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Items: 1 to 50 of 283

1.

Role of Defects in Ion Transport in Block Copolymer Electrolytes.

Kambe Y, Arges CG, Czaplewski DA, Dolejsi M, Krishnan S, Stoykovich MP, de Pablo JJ, Nealey PF.

Nano Lett. 2019 Jul 10;19(7):4684-4691. doi: 10.1021/acs.nanolett.9b01758. Epub 2019 Jun 28.

PMID:
31250653
2.

1CPN: A coarse-grained multi-scale model of chromatin.

Lequieu J, Córdoba A, Moller J, de Pablo JJ.

J Chem Phys. 2019 Jun 7;150(21):215102. doi: 10.1063/1.5092976.

PMID:
31176328
3.

Structure and proton conduction in sulfonated poly(ether ether ketone) semi-permeable membranes: a multi-scale computational approach.

Molina J, de Pablo JJ, Hernández-Ortiz JP.

Phys Chem Chem Phys. 2019 May 8;21(18):9362-9375. doi: 10.1039/c9cp00598f.

PMID:
30994661
4.

Electronic structure at coarse-grained resolutions from supervised machine learning.

Jackson NE, Bowen AS, Antony LW, Webb MA, Vishwanath V, de Pablo JJ.

Sci Adv. 2019 Mar 22;5(3):eaav1190. doi: 10.1126/sciadv.aav1190. eCollection 2019 Mar.

5.

Free energy of metal-organic framework self-assembly.

Colón YJ, Guo AZ, Antony LW, Hoffmann KQ, de Pablo JJ.

J Chem Phys. 2019 Mar 14;150(10):104502. doi: 10.1063/1.5063588.

PMID:
30876355
6.

Influence of Homopolymer Addition in Templated Assembly of Cylindrical Block Copolymers.

Doise J, Bezik C, Hori M, de Pablo JJ, Gronheid R.

ACS Nano. 2019 Apr 23;13(4):4073-4082. doi: 10.1021/acsnano.8b08382. Epub 2019 Mar 21.

PMID:
30869863
7.

The Free Energy Landscape of Internucleosome Interactions and Its Relation to Chromatin Fiber Structure.

Moller J, Lequieu J, de Pablo JJ.

ACS Cent Sci. 2019 Feb 27;5(2):341-348. doi: 10.1021/acscentsci.8b00836. Epub 2019 Jan 24.

8.

Degenerate conic anchoring and colloidal elastic dipole-hexadecapole transformations.

Zhou Y, Senyuk B, Zhang R, Smalyukh II, de Pablo JJ.

Nat Commun. 2019 Mar 1;10(1):1000. doi: 10.1038/s41467-019-08645-9.

9.

Thermally reconfigurable Janus droplets with nematic liquid crystalline and isotropic perfluorocarbon oil compartments.

Wang X, Zhou Y, Kim YK, Tsuei M, Yang Y, de Pablo JJ, Abbott NL.

Soft Matter. 2019 Mar 20;15(12):2580-2590. doi: 10.1039/c8sm02600a.

PMID:
30816895
10.

Sculpting stable structures in pure liquids.

Emeršič T, Zhang R, Kos Ž, Čopar S, Osterman N, de Pablo JJ, Tkalec U.

Sci Adv. 2019 Feb 15;5(2):eaav4283. doi: 10.1126/sciadv.aav4283. eCollection 2019 Feb.

11.

Perfection in Nucleation and Growth of Blue-Phase Single Crystals: Small Free-Energy Required to Self-Assemble at Specific Lattice Orientation.

Li X, Martínez-González JA, Park K, Yu C, Zhou Y, de Pablo JJ, Nealey PF.

ACS Appl Mater Interfaces. 2019 Mar 6;11(9):9487-9495. doi: 10.1021/acsami.8b18078. Epub 2019 Feb 25.

PMID:
30763069
12.

Extracting collective motions underlying nucleosome dynamics via nonlinear manifold learning.

Guo AZ, Lequieu J, de Pablo JJ.

J Chem Phys. 2019 Feb 7;150(5):054902. doi: 10.1063/1.5063851.

PMID:
30736679
13.

A pH-Triggered, Self-Assembled, and Bioprintable Hybrid Hydrogel Scaffold for Mesenchymal Stem Cell Based Bone Tissue Engineering.

Zhao C, Qazvini NT, Sadati M, Zeng Z, Huang S, De La Lastra AL, Zhang L, Feng Y, Liu W, Huang B, Zhang B, Dai Z, Shen Y, Wang X, Luo W, Liu B, Lei Y, Ye Z, Zhao L, Cao D, Yang L, Chen X, Athiviraham A, Lee MJ, Wolf JM, Reid RR, Tirrell M, Huang W, de Pablo JJ, He TC.

