Multiscale Simulation as a Framework for the Enhanced Design of Nanodiamond-Polyethylenimine-Based Gene Delivery

Kim, Hansung; Man, Han; Saha, Biswajit; Kopacz, Adrian M.; Lee, One Sun; Schatz, George C.; Ho, Dean; Liu, Wing Kam

doi:10.1021/jz301756e

Cited by 46 publications

(44 citation statements)

References 54 publications

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“…By contrast, the clathrin-dependent endocytosis pathway delivers the siRNA and its carrier to the lysosomal compartment, in which siRNA hydrolysis probably occurs. 63 In an interesting study Kim et al 64 developed a modeling framework to accurately guide the design of ND-PEI gene platforms and elucidate binding mechanisms between NDs, PEI, and siRNA. This is among the first NDs simulations to comprehensively account for NDs size, charge distribution, surface functionalization, and graphitization.…”

Section: Gene Therapymentioning

confidence: 99%

“…Remarkably, the model is able to predict loading trends and saturation limits for PEI and siRNA while confirming the essential role of ND surface functionalization in mediating ND-PEI interactions. 64 Functional nanodiamonds (NDs) were also used to develop tools for DNA detection. Covalent, stable and functional conjugate of peptide nucleic acids (PNA) with 20 nm HPHT (High Pressure High Temperature) nanodiamonds were prepared.…”

Section: Gene Therapymentioning

confidence: 99%

See 1 more Smart Citation

Biomedical Applications of Nanodiamonds: An Overview

Passeri¹,

Rinaldi²,

Ingallina³

et al. 2015

j nanosci nanotechnol

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Nanodiamonds are a novel class of nanomaterials which have raised much attention for application in biomedical field, as they combine the possibility of being produced on large scale using relatively inexpensive synthetic processes, of being fluorescent as a consequence of the presence of nitrogen vacancies, of having their surfaces functionalized, and of having good biocompatibility. Among other applications, we mainly focus on drug delivery, including cell interaction, targeting, cancer therapy, gene and protein delivery. In addition, nanodiamonds for bone and dental implants and for antibacterial use is discussed. Techniques for detection and imaging of nanodiamonds in biological tissues are also reviewed, including electron microscopy, fluorescence microscopy, Raman mapping, atomic force microscopy, thermal imaging, magnetic resonance imaging, and positron emission tomography, either in vitro, in vivo, or ex vivo. Toxicological aspects related to the use of nanodiamonds are also discussed. Finally, patents, preclinical and clinical trials based on the use of nanodiamonds for biomedical applications are reviewed.

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Section: Gene Therapymentioning

confidence: 99%

Section: Gene Therapymentioning

confidence: 99%

Biomedical Applications of Nanodiamonds: An Overview

Passeri¹,

Rinaldi²,

Ingallina³

et al. 2015

j nanosci nanotechnol

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show abstract

“…Although researchers now have a greatly expanded set of knobs to turn when designing NPs, it is generally not clear how a change to a specific vehicle feature will alter the effectiveness of a drug, and hence design of novel drug carriers requires extensive and costly parametric studies that are generally specific to the system upon which the experiments were performed. Theoretical and computational modelling of the delivery process can greatly reduce the need for physical experiments and provide general design principles to expedite the design process [4][5][6][7][8][9].…”

Section: Overviewmentioning

confidence: 99%

USNCTAM perspectives on mechanics in medicine

Bao

Bazilevs

Chung

et al. 2014

J. R. Soc. Interface.

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Over decades, the theoretical and applied mechanics community has developed sophisticated approaches for analysing the behaviour of complex engineering systems. Most of these approaches have targeted systems in the transportation, materials, defence and energy industries. Applying and further developing engineering approaches for understanding, predicting and modulating the response of complicated biomedical processes not only holds great promise in meeting societal needs, but also poses serious challenges. This report, prepared for the US National Committee on Theoretical and Applied Mechanics, aims to identify the most pressing challenges in biological sciences and medicine that can be tackled within the broad field of mechanics. This echoes and complements a number of national and international initiatives aiming at fostering interdisciplinary biomedical research. This report also comments on cultural/educational challenges. Specifically, this report focuses on three major thrusts in which we believe mechanics has and will continue to have a substantial impact. (i) Rationally engineering injectable nano/microdevices for imaging and therapy of disease. Within this context, we discuss nanoparticle carrier design, vascular transport and adhesion, endocytosis and tumour growth in response to therapy, as well as uncertainty quantification techniques to better connect models and experiments. (ii) Design of biomedical devices, including point-of-care diagnostic systems, model organ and multi-organ microdevices, and pulsatile ventricular assistant devices. (iii) Mechanics of cellular processes, including mechanosensing and mechanotransduction, improved characterization of cellular constitutive behaviour, and microfluidic systems for single-cell studies.

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“…Density functional-based tight binding (DFTB), and molecular dynamics (MD) simulations, among other techniques, have been utilized to study charge distributions on the NDs surface and their role in coordinating the interaction of polymeric and therapeutic compounds. [27][28][29] Chemical groups at the NDs surface include amine, amide, alcohol, carbonyl, and carboxylic acid groups, with carboxylic acid groups being the most prevalent. 29,30 NDs exhibit excellent biocompatibility in multiple cell lines and in vivo, [31][32][33] and effectively deliver drugs relative to the spectrum of carbon-based nanomaterials.…”

Section: Introductionmentioning

confidence: 99%

“…[27][28][29] Chemical groups at the NDs surface include amine, amide, alcohol, carbonyl, and carboxylic acid groups, with carboxylic acid groups being the most prevalent. 29,30 NDs exhibit excellent biocompatibility in multiple cell lines and in vivo, [31][32][33] and effectively deliver drugs relative to the spectrum of carbon-based nanomaterials. 34 ND-Dox complexes have been characterized for the treatment of multiple drug resistant tumors.…”

Section: Introductionmentioning

confidence: 99%