Osteoporosis diagnosis through multiscale modeling of bone fracture using the boundary element method, molecular dynamics, and other computational methods

• Grant number: 22/03410-4
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate (Direct)
• Start date: August 01, 2022
• End date: July 31, 2023
• Field of knowledge: Engineering - Mechanical Engineering - Mechanics of Solids
• Principal Investigator: Munir Salomao Skaf
• Grantee: Amadeus Cavalcanti Salvador de Alcântara
• Supervisor: Markus J. Buehler
• Host Institution: Faculdade de Engenharia Mecânica (FEM). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Institution abroad: Massachusetts Institute of Technology (MIT), United States
• Associated to the scholarship: 18/18503-2 - Osteoporosis diagnosis through multiscale modeling of bone fracture using the boundary element method and molecular dynamics, BP.DD

Abstract

Osteoporosis-induced bone fracture is a major health concern. The rising average life expectancy implies that a greater fraction of the population will be afflicted by osteoporosis, a chronic condition which decreases bone toughness and increases fracture risk by deteriorating tissue structure from the molecular to the macroscopic length scale. If current medical diagnosis technologies remain unimproved, osteoporosis-induced bone fracture will become a heavier social and financial burden for health care systems worldwide. By identifying bone structure failure criteria and correlating them to early signs of tissue deterioration, predictive diagnosis will be improved. A novel approach is proposed to the early diagnosis of fracture in osteoporotic bone tissue: the 3D multiscale modeling and simulation of osteoporosis-induced bone fracture using the Boundary Element Method, Molecular Dynamics, and other Computational Methods. Since the simulation domain is defined from Computed Tomography data, simulation analysis produces patient-specific bone fracture risk analysis. (AU)

Scientific publications

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

EHRLICH, HERMANN; MIKSIK, IVAN; TSURKAN, MIKHAIL V.; SIMON, PAUL; PORZUCEK, FILIP; RYBKA, JAKUB DALIBOR; MANKOWSKA, MONIKA; GALLI, ROBERTA; VIEHWEGER, CHRISTINE; BRENDLER, ERICA; et al. Discovery of mammalian collagens I and III within ancient poriferan biopolymer spongin. NATURE COMMUNICATIONS, v. 16, n. 1, p. 13-pg., 2025-03-13. (13/08293-7, 18/18503-2, 22/04695-2, 22/04703-5, 22/03410-4)

KHARE, EESHA; DE ALCANTARA, AMADEUS C. S.; LEE, NIC; SKAF, MUNIR S.; BUEHLER, MARKUS J.. Crosslinker energy landscape effects on dynamic mechanical properties of ideal polymer hydrogels. MATERIALS ADVANCES, v. 5, n. 5, p. 7-pg., 2024-01-11. (13/08293-7, 18/18503-2, 22/03410-4)

C. S. DE ALCANTARA, AMADEUS; MILAZZO, MARIO; KHARE, EESHA; SKAF, MUNIR S.; THOMOPOULOS, STAVROS; GENIN, GUY M.; BUEHLER, MARKUS J.. Molecular-Scale Interactions at Mineralized Collagen Interfaces Prevent Network Percolation, Preserving Compliance. ACS NANO, v. 19, n. 35, p. 13-pg., 2025-08-27. (18/18503-2, 22/03410-4, 13/08293-7)