Cargando…

Combined Molecular Dynamics and DFT Simulation Study of the Molecular and Polymer Properties of a Catechol-Based Cyclic Oligomer of Polyether Ether Ketone

The geometrical, energetic, noncovalent, and material properties of a catechol-based cyclic oligomer of Polyether Ether Ketone (PEEK) called o-PEEK were investigated using Molecular Dynamics (MD) and Density Functional Theory (DFT) simulations. The DFT (and MD) calculation performed with the PBEsol...

Descripción completa

Detalles Bibliográficos
Autor principal:	Varadwaj, Pradeep R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7285100/ https://www.ncbi.nlm.nih.gov/pubmed/32375392 http://dx.doi.org/10.3390/polym12051054

Ejemplares similares

Fatigue data for polyether ether ketone (PEEK) under fully-reversed cyclic loading
por: Shrestha, Rakish, et al.
Publicado: (2016)

Research on the Fused Deposition Modeling of Polyether Ether Ketone
por: Gao, Ruoxiang, et al.
Publicado: (2021)

Performance of Graphene-Based and Polyether-Ether-Ketone Polymers as Removable Partial Denture Esthetic Clasp Materials after Cyclic Fatigue
por: Hussein, Mostafa Omran
Publicado: (2022)

Three-Dimensional-Printed Polyether Ether Ketone Implants for Orthopedics
por: Haleem, Abid, et al.
Publicado: (2019)

Development and Evaluation of Polyether Ether Ketone (PEEK) Capillary for Electrospray
por: Sögaard, Christian, et al.
Publicado: (2019)

The Role of Polyether Ether Ketone (Peek) in Dentistry – A Review
por: Bathala, Lakshmana, et al.
Publicado: (2019)

Biologically Modified Polyether Ether Ketone as Dental Implant Material
por: Ma, Zhangyu, et al.
Publicado: (2020)

An In vitro Assessment of Retention Force of ZrO(2), Polyether Ether Ketone, and ZrO(2)-Polyether Ether Ketone Telescopic Attachment for Mandibular Overdentures
por: Jena, Siba Prasad, et al.
Publicado: (2022)

Effects of the Applied Potential on the Performance of Polysulfone Membranes Functionalized with Sulfonated Polyether Ether Ketone Polymers
por: Fionah, Abelline, et al.
Publicado: (2023)

Improvement of the Surface Properties of Polyether Ether Ketone via Arc Evaporation for Biomedical Applications
por: Fedotkin, Alexander Y., et al.
Publicado: (2023)

Interfacial Fracture Toughness Comparison of Three Indirect Resin Composites to Dentin and Polyether Ether Ketone Polymer
por: Khalesi, Rayhaneh, et al.
Publicado: (2020)

In Vitro Evaluation of Bioactivity of Chemically Deposited Hydroxyapatite on Polyether Ether Ketone
por: Almasi, D., et al.
Publicado: (2015)

Shear bond strength of different luting agents to polyether ether ketone
por: Pourkhalili, Hossein, et al.
Publicado: (2022)

Effects on the Thermo-Mechanical and Interfacial Performance of Newly Developed PI-Sized Carbon Fiber–Polyether Ether Ketone Composites: Experiments and Molecular Dynamics Simulations
por: Jung, Hana, et al.
Publicado: (2023)

Carbon fibre/polyether ether ketone (CF/PEEK) implants in orthopaedic oncology
por: Laux, Christoph J., et al.
Publicado: (2018)

Study of High Performance Sulfonated Polyether Ether Ketone Composite Electrolyte Membranes
por: Wu, Gwomei, et al.
Publicado: (2019)

Study of Drilling Process by Cooling Compressed Air in Reinforced Polyether-Ether-Ketone
por: Domingo, Rosario, et al.
Publicado: (2020)

The efficacy of polyether‐ether‐ketone wire as a retainer following orthodontic treatment
por: Kadhum, Ammar Salim, et al.
Publicado: (2020)

Behavior of polyether-ether-ketone (PEEK) in prostheses on dental implants. A review
por: Blanch-Martínez, Natalia, et al.
Publicado: (2021)

