Markus J Buehler

Summary

Affiliation: Massachusetts Institute of Technology
Country: USA

Publications

  1. ncbi request reprint Molecular mechanics of elastic and bendable caffeine co-crystals
    Chun Teh Chen
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Room 1 235A and B, Cambridge, Massachusetts 02139, USA
    Phys Chem Chem Phys 16:13165-71. 2014
  2. ncbi request reprint Modeling and additive manufacturing of bio-inspired composites with tunable fracture mechanical properties
    Leon S Dimas
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, USA
    Soft Matter 10:4436-42. 2014
  3. pmc Category theoretic analysis of hierarchical protein materials and social networks
    David I Spivak
    Department of Mathematics, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States of America
    PLoS ONE 6:e23911. 2011
  4. pmc Hierarchical structure controls nanomechanical properties of vimentin intermediate filaments
    Zhao Qin
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States of America
    PLoS ONE 4:e7294. 2009
  5. pmc Molecular mechanics of mineralized collagen fibrils in bone
    Arun K Nair
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
    Nat Commun 4:1724. 2013
  6. pmc Structural hierarchies define toughness and defect-tolerance despite simple and mechanically inferior brittle building blocks
    Dipanjan Sen
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, 77 Massachusetts Ave Room 1 235A and B, Cambridge, MA 02139, USA
    Sci Rep 1:35. 2011
  7. doi request reprint Tuning heterogeneous poly(dopamine) structures and mechanics: in silico covalent cross-linking and thin film nanoindentation
    Shangchao Lin
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
    Soft Matter 10:457-64. 2014
  8. ncbi request reprint Mechanics and molecular filtration performance of graphyne nanoweb membranes for selective water purification
    Shangchao Lin
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
    Nanoscale 5:11801-7. 2013
  9. doi request reprint Extended graphynes: simple scaling laws for stiffness, strength and fracture
    Steven W Cranford
    Center for Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, USA
    Nanoscale 4:7797-809. 2012
  10. pmc Nature designs tough collagen: explaining the nanostructure of collagen fibrils
    Markus J Buehler
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 272, Cambridge, MA 02139, USA
    Proc Natl Acad Sci U S A 103:12285-90. 2006

Collaborators

Detail Information

Publications85

  1. ncbi request reprint Molecular mechanics of elastic and bendable caffeine co-crystals
    Chun Teh Chen
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Room 1 235A and B, Cambridge, Massachusetts 02139, USA
    Phys Chem Chem Phys 16:13165-71. 2014
    ..This study might explain the remarkable elasticity of and is relevant to the design of high-performance organic materials with excellent self-healing or efficient stress dissipating properties. ..
  2. ncbi request reprint Modeling and additive manufacturing of bio-inspired composites with tunable fracture mechanical properties
    Leon S Dimas
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, USA
    Soft Matter 10:4436-42. 2014
    ..This work enables the tailored design and manufacturing of composites assembled from inferior building blocks, that obtain optimal combinations of stiffness and toughness. ..
  3. pmc Category theoretic analysis of hierarchical protein materials and social networks
    David I Spivak
    Department of Mathematics, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States of America
    PLoS ONE 6:e23911. 2011
    ....
  4. pmc Hierarchical structure controls nanomechanical properties of vimentin intermediate filaments
    Zhao Qin
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States of America
    PLoS ONE 4:e7294. 2009
    ....
  5. pmc Molecular mechanics of mineralized collagen fibrils in bone
    Arun K Nair
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
    Nat Commun 4:1724. 2013
    ..These findings reveal the mechanism by which bone is able to achieve superior energy dissipation and fracture resistance characteristics beyond its individual constituents...
  6. pmc Structural hierarchies define toughness and defect-tolerance despite simple and mechanically inferior brittle building blocks
    Dipanjan Sen
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, 77 Massachusetts Ave Room 1 235A and B, Cambridge, MA 02139, USA
    Sci Rep 1:35. 2011
    ..This presents a significant departure from the defect-tolerance of the base material, silica, which is brittle and highly sensitive even to extremely small nanometer-scale defects...
