Luminescent tunable polydots: Charge effects in confined geometry

Wijesinghe, Sidath; Maskey, Sabina; Perahia, Dvora; Grest, Gary S.

doi:10.1063/1.4990506

Title: Luminescent tunable polydots: Charge effects in confined geometry

Journal Article · Wed Jun 28 00:00:00 EDT 2017 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4990506· OSTI ID:1372360

Wijesinghe, Sidath ^[1]; Maskey, Sabina ^[1];

^[1];

^[2]

Clemson Univ., Clemson, SC (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Long-lived soft nanoparticles, formed by conjugated polymers, constitute a new class of far-from-equilibrium responsive structures for nano-medicine. Tethering ionizable groups to the polymers enables functionality. However concurrently, the ionic groups perturb the delicate balance of interactions that governs these particles. Using fully atomistic molecular dynamics simulations, this study probed the effects of charged groups tethered to poly para phenylene ethynylene substituted by alkyl groups on the polymer conformation and dynamics in confined geometry. As a result, we find that the ionizable groups affect the entire shape of the polydots and impact the conformation and dynamics of the polymer.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000; NA0003525

OSTI ID:: 1372360

Alternate ID(s):: OSTI ID: 1369325

Report Number(s):: SAND-2017-4587J; JCPSA6; 652929

Journal Information:: Journal of Chemical Physics, Vol. 146, Issue 24; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 1 work

Citation information provided by
Web of Science

References (29)