Effects of Raster Angle and Material Components on Mechanical Properties of Polyether-Ether-Ketone/Calcium Silicate Scaffolds
por: Zheng, Jibao, et al.
Publicado: (2021)

Composite Sulfonated Polyether-Ether Ketone Membranes with SBA-15 for Electrochemical Energy Systems
por: Rico-Zavala, A., et al.
Publicado: (2020)

Additive manufactured polyether-ether-ketone implants for orthopaedic applications: a narrative review
por: Sun, Changning, et al.
Publicado: (2022)

Non-suppurative Tissue Reaction to Polyether Ether Ketone Anchor in Rotator Cuff Repair
por: Khuntia, Susanta Kumar, et al.
Publicado: (2022)

Comparison of the Retention and Fit of Polyether Ether Ketone Clasps during Fatigue Circulation Tests()
por: Wu, Su, et al.
Publicado: (2023)

Evaluation of the failure modes and load-bearing capacity of different surface-treated polyether ether ketone copings veneered with lithium di-silicate compared to polyether ether ketone copings veneered with composite: An in vitro study
por: Gupta, Abhishek Kumar, et al.
Publicado: (2021)

Fatigue and Fracture Resistance Testing of Polyether Ether Ketone (PEEK) Implant Abutments in an Ex Vivo Chewing Simulator Model
por: Saravi, Babak, et al.
Publicado: (2022)

Studying the effect of polymethyl methacrylate polymer opticals fibers (POFs) on the performance of composite materials based on the polyether ether ketone (PEEK) polymer matrix
por: Belkheir, Mohammed, et al.
Publicado: (2022)

Enhancement of surface bioactivity on carbon fiber-reinforced polyether ether ketone via graphene modification
por: Yan, Jin-Hong, et al.
Publicado: (2018)

Biomechanical Behavior of an Implant System Using Polyether Ether Ketone Bar: Finite Element Analysis
por: Jaros, Otávio Augusto Luitz, et al.
Publicado: (2018)

Additive Manufacturing of Polyether Ether Ketone (PEEK) for Space Applications: A Nanosat Polymeric Structure
por: Rinaldi, Marianna, et al.
Publicado: (2020)

On the mechanical aspect of additive manufactured polyether-ether-ketone scaffold for repair of large bone defects
por: Naghavi, Seyed Ataollah, et al.
Publicado: (2022)

Retentive Forces and Deformation of Fitting Surface in RPD Clasp Made of Polyether-Ether-Ketone (PEEK)
por: Vaddamanu, Sunil Kumar, et al.
Publicado: (2023)

Additively manufactured polyether ether ketone (PEEK) skull implant as an alternative to titanium mesh in cranioplasty
por: Zhang, Jiaqi, et al.
Publicado: (2022)

Polyether-Ether-Ketone (PEEK) and Its 3D-Printed Quantitate Assessment in Cranial Reconstruction
por: Moiduddin, Khaja, et al.
Publicado: (2023)

Surface modification of Polyether-ether-ketone for enhanced cell response: a chemical etching approach
por: Dua, Rupak, et al.
Publicado: (2023)

Elucidating the Water and Methanol Dynamics in Sulfonated Polyether Ether Ketone Nanocomposite Membranes Bearing Layered Double Hydroxides
por: Lufrano, Ernestino, et al.
Publicado: (2022)

Molecular Dynamics Simulation of Poly(Ether Ether Ketone) (PEEK) Polymer to Analyze Intermolecular Ordering by Low Wavenumber Raman Spectroscopy and X-ray Diffraction
por: Yang, Xiaoran, et al.
Publicado: (2022)

PEEK (Polyether-ether-ketone) Based Cervical Total Disc Arthroplasty: Contact Stress and Lubrication Analysis
por: Xin, H, et al.
Publicado: (2012)

Comparison of the Bond Strength of Composite Resin to Zirconia and Composite Resin to Polyether Ether Ketone: An In Vitro Study
por: Sarfaraz, Hasan, et al.
Publicado: (2020)

Hole Morphology and Keyhole Evolution during Single Pulse Laser Drilling on Polyether-Ether-Ketone (PEEK)
por: Zhang, Yanmei, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_u75ahih7h91kkd9qa1vskcc2pu