ACS Appl Mater Interfaces. 2019 Mar 6;11(9):8749-8762. doi: 10.1021/acsami.8b19094. Epub 2019 Feb 25.

14.

Fluctuations and phase transitions of uniaxial and biaxial liquid crystals using a theoretically informed Monte Carlo and a Landau free energy density.

Villada-Gil S, Palacio-Betancur V, Armas-Pérez JC, de Pablo JJ, Hernández-Ortiz JP.

J Phys Condens Matter. 2019 May 1;31(17):175101. doi: 10.1088/1361-648X/ab0394. Epub 2019 Jan 31.

PMID:
30703761
15.

Origin of Anisotropic Molecular Packing in Vapor-Deposited Alq3 Glasses.

Bagchi K, Jackson NE, Gujral A, Huang C, Toney MF, Yu L, de Pablo JJ, Ediger MD.

J Phys Chem Lett. 2019 Jan 17;10(2):164-170. doi: 10.1021/acs.jpclett.8b03582. Epub 2018 Dec 31.

PMID:
30582803
16.

Graph-Based Approach to Systematic Molecular Coarse-Graining.

Webb MA, Delannoy JY, de Pablo JJ.

J Chem Theory Comput. 2019 Feb 12;15(2):1199-1208. doi: 10.1021/acs.jctc.8b00920. Epub 2018 Dec 31.

PMID:
30557028
17.

Tenfold increase in the photostability of an azobenzene guest in vapor-deposited glass mixtures.

Qiu Y, Antony LW, Torkelson JM, de Pablo JJ, Ediger MD.

J Chem Phys. 2018 Nov 28;149(20):204503. doi: 10.1063/1.5052003.

PMID:
30501262
18.

Structural Correlations and Percolation in Twisted Perylene Diimides Using a Simple Anisotropic Coarse-Grained Model.

Bowen AS, Jackson NE, Reid DR, de Pablo JJ.

J Chem Theory Comput. 2018 Dec 11;14(12):6495-6504. doi: 10.1021/acs.jctc.8b00742. Epub 2018 Nov 20.

PMID:
30407817
19.

Effect of temperature on the structure and dynamics of triblock polyelectrolyte gels.

Rahalkar A, Wei G, Nieuwendaal R, Prabhu VM, Srivastava S, Levi AE, de Pablo JJ, Tirrell MV.

J Chem Phys. 2018 Oct 28;149(16):163310. doi: 10.1063/1.5035083.

PMID:
30384695
20.

Tunable structure and dynamics of active liquid crystals.

Kumar N, Zhang R, de Pablo JJ, Gardel ML.

Sci Adv. 2018 Oct 12;4(10):eaat7779. doi: 10.1126/sciadv.aat7779. eCollection 2018 Oct.

21.

Amphiphile-Induced Phase Transition of Liquid Crystals at Aqueous Interfaces.

Ramezani-Dakhel H, Rahimi M, Pendery J, Kim YK, Thayumanavan S, Roux B, Abbott NL, de Pablo JJ.

ACS Appl Mater Interfaces. 2018 Oct 31;10(43):37618-37624. doi: 10.1021/acsami.8b09639. Epub 2018 Oct 22.

PMID:
30285408
22.

Defect Annihilation Pathways in Directed Assembly of Lamellar Block Copolymer Thin Films.

Hur SM, Thapar V, Ramírez-Hernández A, Nealey PF, de Pablo JJ.

ACS Nano. 2018 Oct 23;12(10):9974-9981. doi: 10.1021/acsnano.8b04202. Epub 2018 Oct 8.

PMID:
30226748
23.

Layered nested Markov chain Monte Carlo.

Jackson NE, Webb MA, de Pablo JJ.

J Chem Phys. 2018 Aug 21;149(7):072326. doi: 10.1063/1.5030531.

PMID:
30134725
24.

Oligomers as Triggers for Responsive Liquid Crystals.

Kim YK, Raghupathi KR, Pendery JS, Khomein P, Sridhar U, de Pablo JJ, Thayumanavan S, Abbott NL.

Langmuir. 2018 Aug 28;34(34):10092-10101. doi: 10.1021/acs.langmuir.8b01944. Epub 2018 Aug 20.

PMID:
30064213
25.

Aggregation and Solubility of a Model Conjugated Donor-Acceptor Polymer.

Reid DR, Jackson NE, Bourque AJ, Snyder CR, Jones RL, de Pablo JJ.

J Phys Chem Lett. 2018 Aug 16;9(16):4802-4807. doi: 10.1021/acs.jpclett.8b01738. Epub 2018 Aug 9.