  7. doi request reprint Tuning heterogeneous poly(dopamine) structures and mechanics: in silico covalent cross-linking and thin film nanoindentation
    Shangchao Lin
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
    Soft Matter 10:457-64. 2014
    ....
  8. ncbi request reprint Mechanics and molecular filtration performance of graphyne nanoweb membranes for selective water purification
    Shangchao Lin
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
    Nanoscale 5:11801-7. 2013
    ....
  9. doi request reprint Extended graphynes: simple scaling laws for stiffness, strength and fracture
    Steven W Cranford
    Center for Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, USA
    Nanoscale 4:7797-809. 2012
    ..Finally, the specific modulus and strength (normalized by areal density) is found to be near-constant, suggesting applications for light-weight, yet structurally robust molecular components...
  10. pmc Nature designs tough collagen: explaining the nanostructure of collagen fibrils
    Markus J Buehler
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 272, Cambridge, MA 02139, USA
    Proc Natl Acad Sci U S A 103:12285-90. 2006
    ....
  11. doi request reprint Nanomechanics of collagen fibrils under varying cross-link densities: atomistic and continuum studies
    Markus J Buehler
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
    J Mech Behav Biomed Mater 1:59-67. 2008
    ..The simulation results are compared with recent nanomechanical experiments at the scale of tropocollagen molecules and collagen fibrils...
  12. pmc Entropic elasticity controls nanomechanics of single tropocollagen molecules
    Markus J Buehler
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, USA
    Biophys J 93:37-43. 2007
    ..Our molecular model is capable of describing different regimes of elastic and permanent deformation, without relying on empirical parameters, including a transition from entropic to energetic elasticity...
  13. doi request reprint Nanomechanical strength mechanisms of hierarchical biological materials and tissues
    Markus J Buehler
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Rm 1 235 A and B, Cambridge, MA, USA
    Comput Methods Biomech Biomed Engin 11:595-607. 2008
    ....
  14. doi request reprint Deformation and failure of protein materials in physiologically extreme conditions and disease
    Markus J Buehler
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
    Nat Mater 8:175-88. 2009
    ..We highlight opportunities to use knowledge gained from the integration of multiple scales with physical, biological and chemical concepts for potential applications in materials design and nanotechnology...
  15. ncbi request reprint Natural stiffening increases flaw tolerance of biological fibers
    Tristan Giesa
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, Massachusetts 02139, USA
    Phys Rev E Stat Nonlin Soft Matter Phys 86:041902. 2012
    ..Our study suggests that nonlinear stiffening provides a mechanism by which nanoscale mechanical properties can be scaled up, providing a means towards bioinspired fibrous material and structural design...
  16. ncbi request reprint Mechanical energy transfer and dissipation in fibrous beta-sheet-rich proteins
    Zhiping Xu
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235 A and B, Cambridge, Massachusetts 02139, USA
    Phys Rev E Stat Nonlin Soft Matter Phys 81:061910. 2010
    ....
  17. pmc Molecular and mesoscale mechanisms of osteogenesis imperfecta disease in collagen fibrils
    Alfonso Gautieri
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, USA
    Biophys J 97:857-65. 2009
    ..Our study explains how single point mutations can control the breakdown of tissue at much larger length scales, a question of great relevance for a broad class of genetic diseases...
  18. doi request reprint Molecular mechanics of silk nanostructures under varied mechanical loading
    Graham Bratzel
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
    Biopolymers 97:408-17. 2012
    ..The method used in this study could find broad applications in de novo design of silk-like tunable materials for an array of applications...
  19. doi request reprint Viscoelastic properties of model segments of collagen molecules
    Alfonso Gautieri
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Room 1 235A and B, Cambridge, MA, USA
    Matrix Biol 31:141-9. 2012
    ....
  20. doi request reprint Nanomechanical properties of vimentin intermediate filament dimers
    Zhao Qin
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, MA 02139, USA
    Nanotechnology 20:425101. 2009
    ....
  21. pmc Alpha-helical protein networks are self-protective and flaw-tolerant
    Theodor Ackbarow
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
    PLoS ONE 4:e6015. 2009
    ..Our findings may help to explain the ability of cells to undergo large deformation without catastrophic failure while providing significant mechanical resistance...
