Antibody sequence-based prediction of pH gradient elution in multimodal chromatography

Multimodal chromatography has emerged as a promising technique for antibody purification, owing to its ca- pacity to selectively capture and separate target molecules. However, the optimization of chromatography pa- rameters remains a challenge due to the intricate nature of protein-ligand interactions. To tackle this issue, efficient predictive tools are essential for the development and optimization of multimodal chromatography processes. In this study, we introduce a methodology that predicts the elution behavior of antibodies in multi- modal chromatography based on their amino acid sequences. We analyzed a total of 64 full-length antibodies, including IgG1, IgG4, and IgG-like multispecific formats, which were eluted using linear pH gradients from pH 9.0 to 4.0 on the anionic mixed-mode resin Capto adhere. Homology models were constructed, and 1312 antibody-specific physicochemical descriptors were calculated for each molecule. Our analysis identified six key structural features of the multimodal antibody interaction, which were correlated with the elution behavior, emphasizing the antibody variable region. The results show that our methodology can predict pH gradient elution for a diverse range of antibodies and antibody formats, with a test set R2 of 0.898. The developed model can inform process development by predicting initial conditions for multimodal elution, thereby reducing trial and error during process optimization. Furthermore, the model holds the potential to enable an in silico manu- facturability assessment by screening target antibodies that adhere to standardized purification conditions. In conclusion, this study highlights the feasibility of using structure-based prediction to enhance antibody purifi- cation in the biopharmaceutical industry. This approach can lead to more efficient and cost-effective process development while increasing process understanding

The neutron electric dipole form factor in the perturbative chiral quark model

We calculate the electric dipole form factor of the neutron in a perturbative chiral quark model, parameterizing CP-violation of generic origin by means of effective electric dipole moments of the constituent quarks and their CP-violating couplings to the chiral fields. We discuss the relation of these effective parameters to more fundamental ones such as the intrinsic electric and chromoelectric dipole moments of quarks and the Weinberg parameter. From the existing experimental upper limits on the neutron EDM we derive constraints on these CP-violating parameters.Comment: 20 pages, 3 figure

Quantum phase transitions in the interacting boson model

This review is focused on various properties of quantum phase transitions (QPTs) in the Interacting Boson Model (IBM) of nuclear structure. The model in its infinite-size limit exhibits shape-phase transitions between spherical, deformed prolate, and deformed oblate forms of the ground state. Finite-size precursors of such behavior are verified by robust variations of nuclear properties (nuclear masses, excitation energies, transition probabilities for low lying levels) across the chart of nuclides. Simultaneously, the model serves as a theoretical laboratory for studying diverse general features of QPTs in interacting many-body systems, which differ in many respects from lattice models of solid-state physics. We outline the most important fields of the present interest: (a) The coexistence of first- and second-order phase transitions supports studies related to the microscopic origin of the QPT phenomena. (b) The competing quantum phases are characterized by specific dynamical symmetries and novel symmetry related approaches are developed to describe also the transitional dynamical domains. (c) In some parameter regions, the QPT-like behavior can be ascribed also to individual excited states, which is linked to the thermodynamic and classical descriptions of the system. (d) The model and its phase structure can be extended in many directions: by separating proton and neutron excitations, considering odd-fermion degrees of freedom or different particle-hole configurations, by including other types of bosons, higher order interactions, and by imposing external rotation. All these aspects of IBM phase transitions are relevant in the interpretation of experimental data and important for a fundamental understanding of the QPT phenomenon.Comment: a review article, 71 pages, 18 figure

Multiplicities of charged pions and unidentified charged hadrons from deep-inelastic scattering of muons off an isoscalar target

Multiplicities of charged pions and unidentified hadrons produced in deep-inelastic scattering were measured in bins of the Bjorken scaling variable $x$, the relative virtual-photon energy $y$ and the relative hadron energy $z$. Data were obtained by the COMPASS Collaboration using a 160 GeV muon beam and an isoscalar target ($^6$LiD). They cover the kinematic domain in the photon virtuality $Q^2$ > 1(GeV/c$)^2$, $0.004 < x < 0.4$, $0.2 < z < 0.85$ and $0.1 < y < 0.7$. In addition, a leading-order pQCD analysis was performed using the pion multiplicity results to extract quark fragmentation functions

A high resolution search for the tensor glueball candidate [xi] (2230) Crystal Barrel Collaboration

We report results of a high resolution search for the tensor glueball candidate ξ(2230) in a p̄p formation experiment. π0π0 and ηη decay channels were measured in a scan of the mass region 2220 MeV to 2240 MeV. No evidence for the existence of ξ(2230) was found. 95% confidence upper limits for the possible existence of ξ are presented

Multiplicities of charged kaons from deep-inelastic muon scattering off an isoscalar target

Precise measurements of charged-kaon multiplicities in deep inelastic scattering were performed. The results are presented in three-dimensional bins of the Bjorken scaling variable x, the relative virtual-photon energy y, and the fraction z of the virtual-photon energy carried by the produced hadron. The data were obtained by the COMPASS Collaboration by scattering 160 GeV muons off an isoscalar 6LiD target. They cover the kinematic domain View the MathML source in the photon virtuality, 0.0045 GeV/c2 in the invariant mass of the hadronic system. The results from the sum of the z -integrated K+ and K 12 multiplicities at high x point to a value of the non-strange quark fragmentation function larger than obtained by the earlier DSS fit

Collins and Sivers asymmetries in muonproduction of pions and kaons off transversely polarised protons

Measurements of the Collins and Sivers asymmetries for charged pions and charged and neutral kaons produced in semi-inclusive deep-inelastic scattering of high energy muons off transversely polarised protons are presented. The results were obtained using all the available COMPASS proton data, which were taken in the years 2007 and 2010. The Collins asymmetries exhibit in the valence region a non-zero signal for pions and there are hints of non-zero signal also for kaons. The Sivers asymmetries are found to be positive for positive pions and kaons and compatible with zero otherwise. © 2015

Measurement of azimuthal hadron asymmetries in semi-inclusive deep inelastic scattering off unpolarised nucleons

Spin-averaged asymmetries in the azimuthal distributions of positive and negative hadrons produced in deep inelastic scattering were measured using the CERN SPS longitudinally polarised muon beam at 160GeV/c and a 6LiD target. The amplitudes of the three azimuthal modulations cos φh, cos 2φh and sin φh were obtained binning the data separately in each of the relevant kinematic variables x, z or pTh and binning in a three-dimensional grid of these three variables. The amplitudes of the cos φh and cos 2φh modulations show strong kinematic dependencies both for positive and negative hadrons. © 2014 CERN for the benefit of the COMPASS Collaboration