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Items: 1 to 50 of 467

1.

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 Feb 14. doi: 10.1021/acsami.8b18078. [Epub ahead of print]

PMID:
30763069
2.

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
3.

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 Feb 8. doi: 10.1021/acsami.8b19094. [Epub ahead of print]

PMID:
30734555
4.

Pair and many-body interactions between ligated Au nanoparticles.

Liepold C, Smith A, Lin B, de Pablo J, Rice SA.

J Chem Phys. 2019 Jan 28;150(4):044904. doi: 10.1063/1.5064545.

PMID:
30709285
5.

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

Villada S, Palacio-Betancur V, Armas-Perez JC, de Pablo J, Hernandez-Ortiz JP.

J Phys Condens Matter. 2019 Jan 31. doi: 10.1088/1361-648X/ab0394. [Epub ahead of print]

PMID:
30703761
6.

Qresp, a tool for curating, discovering and exploring reproducible scientific papers.

Govoni M, Munakami M, Tanikanti A, Skone JH, Runesha HB, Giberti F, de Pablo J, Galli G.

Sci Data. 2019 Jan 29;6:190002. doi: 10.1038/sdata.2019.2.

7.

Anisotropic Vapor-Deposited Glasses: Hybrid Organic Solids.

Ediger MD, de Pablo J, Yu L.

Acc Chem Res. 2019 Jan 23. doi: 10.1021/acs.accounts.8b00513. [Epub ahead of print]

PMID:
30673208
8.

Panproteome-wide analysis of antibody responses to whole cell pneumococcal vaccination.

Campo JJ, Le TQ, Pablo JV, Hung C, Teng AA, Tettelin H, Tate A, Hanage WP, Alderson MR, Liang X, Malley R, Lipsitch M, Croucher NJ.

Elife. 2018 Dec 28;7. pii: e37015. doi: 10.7554/eLife.37015.

9.

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. 2018 Dec 24. doi: 10.1021/acs.jpclett.8b03582. [Epub ahead of print]

PMID:
30582803
10.

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
11.

Design, synthesis and characterization of novel N-heterocyclic-1-benzyl-1H-benzo[d]imidazole-2-amines as selective TRPC5 inhibitors leading to the identification of the selective compound, AC1903.

Sharma SH, Pablo JL, Montesinos MS, Greka A, Hopkins CR.

Bioorg Med Chem Lett. 2019 Jan 15;29(2):155-159. doi: 10.1016/j.bmcl.2018.12.007. Epub 2018 Dec 4.

PMID:
30538066
12.

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
13.

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 Nov 20. doi: 10.1021/acs.jctc.8b00742. [Epub ahead of print]

PMID:
30407817
14.

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
15.

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.

16.

Benzodiazepine Use and Long-Term Mortality in Real-Life Chronic Heart Failure Outpatients: A Cohort Analysis.

Diez-Quevedo C, Lupon J, de Antonio M, Domingo M, Martin-Subero M, Rangil T, Moliner P, Zamora E, Altimir S, Santesmases J, Troya MI, Boldo M, de Pablo J, Bayes-Genis A.

Psychother Psychosom. 2018;87(6):372-374. doi: 10.1159/000491879. Epub 2018 Oct 10. No abstract available.

PMID:
30304738
17.

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
18.

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
19.

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
20.

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
21.

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.

PMID:
30063357
22.

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
23.

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
24.

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
25.

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
26.

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.

PMID:
29892480
27.

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
28.

Retention of cesium and strontium by uranophane, Ca(UO2)2(SiO3OH)2·5H2O.

Espriu-Gascon A, Giménez J, Casas I, de Pablo J.

J Hazard Mater. 2018 Jul 5;353:431-435. doi: 10.1016/j.jhazmat.2018.04.051. Epub 2018 Apr 22.

PMID:
29702458
29.

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
30.

Children with cerebral malaria or severe malarial anaemia lack immunity to distinct variant surface antigen subsets.

Travassos MA, Niangaly A, Bailey JA, Ouattara A, Coulibaly D, Lyke KE, Laurens MB, Pablo J, Jasinskas A, Nakajima R, Berry AA, Adams M, Jacob CG, Pike A, Takala-Harrison S, Liang L, Kouriba B, Kone AK, Rowe JA, Moulds J, Diallo DA, Doumbo OK, Thera MA, Felgner PL, Plowe CV.