  22. doi request reprint Nanoconfinement of spider silk fibrils begets superior strength, extensibility, and toughness
    Tristan Giesa
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, Massachusetts 02139, United States
    Nano Lett 11:5038-46. 2011
    ..Our study reveals a general mechanism to map nanoscale properties to the macroscale and provides a potent design strategy toward novel fiber and bulk nanomaterials through hierarchical structures...
  23. doi request reprint Nonlinear material behaviour of spider silk yields robust webs
    Steven W Cranford
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
    Nature 482:72-6. 2012
    ..The superior performance of silk in webs is therefore not due merely to its exceptional ultimate strength and strain, but arises from the nonlinear response of silk threads to strain and their geometrical arrangement in a web...
  24. ncbi request reprint Strength limit of entropic elasticity in beta-sheet protein domains
    Sinan Keten
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Room 1 235A and B, Cambridge, Massachusetts 02139, USA
    Phys Rev E Stat Nonlin Soft Matter Phys 78:061913. 2008
    ..Our findings reveal that strength and elasticity are coupled and cannot be treated separately. The predictions of the model are compared with atomic force microscopy experiments of protein rupture...
  25. doi request reprint Self-folding and aggregation of amyloid nanofibrils
    Raffaella Paparcone
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Room 1 235A and B, Cambridge, MA, USA
    Nanoscale 3:1748-55. 2011
    ....
  26. doi request reprint Energy landscape, structure and rate effects on strength properties of alpha-helical proteins
    Jérémie Bertaud
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, MA 02139, USA
    J Phys Condens Matter 22:035102. 2010
    ..The mesoscale model reported here is generally applicable to other protein filaments that feature a serial array of domains that unfold under applied strain, where a similar length-dependent strength could be observed...
  27. doi request reprint Atomistic simulation of nanomechanical properties of Alzheimer's Abeta(1-40) amyloid fibrils under compressive and tensile loading
    Raffaella Paparcone
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Room 1 235A and B, Cambridge, MA, USA
    J Biomech 43:1196-201. 2010
    ..Our studies confirm that amyloids feature a very high stiffness, and elucidate the importance of the chemical and structural rearrangements of the fibrils during deformation...
  28. doi request reprint Geometric confinement governs the rupture strength of H-bond assemblies at a critical length scale
    Sinan Keten
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue Room 1 272, Cambridge, Massachusetts, USA
    Nano Lett 8:743-8. 2008
    ..Our results explain recent experimental proteomics data, suggesting a correlation between the shear strength and the prevalence of beta-strand lengths in biology...
  29. doi request reprint Thickness of hydroxyapatite nanocrystal controls mechanical properties of the collagen-hydroxyapatite interface
    Zhao Qin
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235 A and B, Cambridge, Massachusetts 02139, USA
    Langmuir 28:1982-92. 2012
    ..We also show that the collagen-hydroxyapatite interface can be modeled with an elastic network model which, based on the results of atomistic simulations, provides a good estimate of the surface energy and other mechanical features...
  30. doi request reprint Strain controlled thermomutability of single-walled carbon nanotubes
    Zhiping Xu
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
    Nanotechnology 20:185701. 2009
    ..This thermomutability concept--the ability to control thermal properties by means of external cues--could be used in developing novel thermal materials whose properties can be altered in situ...
  31. doi request reprint Coiled-coil intermediate filament stutter instability and molecular unfolding
    Melis Arslan
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
    Comput Methods Biomech Biomed Engin 14:483-9. 2011
    ..As a result it features a smaller local bending stiffness than other segments and presents a seed for the initiation of molecular bending and unfolding at large deformation...
  32. ncbi request reprint Molecular and nanostructural mechanisms of deformation, strength and toughness of spider silk fibrils
    Andrea Nova
    Department of Civil and Environmental Engineering, Massachusetts Institute ofTechnology, Cambridge, Massachusetts 02139, USA
    Nano Lett 10:2626-34. 2010
    ....
  33. doi request reprint Hierarchical structure and nanomechanics of collagen microfibrils from the atomistic scale up
    Alfonso Gautieri
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
    Nano Lett 11:757-66. 2011
    ....
