scholarly journals Molecular packing structure of fibrin fibers resolved by X-ray scattering and molecular modeling

Soft Matter ◽  
2020 ◽  
Vol 16 (35) ◽  
pp. 8272-8283 ◽  
Author(s):  
Karin A. Jansen ◽  
Artem Zhmurov ◽  
Bart E. Vos ◽  
Giuseppe Portale ◽  
Daniel Hermida-Merino ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Hierarchical Structure ◽  
Blood Clotting ◽  
Molecular Packing ◽  
X Ray ◽  
Packing Structure ◽  
X Ray Scattering ◽  
Clotting Protein ◽  
Computational Molecular Modeling ◽  
Ray Scattering

The blood clotting protein fibrin has extraordinary elastomeric properties due to its hierarchical structure. SAXS is combined with computational molecular modeling, providing insight in fibrin elasticity and guidelines for designing new polymers. 

scholarly journals Molecular packing structure of fibrin fibers resolved by X-ray scattering and molecular modeling

2020 ◽  
Author(s):  
Karin A. Jansen ◽  
Artem Zhmurov ◽  
Bart E. Vos ◽  
Giuseppe Portale ◽  
D. Hermida Merino ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Molecular Modeling ◽  
Molecular Packing ◽  
Structural Basis ◽  
X Ray ◽  
Packing Structure ◽  
X Ray Scattering ◽  
Wide Range ◽  
Blood Clots ◽  
Ray Scattering

ABSTRACTFibrin is the major extracellular component of blood clots and a proteinaceous hydrogel used as a versatile biomaterial. Fibrin forms branched networks of polymeric fibers, built of laterally associated double-stranded protofibrils. This multiscale hierarchical structure is crucial for the extraordinary mechanical resilience of blood clots. Yet, the structural basis of clot mechanical properties remains largely unclear due, in part, to the unresolved molecular packing structure of fibrin fibers. Here we quantitatively assess the packing structure of fibrin fibers by combining Small Angle X-ray Scattering (SAXS) measurements of fibrin networks reconstituted under a wide range of conditions with computational molecular modeling of fibrin oligomers. The number, positions, and intensities of the Bragg peaks observed in the SAXS experiments were reproduced computationally based on the all-atom molecular structure of reconstructed fibrin protofibrils. Specifically, the model correctly predicts the intensities of the reflections of the 22.5 nm axial repeat, corresponding to the half-staggered longitudinal arrangement of fibrin molecules. In addition, the SAXS measurements showed that protofibrils within fibrin fibers have a partially ordered lateral arrangement with a characteristic transverse repeat distance of 13 nm, irrespective of the fiber thickness. These findings provide fundamental insights into the molecular structure of fibrin clots that underlies their biological and physical properties.

Molecular Modeling and Large-Angle X-ray Scattering Studies of the Structure of Semicrystalline Poly[bis(phenoxy)phosphazene]

1999 ◽  
Vol 11 (6) ◽  
pp. 1492-1497 ◽  
Author(s):  
Ruggero Caminiti ◽  
Mario Gleria ◽  
Kenny B. Lipkowitz ◽  
Giuseppe M. Lombardo ◽  
Giuseppe C. Pappalardo
Keyword(s):  
Molecular Modeling ◽  
Large Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

scholarly journals Molecular Packing of Amphiphilic Nanosheets Resolved by X-ray Scattering

2017 ◽  
Vol 121 (2) ◽  
pp. 1047-1054 ◽  
Author(s):  
Boris Harutyunyan ◽  
Adam Dannenhoffer ◽  
Sumit Kewalramani ◽  
Taner Aytun ◽  
Daniel J. Fairfield ◽  
...  
Keyword(s):  
Molecular Packing ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

scholarly journals Structural Analysis of an Echinococcus granulosus Actin-Fragmenting Protein by Small-Angle X-Ray Scattering Studies and Molecular Modeling

2006 ◽  
Vol 90 (9) ◽  
pp. 3216-3223 ◽  
Author(s):  
Eliana D. Grimm ◽  
Rodrigo V. Portugal ◽  
Mário de Oliveira Neto ◽  
Nádia H. Martins ◽  
Igor Polikarpov ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Structural Analysis ◽  
Echinococcus Granulosus ◽  
Small Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

Molecular modeling and small angle X-ray scattering studies of Hoplosternum littorale cathodic haemoglobin

2004 ◽  
Vol 325 (2) ◽  
pp. 487-493 ◽  
Author(s):  
P. Peres ◽  
F.R. Lombardi ◽  
G.C. dos Santos ◽  
J.R. Olivieri ◽  
F. Canduri ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Small Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Hoplosternum Littorale ◽  
Ray Scattering

Hierarchical structure of polybutene-1 in crystal blocks resulting from the form II to I solid-to-solid transition as revealed by small-angle X-ray scattering

Polymer ◽  
2020 ◽  
Vol 195 ◽  
pp. 122425 ◽  
Author(s):  
Yongna Qiao ◽  
Martha Schulz ◽  
Hai Wang ◽  
Ran Chen ◽  
Mareen Schäfer ◽  
...  
Keyword(s):  
Hierarchical Structure ◽  
Small Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering
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