Sci Rep. 2018 Apr 19;8(1):6281. doi: 10.1038/s41598-018-24462-4.

31.

Publisher Correction: Unravelling the immune signature of Plasmodium falciparum transmission-reducing immunity.

Stone WJR, Campo JJ, Ouédraogo AL, Meerstein-Kessel L, Morlais I, Da D, Cohuet A, Nsango S, Sutherland CJ, van de Vegte-Bolmer M, Siebelink-Stoter R, van Gemert GJ, Graumans W, Lanke K, Shandling AD, Pablo JV, Teng AA, Jones S, de Jong RM, Fabra-García A, Bradley J, Roeffen W, Lasonder E, Gremo G, Schwarzer E, Janse CJ, Singh SK, Theisen M, Felgner P, Marti M, Drakeley C, Sauerwein R, Bousema T, Jore MM.

Nat Commun. 2018 Apr 11;9(1):1498. doi: 10.1038/s41467-018-03769-w.

32.

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
33.

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.

34.

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
35.

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
36.

Intra-molecular Charge Transfer and Electron Delocalization in Non-fullerene Organic Solar Cells.

Wu Q, Zhao D, Goldey MB, Filatov AS, Sharapov V, Colón YJ, Cai Z, Chen W, de Pablo J, Galli G, Yu L.

ACS Appl Mater Interfaces. 2018 Mar 28;10(12):10043-10052. doi: 10.1021/acsami.7b18717. Epub 2018 Mar 15.

PMID:
29498504
37.

[Adult Grisel Syndrome and Cervical Skull instability. Transnasal endoscopic odontoidectomy and occipito-cervical fusion. Case report and literature review].

Herrera R, Rojas H, Estramian A, Gómez J, Ledesma JL, Pablo J, Pastore J.

Surg Neurol Int. 2018 Jan 22;9(Suppl 1):S8-S15. doi: 10.4103/sni.sni_281_17. eCollection 2018. Spanish.

38.

Unravelling the immune signature of Plasmodium falciparum transmission-reducing immunity.

Stone WJR, Campo JJ, Ouédraogo AL, Meerstein-Kessel L, Morlais I, Da D, Cohuet A, Nsango S, Sutherland CJ, van de Vegte-Bolmer M, Siebelink-Stoter R, van Gemert GJ, Graumans W, Lanke K, Shandling AD, Pablo JV, Teng AA, Jones S, de Jong RM, Fabra-García A, Bradley J, Roeffen W, Lasonder E, Gremo G, Schwarzer E, Janse CJ, Singh SK, Theisen M, Felgner P, Marti M, Drakeley C, Sauerwein R, Bousema T, Jore MM.

Nat Commun. 2018 Feb 8;9(1):558. doi: 10.1038/s41467-017-02646-2. Erratum in: Nat Commun. 2018 Apr 11;9(1):1498.

39.

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
40.

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.

41.

Identification of a Novel, EBV-Based Antibody Risk Stratification Signature for Early Detection of Nasopharyngeal Carcinoma in Taiwan.

Coghill AE, Pfeiffer RM, Proietti C, Hsu WL, Chien YC, Lekieffre L, Krause L, Teng A, Pablo J, Yu KJ PhD, Lou PJ MD, Wang CP, Liu Z, Chen CJ, Middeldorp J, Mulvenna J, Bethony J, Hildesheim A, Doolan DL.

Clin Cancer Res. 2018 Mar 15;24(6):1305-1314. doi: 10.1158/1078-0432.CCR-17-1929. Epub 2018 Jan 4.

PMID:
29301829
42.

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.

43.

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.

44.

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.

45.

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.

46.

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.

47.

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
48.

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
49.

Directly Observing Micelle Fusion and Growth in Solution by Liquid-Cell Transmission Electron Microscopy.

Parent LR, Bakalis E, Ramírez-Hernández A, Kammeyer JK, Park C, de Pablo J, Zerbetto F, Patterson JP, Gianneschi NC.

J Am Chem Soc. 2017 Nov 29;139(47):17140-17151. doi: 10.1021/jacs.7b09060. Epub 2017 Nov 17.

PMID:
29145727
50.

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.

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