  34. doi request reprint Influence of geometry on mechanical properties of bio-inspired silica-based hierarchical materials
    Leon S Dimas
    Department of Civil and Environmental Engineering, Laboratory for Atomistic and Molecular Mechanics, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA 02139, USA
    Bioinspir Biomim 7:036024. 2012
    ....
  35. pmc Single molecule effects of osteogenesis imperfecta mutations in tropocollagen protein domains
    Alfonso Gautieri
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
    Protein Sci 18:161-8. 2009
    ....
  36. doi request reprint Fracture mechanics of hydroxyapatite single crystals under geometric confinement
    Flavia Libonati
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA 02139, USA
    J Mech Behav Biomed Mater 20:184-91. 2013
    ..This study directly confirms an earlier suggestion of a flaw-tolerant state that appears under geometric confinement and may explain the mechanical stability of the reinforcing HAP platelets in bone...
  37. doi request reprint A multi-scale approach to understand the mechanobiology of intermediate filaments
    Zhao Qin
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, MA 02139, USA
    J Biomech 43:15-22. 2010
    ..Then we will discuss how mechanical forces may interact with IFs in vivo both directly and through the activation of other proteins such as kinases...
  38. ncbi request reprint Asymptotic strength limit of hydrogen-bond assemblies in proteins at vanishing pulling rates
    Sinan Keten
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
    Phys Rev Lett 100:198301. 2008
    ..This result explains earlier experimental and computational observations that indicate an asymptotical strength limit at vanishing pulling rates...
  39. doi request reprint Alport syndrome mutations in type IV tropocollagen alter molecular structure and nanomechanical properties
    Maya Srinivasan
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
    J Struct Biol 168:503-10. 2009
    ..These results suggest that localized structural changes at amino acid level induce severe alterations of the molecular properties. Our study opens a new approach in pursuing a bottom-up multi-scale analysis of this disease...
  40. ncbi request reprint Cooperative deformation of hydrogen bonds in beta-strands and beta-sheet nanocrystals
    Zhao Qin
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
    Phys Rev E Stat Nonlin Soft Matter Phys 82:061906. 2010
    ....
  41. doi request reprint A constitutive model of soft tissue: from nanoscale collagen to tissue continuum
    Huang Tang
    Department of Civil and Environmental Engineering, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208 3109, USA
    Ann Biomed Eng 37:1117-30. 2009
    ....
  42. doi request reprint Nanoconfinement and the strength of biopolymers
    Tristan Giesa
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
    Annu Rev Biophys 42:651-73. 2013
    ..We also discuss the application of confinement as a mechanism to tailor specific material properties in biological systems...
  43. pmc A review of combined experimental and computational procedures for assessing biopolymer structure-process-property relationships
    Greta Gronau
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Mass Ave, Cambridge, MA 02139, USA
    Biomaterials 33:8240-55. 2012
    ..The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general...
  44. doi request reprint Hydration and distance dependence of intermolecular shearing between collagen molecules in a model microfibril
    Alfonso Gautieri
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
    J Biomech 45:2079-83. 2012
    ..Moreover, the average force required to shear is approximately the same in solvated as in dry conditions (≈2.5 nN), which suggests that the role of water at the intermolecular level includes the transfer of load between molecules...
  45. doi request reprint Sequence-structure correlations in silk: Poly-Ala repeat of N. clavipes MaSp1 is naturally optimized at a critical length scale
    Graham Bratzel
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Room 1 235A and B, Cambridge, MA, USA
    J Mech Behav Biomed Mater 7:30-40. 2012
    ..The approach used here may also find application in the design of other self-assembled molecular structures and fibers and in particular biologically inspired or completely synthetic systems...
  46. doi request reprint Tunable nanomechanics of protein disulfide bonds in redox microenvironments
    Sinan Keten
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Room 1 235A and B, Cambridge, MA 02139, United States
    J Mech Behav Biomed Mater 5:32-40. 2012
    ..The method used here provides a general computational protocol for studying mechanochemical fracture of large-scale protein materials concurrently with experimental efforts...