Conformational study of a single molecule of poly para phenylene ethynylenes in dilute solutions Maskey, Sabina; Pierce, Flint; Perahia, Dvora The Journal of Chemical Physics, Vol. 134, Issue 24 https://doi.org/10.1063/1.3604820	journal	June 2011
Getting excited: challenges in quantum-classical studies of excitons in polymeric systems Bagheri, Behnaz; Baumeier, Björn; Karttunen, Mikko Physical Chemistry Chemical Physics, Vol. 18, Issue 44 https://doi.org/10.1039/c6cp02944b	journal	January 2016
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids Jorgensen, William L.; Maxwell, David S.; Tirado-Rives, Julian Journal of the American Chemical Society, Vol. 118, Issue 45 https://doi.org/10.1021/ja9621760	journal	January 1996
Light-Harvesting and Amplified Energy Transfer in Conjugated Polymer Nanoparticles Jiang, Yifei; McNeill, Jason Chemical Reviews, Vol. 117, Issue 2 https://doi.org/10.1021/acs.chemrev.6b00419	journal	March 2016
Shape-Adaptable Polymeric Particles for Controlled Delivery Kozlovskaya, Veronika; Xue, Bing; Kharlampieva, Eugenia Macromolecules, Vol. 49, Issue 22 https://doi.org/10.1021/acs.macromol.6b01740	journal	November 2016
Conjugated Polymer Nanoparticles for Drug Delivery and Imaging Feng, Xuli; Lv, Fengting; Liu, Libing ACS Applied Materials & Interfaces, Vol. 2, Issue 8 https://doi.org/10.1021/am100435k	journal	July 2010
Non-symmetrical dielectric relaxation behaviour arising from a simple empirical decay function Williams, Graham; Watts, David C. Transactions of the Faraday Society, Vol. 66 https://doi.org/10.1039/tf9706600080	journal	January 1970
Control of conformational and interpolymer effects in conjugated polymers Kim, J.; Swager, T. M. Nature, Vol. 411, Issue 6841 https://doi.org/10.1038/35082528	journal	June 2001
Dynamics of Polydots: Soft Luminescent Polymeric Nanoparticles Maskey, Sabina; Osti, Naresh C.; Grest, Gary S. Macromolecules, Vol. 49, Issue 6 https://doi.org/10.1021/acs.macromol.5b02776	journal	March 2016
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Conjugated Polymer Dots for Multiphoton Fluorescence Imaging Wu, Changfeng; Szymanski, Craig; Cain, Zachary Journal of the American Chemical Society, Vol. 129, Issue 43 https://doi.org/10.1021/ja074590d	journal	October 2007
From single molecules to aggregates to gels in dilute solution: Self-organization of nanoscale rodlike molecules Perahia, Dvora; Traiphol, Rakchart; Bunz, Uwe H. F. The Journal of Chemical Physics, Vol. 117, Issue 4 https://doi.org/10.1063/1.1486215	journal	July 2002
Polymer Conjugate-Based Nanomaterials for Drug Delivery Tran, Phuong Ha-Lien; Tran, Thao Truong-Dinh; Vo, Toi Van Journal of Nanoscience and Nanotechnology, Vol. 14, Issue 1 https://doi.org/10.1166/jnn.2014.8901	journal	January 2014
Conformation of ionizable poly Para phenylene ethynylene in dilute solutions Wijesinghe, Sidath; Maskey, Sabina; Perahia, Dvora Journal of Polymer Science Part B: Polymer Physics, Vol. 54, Issue 5 https://doi.org/10.1002/polb.23949	journal	November 2015
From Molecules to Supramolecular Structure: Self Assembling of Wirelike Poly( p -phenyleneethynylene)s Perahia, Dvora; Traiphol, Rakchart; Bunz, Uwe H. F. Macromolecules, Vol. 34, Issue 2 https://doi.org/10.1021/ma0015469	journal	January 2001
Conjugated polymer nanoparticles Tuncel, Dönüs; Demir, Hilmi Volkan Nanoscale, Vol. 2, Issue 4 https://doi.org/10.1039/b9nr00374f	journal	January 2010
A general purpose model for the condensed phases of water: TIP4P/2005 Abascal, J. L. F.; Vega, C. The Journal of Chemical Physics, Vol. 123, Issue 23 https://doi.org/10.1063/1.2121687	journal	December 2005
Biophysical Interactions with Model Lipid Membranes: Applications in Drug Discovery and Drug Delivery Peetla, Chiranjeevi; Stine, Andrew; Labhasetwar, Vinod Molecular Pharmaceutics, Vol. 6, Issue 5 https://doi.org/10.1021/mp9000662	journal	May 2009
Water dynamics in rigid ionomer networks Osti, N. C.; Etampawala, T. N.; Shrestha, U. M. The Journal of Chemical Physics, Vol. 145, Issue 22 https://doi.org/10.1063/1.4971209	journal	December 2016
Synthesis and Application of Poly(phenylene Ethynylene)s for Bioconjugation: A Conjugated Polymer-Based Fluorogenic Probe for Proteases Wosnick, Jordan H.; Mello, Charlene M.; Swager, Timothy M. Journal of the American Chemical Society, Vol. 127, Issue 10 https://doi.org/10.1021/ja043134b	journal	March 2005
Amplified energy transfer in conjugated polymer nanoparticle tags and sensors Tian, Zhiyuan; Yu, Jiangbo; Wu, Changfeng Nanoscale, Vol. 2, Issue 10 https://doi.org/10.1039/c0nr00322k	journal	January 2010
Biodegradable nanoparticles for drug delivery and targeting Hans, M. L.; Lowman, A. M. Current Opinion in Solid State and Materials Science, Vol. 6, Issue 4 https://doi.org/10.1016/s1359-0286(02)00117-1	journal	August 2002
Chemotherapy with anticancer drugs encapsulated in solid lipid nanoparticles☆ Wong, H.; Bendayan, R.; Rauth, A. Advanced Drug Delivery Reviews, Vol. 59, Issue 6 https://doi.org/10.1016/j.addr.2007.04.008	journal	July 2007
Optimized intermolecular potential functions for liquid hydrocarbons Jorgensen, William L.; Madura, Jeffry D.; Swenson, Carol J. Journal of the American Chemical Society, Vol. 106, Issue 22 https://doi.org/10.1021/ja00334a030	journal	October 1984
Poly(aryleneethynylene)s Bunz, Uwe H. F. Macromolecular Rapid Communications, Vol. 30, Issue 9-10 https://doi.org/10.1002/marc.200800775	journal	May 2009
Internal Correlations and Stability of Polydots, Soft Conjugated Polymeric Nanoparticles Maskey, Sabina; Osti, Naresh C.; Perahia, Dvora ACS Macro Letters, Vol. 2, Issue 8 https://doi.org/10.1021/mz400225d	journal	July 2013
Fluorescent Multiblock π-Conjugated Polymer Nanoparticles for In Vivo Tumor Targeting Ahmed, Eilaf; Morton, Stephen W.; Hammond, Paula T. Advanced Materials, Vol. 25, Issue 32 https://doi.org/10.1002/adma.201301656	journal	June 2013
Structure of Rigid Polymers Confined to Nanoparticles: Molecular Dynamics Simulations Insight Maskey, Sabina; Lane, J. Matthew D.; Perahia, Dvora Langmuir, Vol. 32, Issue 8 https://doi.org/10.1021/acs.langmuir.5b04568	journal	February 2016
Multiple Energy Transfer Dynamics in Blended Conjugated Polymer Nanoparticles Wang, Xiaoli; Groff, Louis C.; McNeill, Jason D. The Journal of Physical Chemistry C, Vol. 118, Issue 44 https://doi.org/10.1021/jp508147r	journal	October 2014

Cited By (1)

Temperature response of soft ionizable polymer nanoparticles Wijesinghe, Sidath; Perahia, Dvora; Grest, Gary S. The Journal of Chemical Physics, Vol. 149, Issue 8 https://doi.org/10.1063/1.5043226	journal	August 2018

Similar Records

Polydots, soft nanoparticles, at membrane interfaces

Journal Article · Thu Jun 22 00:00:00 EDT 2023 · RSC Advances · OSTI ID:1372360

Wijesinghe, Sidath; Junghans, Christoph; Perahia, Dvora; +1 more

Dynamics of polydots: Soft luminescent polymeric nanoparticles

Journal Article · Fri Mar 04 00:00:00 EST 2016 · Macromolecules · OSTI ID:1372360

Maskey, Sabina; Osti, Naresh C.; Grest, Gary S.; +1 more

Temperature response of soft ionizable polymer nanoparticles

Journal Article · Mon Aug 27 00:00:00 EDT 2018 · Journal of Chemical Physics · OSTI ID:1372360

Wijesinghe, Sidath; Perahia, Dvora; Grest, Gary S.

Related Subjects

36 MATERIALS SCIENCE

Title: Luminescent tunable polydots: Charge effects in confined geometry

Citation Formats

References (29)

Cited By (1)

Similar Records

Related Subjects