Predicting the Miscibility and Rigidity of Poly(lactic-<i>co</i>-glycolic acid)/Polyethylene Glycol Blends via Molecular Dynamics Simulations

Pannuzzo, Martina; Horta, Bruno A. C.; Raudino, Antonio; Decuzzi, Paolo

doi:10.1021/acs.macromol.0c00110

Cited by 27 publications

(29 citation statements)

References 63 publications

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“…Particles were formulated via nanoprecipitation method, using manual dropwise addition in bulk mixing and a microfluidic setup facilitating hydrodynamic flow focusing (Fig 1a and 1b, respectively). The polymer was dissolved in acetonitrile (ACN), an organic solvent miscible with water, which was the antisolvent for PLGA-PEG [67]. The diffusion of ACN into water reduces solubility of the polymer and, as a response to this change of environment, the amphiphilic blocks rapidly self-assemble into NPs.…”

Section: Experimental Setup Of Microfluidic Hydrodynamic Flow Focusing and Manual Bulk Formulationmentioning

confidence: 99%

Formulation of tunable size PLGA-PEG nanoparticles for drug delivery using microfluidic technology

et al. 2021

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Amphiphilic block co-polymer nanoparticles are interesting candidates for drug delivery as a result of their unique properties such as the size, modularity, biocompatibility and drug loading capacity. They can be rapidly formulated in a nanoprecipitation process based on self-assembly, resulting in kinetically locked nanostructures. The control over this step allows us to obtain nanoparticles with tailor-made properties without modification of the co-polymer building blocks. Furthermore, a reproducible and controlled formulation supports better predictability of a batch effectiveness in preclinical tests. Herein, we compared the formulation of PLGA-PEG nanoparticles using the typical manual bulk mixing and a microfluidic chip-assisted nanoprecipitation. The particle size tunability and controllability in a hydrodynamic flow focusing device was demonstrated to be greater than in the manual dropwise addition method. We also analyzed particle size and encapsulation of fluorescent compounds, using the common bulk analysis and advanced microscopy techniques: Transmission Electron Microscopy and Total Internal Reflection Microscopy, to reveal the heterogeneities occurred in the formulated nanoparticles. Finally, we performed in vitro evaluation of obtained NPs using MCF-7 cell line. Our results show how the microfluidic formulation improves the fine control over the resulting nanoparticles, without compromising any appealing property of PLGA nanoparticle. The combination of microfluidic formulation with advanced analysis methods, looking at the single particle level, can improve the understanding of the NP properties, heterogeneities and performance.

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Section: Experimental Setup Of Microfluidic Hydrodynamic Flow Focusing and Manual Bulk Formulationmentioning

confidence: 99%

Formulation of tunable size PLGA-PEG nanoparticles for drug delivery using microfluidic technology

et al. 2021

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“…The MN design uses a strategy of heterogeneous integration based on two mechanically distinct biopolymers, PLGA and PVA, where the former with a higher elastic modulus (2.0 GPa [ 40 ] ) serves as the needles and the latter with a lower elastic modulus (707.9 MPa [ 41 ] ) serves as the base. Figure 2E provides the measured absorption spectra of a PVA film and a PLGA film, respectively, highlighting the high transparency at the targeted wavelength regime (400–1200 nm).…”