  47. doi request reprint Nanoconfinement controls stiffness, strength and mechanical toughness of beta-sheet crystals in silk
    Sinan Keten
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, Massachusetts 02139, USA
    Nat Mater 9:359-67. 2010
    ..Our findings explain how size effects can be exploited to create bioinspired materials with superior mechanical properties in spite of relying on mechanically inferior, weak hydrogen bonds...
  48. doi request reprint Mutations alter the geometry and mechanical properties of Alzheimer's Aβ(1-40) amyloid fibrils
    Raffaella Paparcone
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 4301, USA
    Biochemistry 49:8967-77. 2010
    ....
  49. ncbi request reprint Tearing graphene sheets from adhesive substrates produces tapered nanoribbons
    Dipanjan Sen
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
    Small 6:1108-16. 2010
    ..By considering graphene as a model material for a broader class of two-dimensional atomic crystals, these results provide fundamental insights into the tearing and cracking mechanisms of highly confined nanomaterials...
  50. pmc Alzheimer's abeta(1-40) amyloid fibrils feature size-dependent mechanical properties
    Zhiping Xu
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, USA
    Biophys J 98:2053-62. 2010
    ..This issue is of great importance for comparing experimental and simulation results, and gaining a general understanding of the biological mechanisms underlying the growth of ectopic amyloid materials...
  51. pmc Nanostructure and molecular mechanics of spider dragline silk protein assemblies
    Sinan Keten
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, USA
    J R Soc Interface 7:1709-21. 2010
    ..Our findings set the stage for extensive atomistic investigations of silk, which may contribute towards an improved understanding of the source of the strength and toughness of this biological superfibre...
  52. doi request reprint Selective hydrogen purification through graphdiyne under ambient temperature and pressure
    Steven W Cranford
    Center for Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, USA
    Nanoscale 4:4587-93. 2012
    ....
  53. doi request reprint Hierarchical graphene nanoribbon assemblies feature unique electronic and mechanical properties
    Zhiping Xu
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Laboratory for Atomistic and Molecular Mechanics, Cambridge 02139, MA, USA
    Nanotechnology 20:375704. 2009
    ..The tuning of bulk material properties through controlling the nanostructure enables the synthesis of a broader class of biomimetic multifunctional mechanomutable and electromutable nanomaterials for electromechanical applications...
  54. doi request reprint In silico assembly and nanomechanical characterization of carbon nanotube buckypaper
    Steven W Cranford
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, USA
    Nanotechnology 21:265706. 2010
    ....
  55. pmc Hierarchies, multiple energy barriers, and robustness govern the fracture mechanics of alpha-helical and beta-sheet protein domains
    Theodor Ackbarow
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
    Proc Natl Acad Sci U S A 104:16410-5. 2007
    ..6 HBs per turn. Our results provide evidence that the molecular structure of AHs maximizes its robustness at minimal use of building materials...
  56. ncbi request reprint Self-assembly of tetramers of 5,6-dihydroxyindole explains the primary physical properties of eumelanin: experiment, simulation, and design
    Chun Teh Chen
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, Massachusetts 02139, USA
    ACS Nano 7:1524-32. 2013
    ....
  57. doi request reprint What's inside the box? - Length-scales that govern fracture processes of polymer fibers
    Tristan Giesa
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Mass Ave Room 1 235A and B, Cambridge, MA, 02139, USA
    Adv Mater 26:412-7. 2014
    ..Instead, the fracture strength of a fiber depends strongly on the length-scale of observation, including a fiber's sensitivity with respect to cracks and other flaws. ..
  58. pmc The role of capture spiral silk properties in the diversification of orb webs
    Anna Tarakanova
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
    J R Soc Interface 9:3240-8. 2012
    ..Additionally, we observe that in webs with more extensible capture silk, the effect of thread strength on web performance is reduced, indicating that thread elasticity is a dominant driving factor in web diversification...
  59. doi request reprint Cooperativity governs the size and structure of biological interfaces
    Zhao Qin
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge 02139, MA, USA
    J Biomech 45:2778-83. 2012
    ..A general model is proposed that explains the size and structure of biological interfaces from a fundamental point of view...
  60. doi request reprint Nanomechanical sequencing of collagen: tropocollagen features heterogeneous elastic properties at the nanoscale
    Sebastien G M Uzel
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Room 1 235A and B, Cambridge, MA, USA
    Integr Biol (Camb) 1:452-9. 2009
    ....
