Biophysical Determinants for the Viscosity of Concentrated Monoclonal Antibody Solutions

Mosca,

Pounot,

Beck

et al. 2023

Mol. Pharmaceutics

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“…All samples were measured during experiment 1-20-69 (Beck et al, 2021) on IN16B at the ILL. Full QENS spectra were measured with energy resolution �E = 0.9 meV FWHM and 30 meV dynamic range with a scattering vector range 0.1 < q < 1.8 A ˚À 1 . FWS were measured with the same energy resolution and same q range at energy transfers in the interval h -!…”

Section: Contributions To the Incoherent Scattering Signalmentioning

confidence: 99%

“…The neutron data are curated by the ILL and are accessible via references Beck et al (2021Beck et al ( , 2016 and Grimaldo et al (2016).…”

Section: Data Availabilitymentioning

confidence: 99%

Accessing self-diffusion on nanosecond time and nanometre length scales with minute kinetic resolution

Beck,

Roosen-Runge,

Grimaldo

et al. 2024

J Appl Crystallogr

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Neutron spectroscopy uniquely and non-destructively accesses diffusive dynamics in soft and biological matter, including for instance proteins in hydrated powders or in solution, and more generally dynamic properties of condensed matter on the molecular level. Given the limited neutron flux resulting in long counting times, it is important to optimize data acquisition for the specific question, in particular for time-resolved (kinetic) studies. The required acquisition time was recently significantly reduced by measurements of discrete energy transfers rather than quasi-continuous neutron scattering spectra on neutron backscattering spectrometers. Besides this reduction in acquisition times, smaller amounts of samples can be measured with better statistics, and most importantly, kinetically changing samples, such as aggregating or crystallizing samples, can be followed. However, given the small number of discrete energy transfers probed in this mode, established analysis frameworks for full spectra can break down. Presented here are new approaches to analyze measurements of diffusive dynamics recorded within fixed windows in energy transfer, and these are compared with the analysis of full spectra. The new approaches are tested by both modeled scattering functions and a comparative analysis of fixed energy window data and full spectra on well understood reference samples. This new approach can be employed successfully for kinetic studies of the dynamics focusing on the short-time apparent center-of-mass diffusion.

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Notes on Fitting and Analysis Frameworks for QENS Spectra of (Soft) Colloid Suspensions

Cited by 2 publications

References 41 publications

Biophysical Determinants for the Viscosity of Concentrated Monoclonal Antibody Solutions

Biophysical Determinants for the Viscosity of Concentrated Monoclonal Antibody Solutions

Accessing self-diffusion on nanosecond time and nanometre length scales with minute kinetic resolution

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