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

• Grant number: 18/18503-2
• Support Opportunities: Scholarships in Brazil - Doctorate (Direct)
• Start date: March 01, 2019
• End date: March 31, 2024
• Field of knowledge: Engineering - Biomedical Engineering - Bioengineering
• Principal Investigator: Munir Salomao Skaf
• Grantee: Amadeus Cavalcanti Salvador de Alcântara
• Host Institution: Faculdade de Engenharia Mecânica (FEM). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated scholarship(s): 22/03410-4 - Osteoporosis diagnosis through multiscale modeling of bone fracture using the boundary element method, molecular dynamics, and other computational methods, BE.EP.DD

Abstract

Osteoporosis-induced bone fracture is a major health concern. The rising average life expectancy implies that agreater fraction of the population will be afflicted by Osteoporosis, a chronic condition which decreases bonetoughness and increases fracture risk by deteriorating tissue structure from the molecular to the macroscopiclength scale. If current medical diagnosis technologies remain unimproved, Osteoporosis-induced bone fracturewill become a heavier social and financial burden for health care systems worldwide. By identifying bonestructure failure criteria and correlating them to early signs of tissue deterioration, predictive diagnosis willbe 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 and molecular dynamics. Since the simulation domain is defined from computed tomography data, simulation analysis produces patient-specific bone fracture risk analysis. (AU)

Scientific publications

(7)

(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)

DE ALCANTARA, AMADEUS C. S.; FELIX, LEVI C.; GALVAO, DOUGLAS S.; SOLLERO, PAULO; SKAF, MUNIR S.. The Role of the Extrafibrillar Volume on the Mechanical Properties of Molecular Models of Mineralized Bone Microfibrils. ACS BIOMATERIALS SCIENCE & ENGINEERING, v. 9, n. 1, p. 16-pg., 2023-01-09. (13/08293-7, 18/18503-2)

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)

TRENTIN, LUCAS N.; ALCANTARA, AMADEUS C. S.; BATISTA, CARLOS G. T.; SKAF, MUNIR S.. Unraveling the Mechanical Behavior of Softwood Secondary Cell Walls through Atomistic Simulations. Biomacromolecules, v. 26, n. 6, p. 15-pg., 2025-05-27. (19/17373-0, 19/17874-0, 18/18503-2, 13/08293-7)

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)

DE ALCANTARA, AMADEUS C. S.; FELIX, LEVI C.; GALVAO, DOUGLAS S.; SOLLERO, PAULO; SKAF, MUNIR S.. The Role of the Extrafibrillar Volume on the Mechanical Properties of Molecular Models of Mineralized Bone Microfibrils. ACS BIOMATERIALS SCIENCE & ENGINEERING, v. N/A, p. 16-pg., 2022-12-09. (18/18503-2, 13/08293-7, 18/11352-9)

ALCANTARA, AMADEUS C. S.; ASSIS, ISRAEL; PRADA, DANIEL; MEHLE, KONRAD; SCHWAN, STEFAN; COSTA-PAIVA, LUCIA; SKAF, MUNIR S.; WROBEL, LUIZ C.; SOLLERO, PAULO. Patient-Specific Bone Multiscale Modelling, Fracture Simulation and Risk Analysis-A Survey. MATERIALS, v. 13, n. 1, JAN 1 2020. (13/08293-7, 18/18503-2)

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)

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

ALCÂNTARA, Amadeus Cavalcanti Salvador de. Uma abordagem de modelagem multiescala para tecidos ósseos partindo da nanoescala. 2024. Doctoral Thesis - Universidade Estadual de Campinas (UNICAMP). Faculdade de Engenharia Mecânica Campinas, SP.