  61. ncbi request reprint Molecular dynamics simulation of the α-helix to β-sheet transition in coiled protein filaments: evidence for a critical filament length scale
    Zhao Qin
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue Room 1 235A and B, Cambridge, Massachusetts 02139, USA
    Phys Rev Lett 104:198304. 2010
    ..Our study elucidates the fundamental physics of this mechanism and explains why the α-β transition typically occurs in protein filaments with long alpha-helical domains...
  62. doi request reprint Muscle dystrophy single point mutation in the 2B segment of lamin A does not affect the mechanical properties at the dimer level
    Huanan Zhang
    Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
    J Biomech 41:1295-301. 2008
    ....
  63. ncbi request reprint Excitonic effects from geometric order and disorder explain broadband optical absorption in eumelanin
    Chun Teh Chen
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, Massachusetts 02139, USA
    Nat Commun 5:3859. 2014
    ..These findings show that the geometric disorder model is as able as the chemical disorder model, and complements this model, to describe the optical properties of eumelanin. ..
  64. ncbi request reprint Age- and diabetes-related nonenzymatic crosslinks in collagen fibrils: candidate amino acids involved in Advanced Glycation End-products
    Alfonso Gautieri
    Biomechanics Group, Department of Electronics, Information and Bioengineering, Politecnico di Milano, Milan, Italy Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Cambridge, MA, USA Electronic address
    Matrix Biol 34:89-95. 2014
    ..Altogether, these findings reveal the molecular mechanism by which glycation affects the biological properties of collagen tissues, which in turn contribute to age- and diabetes-related pathological states. ..
  65. pmc Structural and mechanical differences between collagen homo- and heterotrimers: relevance for the molecular origin of brittle bone disease
    Shu Wei Chang
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, USA
    Biophys J 102:640-8. 2012
    ....
  66. doi request reprint Comparative analysis of nanomechanics of protein filaments under lateral loading
    Max Solar
    Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, USA
    Nanoscale 4:1177-83. 2012
    ....
  67. pmc Cyclic tensile strain triggers a sequence of autocrine and paracrine signaling to regulate angiogenic sprouting in human vascular cells
    Yu Ching Yung
    Harvard School of Engineering and Applied Sciences, Harvard University, Cambridge, MA 02138, USA
    Proc Natl Acad Sci U S A 106:15279-84. 2009
    ..These results demonstrate that a singular mechanical cue (cyclic tensile strain) can trigger a cascade of autocrine and paracrine signaling events between ECs and SMCs critical to the angiogenic process...
  68. doi request reprint Intermediate filament-deficient cells are mechanically softer at large deformation: a multi-scale simulation study
    Jérémie Bertaud
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
    Acta Biomater 6:2457-66. 2010
    ..Our model opens the door to future studies to investigate disease states, the effects of amino acid mutations and how structural changes at different levels in the cell's structural makeup influence biomechanical properties...
  69. doi request reprint Failure of Aβ(1-40) amyloid fibrils under tensile loading
    Raffaella Paparcone
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
    Biomaterials 32:3367-74. 2011
    ..We use a combination of simulation results and simple theoretical models to define critical fibril lengths where distinct failure mechanisms dominate...
  70. doi request reprint Molecular structure, mechanical behavior and failure mechanism of the C-terminal cross-link domain in type I collagen
    Sebastien G M Uzel
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, USA
    J Mech Behav Biomed Mater 4:153-61. 2011
    ....
  71. doi request reprint Structure and mechanical properties of human trichocyte keratin intermediate filament protein
    Chia Ching Chou
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A, B, Cambridge, MA 02139, USA
    Biomacromolecules 13:3522-32. 2012
    ..Moreover, the availability of an atomistic model of this protein opens the possibility to study the mechanical properties of hair fibrils and other fibers from a bottom-up perspective...
  72. doi request reprint Composite materials. Taking a leaf from nature's book
    Max I Solar
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
    Nat Nanotechnol 7:417-9. 2012
    ..Amyloid protein fibrils and graphene sheets can be combined to make a material that is biodegradable and has useful shape-memory and enzyme-sensing properties...