26.

Early-stage human islet amyloid polypeptide aggregation: Mechanisms behind dimer formation.

Guo AZ, Fluitt AM, de Pablo JJ.

J Chem Phys. 2018 Jul 14;149(2):025101. doi: 10.1063/1.5033458.

PMID:
30007378
27.

Author Correction: Dynamic actuation of glassy polymersomes through isomerization of a single azobenzene unit at the block copolymer interface.

Molla MR, Rangadurai P, Antony L, Swaminathan S, de Pablo JJ, Thayumanavan S.

Nat Chem. 2018 Aug;10(8):895. doi: 10.1038/s41557-018-0090-z.

PMID:
29955169
28.

Multivalent counterions diminish the lubricity of polyelectrolyte brushes.

Yu J, Jackson NE, Xu X, Morgenstern Y, Kaufman Y, Ruths M, de Pablo JJ, Tirrell M.

Science. 2018 Jun 29;360(6396):1434-1438. doi: 10.1126/science.aar5877.

PMID:
29954973
29.

Evolutionary strategy for inverse charge measurements of dielectric particles.

Jiang X, Li J, Lee V, Jaeger HM, Heinonen OG, de Pablo JJ.

J Chem Phys. 2018 Jun 21;148(23):234302. doi: 10.1063/1.5027435.

PMID:
29935510
30.

Optimizing self-consistent field theory block copolymer models with X-ray metrology.

Hannon AF, Sunday DF, Bowen A, Khaira G, Ren J, Nealey PF, de Pablo JJ, Kline RJ.

Mol Syst Des Eng. 2018 Apr;3(2):376-389. doi: 10.1039/C7ME00098G.

31.

Dynamic actuation of glassy polymersomes through isomerization of a single azobenzene unit at the block copolymer interface.

Molla MR, Rangadurai P, Antony L, Swaminathan S, de Pablo JJ, Thayumanavan S.

Nat Chem. 2018 Jun;10(6):659-666. doi: 10.1038/s41557-018-0027-6. Epub 2018 Apr 30. Erratum in: Nat Chem. 2018 Aug;10(8):895.

PMID:
29713034
32.

Hierarchical Coupling of First-Principles Molecular Dynamics with Advanced Sampling Methods.

Sevgen E, Giberti F, Sidky H, Whitmer JK, Galli G, Gygi F, de Pablo JJ.

J Chem Theory Comput. 2018 Jun 12;14(6):2881-2888. doi: 10.1021/acs.jctc.8b00192. Epub 2018 May 14.

PMID:
29694787
33.

Adaptive enhanced sampling by force-biasing using neural networks.

Guo AZ, Sevgen E, Sidky H, Whitmer JK, Hubbell JA, de Pablo JJ.

J Chem Phys. 2018 Apr 7;148(13):134108. doi: 10.1063/1.5020733.

PMID:
29626875
34.

Light-activated helical inversion in cholesteric liquid crystal microdroplets.

Sleczkowski P, Zhou Y, Iamsaard S, de Pablo JJ, Katsonis N, Lacaze E.

Proc Natl Acad Sci U S A. 2018 Apr 24;115(17):4334-4339. doi: 10.1073/pnas.1720742115. Epub 2018 Apr 6.

35.

Influence of Ion Solvation on the Properties of Electrolyte Solutions.

Andreev M, de Pablo JJ, Chremos A, Douglas JF.

J Phys Chem B. 2018 Apr 12;122(14):4029-4034. doi: 10.1021/acs.jpcb.8b00518. Epub 2018 Apr 3.

PMID:
29611710
36.

In Silico Measurement of Elastic Moduli of Nematic Liquid Crystals.

Sidky H, de Pablo JJ, Whitmer JK.

Phys Rev Lett. 2018 Mar 9;120(10):107801. doi: 10.1103/PhysRevLett.120.107801.

PMID:
29570343
37.

SSAGES: Software Suite for Advanced General Ensemble Simulations.

Sidky H, Colón YJ, Helfferich J, Sikora BJ, Bezik C, Chu W, Giberti F, Guo AZ, Jiang X, Lequieu J, Li J, Moller J, Quevillon MJ, Rahimi M, Ramezani-Dakhel H, Rathee VS, Reid DR, Sevgen E, Thapar V, Webb MA, Whitmer JK, de Pablo JJ.

J Chem Phys. 2018 Jan 28;148(4):044104. doi: 10.1063/1.5008853.

PMID:
29390830
38.

Auxetic metamaterials from disordered networks.

Reid DR, Pashine N, Wozniak JM, Jaeger HM, Liu AJ, Nagel SR, de Pablo JJ.