Section: Resultsmentioning

confidence: 99%

Skin‐Interfaced Deep‐Tissue Sensing Patch via Microneedle Waveguides

Liu

Menon

Putcha

et al. 2022

Adv Materials Technologies

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keystone to creating temporally resolved therapeutics that can further reduce patient pains, prevent fatal events, and improve the wellbeing of individual life. One significant example with unmet needs for such technology focuses on peripheral artery disease (PAD), a family of disorder that causes stenosis or thrombus in the arteries/aorta of the limbs, compromises the physiological functions of the human extremities, and lead to symptoms including atypical leg pain and claudication. [1] Affecting the life quality of over 6.5 million Americans (5.8%, according to the 2000 Census population), [2] PAD harms the patient not only through its direct symptoms, but also by increasing the likelihood of myocardial infarction, ischemic stroke, and other cardiovascular diseases, which could further evolve into a prevalent factor of mobility impairment, mental issues, and mortality, especially in the elder. [3] Early warning signs correlated with PAD, which tend to be valuable in informing timely actions of preventive therapeutics before complications escalate, are, however, often neglected, or underappreciated, especially in low-resources settings. [4][5][6][7][8] Furthermore, the most commonly used indicator of PAD, ankle-brachial index (the ratio of the blood pressure measured at the ankle to the upper arm) has several major limitations, including: 1) long Continuous, real-time monitoring of biomarkers associated with local regions of the body can enhance both temporal and dimensional accuracy of proactive treatment to acute syndromes for critical illnesses, especially peripheral artery diseases. Conventional health monitors often face grand challenges in leveraging deep-tissue sensing capability with a safe and compatible biointerface.Optical-based noninvasive monitors may lack the ability to detect oximetry under subcutaneous fatty tissue due to the light scattering and absorption; implantables offer targeted sensing at depth, but may induce infection and inflammation. This report puts forward a wireless, wearable deep-tissue sensing patch by incorporating biocompatible microneedle waveguides at the sensing interface, to bypass the light extinction in epidermic and dermic tissue and enable the tracking of oximetry at muscular tissue. The sensing patch provides multiple physiological measurements at the sensing area, including tissue oximetry, pulse oximetry, heart pulsation, and respiratory activities with a wireless platform for uninterrupted data advertising and processing to enable real-time diagnostic analysis. The mechanical and thermal characterizations of the sensing patch with the microneedle waveguides validate the durable and safe operation at the skin interface. In vivo study with animal models of hindlimb ischemia demonstrates the high sensitivity and timely response of the sensing patch as muscle tissue hypoxia emerges.

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“…Molecular dynamics (MD) simulations using physics-based models have been proven highly efficient in predicting a range of polymer properties [29][30][31][32]. MD simulations were used in studying the miscibility of PHA and polylactide (PLA) polymers [33] and have also been employed in studying the mechanical properties of linear polymers [34], branched polymers [35], crosslinking polymers [36], and even the properties of the graphene-polymer interface [37,38].…”

Section: Introductionmentioning

confidence: 99%

Predicting the Mechanical Response of Polyhydroxyalkanoate Biopolymers Using Molecular Dynamics Simulations

et al. 2022

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Polyhydroxyalkanoates (PHAs) have emerged as a promising class of biosynthesizable, biocompatible, and biodegradable polymers to replace petroleum-based plastics for addressing the global plastic pollution problem. Although PHAs offer a wide range of chemical diversity, the structure–property relationships in this class of polymers remain poorly established. In particular, the available experimental data on the mechanical properties is scarce. In this contribution, we have used molecular dynamics simulations employing a recently developed forcefield to predict chemical trends in mechanical properties of PHAs. Specifically, we make predictions for Young’s modulus, and yield stress for a wide range of PHAs that exhibit varying lengths of backbone and side chains as well as different side chain functional groups. Deformation simulations were performed at six different strain rates and six different temperatures to elucidate their influence on the mechanical properties. Our results indicate that Young’s modulus and yield stress decrease systematically with increase in the number of carbon atoms in the side chain as well as in the polymer backbone. In addition, we find that the mechanical properties were strongly correlated with the chemical nature of the functional group. The functional groups that enhance the interchain interactions lead to an enhancement in both the Young’s modulus and yield stress. Finally, we applied the developed methodology to study composition-dependence of the mechanical properties for a selected set of binary and ternary copolymers. Overall, our work not only provides insights into rational design rules for tailoring mechanical properties in PHAs, but also opens up avenues for future high throughput atomistic simulation studies geared towards identifying functional PHA polymer candidates for targeted applications.

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Predicting the Miscibility and Rigidity of Poly(lactic-co-glycolic acid)/Polyethylene Glycol Blends via Molecular Dynamics Simulations

Cited by 27 publications

References 63 publications

Formulation of tunable size PLGA-PEG nanoparticles for drug delivery using microfluidic technology

Formulation of tunable size PLGA-PEG nanoparticles for drug delivery using microfluidic technology

Skin‐Interfaced Deep‐Tissue Sensing Patch via Microneedle Waveguides

Predicting the Mechanical Response of Polyhydroxyalkanoate Biopolymers Using Molecular Dynamics Simulations

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