  73. pmc Molecular mechanism of force induced stabilization of collagen against enzymatic breakdown
    Shu Wei Chang
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
    Biomaterials 33:3852-9. 2012
    ..Our study explains the molecular mechanism by which force may regulate the formation and breakdown of collagenous tissue...
  74. ncbi request reprint Geometry and temperature effects of the interfacial thermal conductance in copper- and nickel-graphene nanocomposites
    Shu Wei Chang
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, MA 02139, USA
    J Phys Condens Matter 24:245301. 2012
    ..Our results suggest that designs combining metal with single graphene layers provide the best thermal properties...
  75. pmc Structure and stability of the lamin A tail domain and HGPS mutant
    Zhao Qin
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Mass Ave, Room 1 235A and B, Cambridge, MA 02139, USA
    J Struct Biol 175:425-33. 2011
    ..Also, this study provides the first molecular structure(s) of the lamin A tail domain, which is confirmed by thermodynamic tests in experiment...
  76. ncbi request reprint Atomistic study of crack-tip cleavage to dislocation emission transition in silicon single crystals
    Dipanjan Sen
    Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
    Phys Rev Lett 104:235502. 2010
    ..By solely raising the temperature, we observe an abrupt change from brittle cracking to dislocation emission from a crack within a ≈10  K temperature interval...
  77. ncbi request reprint A multi-timescale strength model of alpha-helical protein domains
    Theodor Ackbarow
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue Room 1 235A and B, Cambridge, MA, USA Max Planck Institute of Colloids and Interfaces, Science Park Golm, 14424 Potsdam, Germany
    J Phys Condens Matter 21:035111. 2009
    ..Our model provides a novel perspective on the strength of protein domains at ultra-slow pulling speeds relevant under physiologic and experimental conditions...
  78. doi request reprint Structure and dynamics of human vimentin intermediate filament dimer and tetramer in explicit and implicit solvent models
    Zhao Qin
    Center for Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, USA
    J Mol Model 17:37-48. 2011
    ....
  79. doi request reprint Heat dissipation at a graphene-substrate interface
    Zhiping Xu
    Department of Engineering Mechanics and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084, People s Republic of China Laboratory for Atomic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
    J Phys Condens Matter 24:475305. 2012
    ....
  80. pmc Bond energy effects on strength, cooperativity and robustness of molecular structures
    Chia Ching Chou
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue Room 1 235A and B, Cambridge, MA 02139, USA
    Interface Focus 1:734-43. 2011
    ..We conclude our analysis with a correlation of structural data of natural protein structures, which confirms the conclusions derived from our study...
  81. ncbi request reprint Hydration of calcium oxide surface predicted by reactive force field molecular dynamics
    Hegoi Manzano
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, United States
    Langmuir 28:4187-97. 2012
    ..This transformation is the most probable reason for the CaO catalytic activity decrease...
  82. ncbi request reprint Interface structure and mechanics between graphene and metal substrates: a first-principles study
    Zhiping Xu
    Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
    J Phys Condens Matter 22:485301. 2010
    ..The availability of structural and energetic data of graphene-metal interfaces could also be useful for the development of empirical force fields for molecular dynamics simulations...
  83. ncbi request reprint Hierarchical nanostructures are crucial to mitigate ultrasmall thermal point loads
    Zhiping Xu
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
    Nano Lett 9:2065-72. 2009
    ..Our work brings about a synergistic viewpoint that combines advances in materials synthesis and insight gained from hierarchical biological structures, utilized to create novel functional materials with exceptional thermal properties...
  84. ncbi request reprint Flaw tolerance of nuclear intermediate filament lamina under extreme mechanical deformation
    Zhao Qin
    Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
    ACS Nano 5:3034-42. 2011
    ....
  85. ncbi request reprint Alpha-helical protein domains unify strength and robustness through hierarchical nanostructures
    Theodor Ackbarow
    Department of Civil and Environmental Engineering, Laboratory for Atomistic and Molecular Mechanics, Massachusetts Institute of Technology, Cambridge, MA, USA
    Nanotechnology 20:75103. 2009
    ....