Proc Natl Acad Sci U S A. 2018 Feb 13;115(7):E1384-E1390. doi: 10.1073/pnas.1717442115. Epub 2018 Jan 30.

39.

Water Flux Induced Reorientation of Liquid Crystals.

Ramezani-Dakhel H, Sadati M, Zhang R, Rahimi M, Kurtenbach K, Roux B, de Pablo JJ.

ACS Cent Sci. 2017 Dec 27;3(12):1345-1349. doi: 10.1021/acscentsci.7b00495. Epub 2017 Dec 15.

40.

Interplay of structure, elasticity, and dynamics in actin-based nematic materials.

Zhang R, Kumar N, Ross JL, Gardel ML, de Pablo JJ.

Proc Natl Acad Sci U S A. 2018 Jan 9;115(2):E124-E133. doi: 10.1073/pnas.1713832115. Epub 2017 Dec 28.

41.

Multivalent ions induce lateral structural inhomogeneities in polyelectrolyte brushes.

Yu J, Jackson NE, Xu X, Brettmann BK, Ruths M, de Pablo JJ, Tirrell M.

Sci Adv. 2017 Dec 8;3(12):eaao1497. doi: 10.1126/sciadv.aao1497. eCollection 2017 Dec.

42.

Electrostatic confinement and manipulation of DNA molecules for genome analysis.

Kounovsky-Shafer KL, Hernandez-Ortiz JP, Potamousis K, Tsvid G, Place M, Ravindran P, Jo K, Zhou S, Odijk T, de Pablo JJ, Schwartz DC.

Proc Natl Acad Sci U S A. 2017 Dec 19;114(51):13400-13405. doi: 10.1073/pnas.1711069114. Epub 2017 Dec 4.

43.

Polymer Informatics: Opportunities and Challenges.

Audus DJ, de Pablo JJ.

ACS Macro Lett. 2017 Oct;6(10):1078-1082. doi: 10.1021/acsmacrolett.7b00228. Epub 2017 Sep 15.

44.

Poly[n]catenanes: Synthesis of molecular interlocked chains.

Wu Q, Rauscher PM, Lang X, Wojtecki RJ, de Pablo JJ, Hore MJA, Rowan SJ.

Science. 2017 Dec 15;358(6369):1434-1439. doi: 10.1126/science.aap7675. Epub 2017 Nov 30.

PMID:
29192134
45.

Strain-induced alignment and phase behavior of blue phase liquid crystals confined to thin films.

Bukusoglu E, Martinez-Gonzalez JA, Wang X, Zhou Y, de Pablo JJ, Abbott NL.

Soft Matter. 2017 Dec 6;13(47):8999-9006. doi: 10.1039/c7sm01755c.

PMID:
29164213
46.

In silico evidence for sequence-dependent nucleosome sliding.

Lequieu J, Schwartz DC, de Pablo JJ.

Proc Natl Acad Sci U S A. 2017 Oct 31;114(44):E9197-E9205. doi: 10.1073/pnas.1705685114. Epub 2017 Oct 18.

47.

Spherical nematic shells with a prolate ellipsoidal core.

Sadati M, Zhou Y, Melchert D, Guo A, Martinez-Gonzalez JA, Roberts TF, Zhang R, de Pablo JJ.

Soft Matter. 2017 Oct 25;13(41):7465-7472. doi: 10.1039/c7sm01403a.

PMID:
29040343
48.

Sharp Morphological Transitions from Nanoscale Mixed-Anchoring Patterns in Confined Nematic Liquid Crystals.

Armas-Pérez JC, Li X, Martínez-González JA, Smith C, Hernández-Ortiz JP, Nealey PF, de Pablo JJ.

Langmuir. 2017 Oct 31;33(43):12516-12524. doi: 10.1021/acs.langmuir.7b02522. Epub 2017 Oct 13.

PMID:
28946745
49.

Mesoscale martensitic transformation in single crystals of topological defects.

Li X, Martínez-González JA, Hernández-Ortiz JP, Ramírez-Hernández A, Zhou Y, Sadati M, Zhang R, Nealey PF, de Pablo JJ.

Proc Natl Acad Sci U S A. 2017 Sep 19;114(38):10011-10016. doi: 10.1073/pnas.1711207114. Epub 2017 Sep 5.

50.

Patterned surface anchoring of nematic droplets at miscible liquid-liquid interfaces.

Wang X, Zhou Y, Kim YK, Miller DS, Zhang R, Martinez-Gonzalez JA, Bukusoglu E, Zhang B, Brown TM, de Pablo JJ, Abbott NL.

Soft Matter. 2017 Aug 30;13(34):5714-5723. doi: 10.1039/c7sm00975e.

PMID:
28752888

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