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Items: 50

1.

In an ionic liquid, high local friction is determined by the proximity to the charge network.

Araque JC, Margulis CJ.

J Chem Phys. 2018 Oct 14;149(14):144503. doi: 10.1063/1.5045675.

PMID:
30316258
2.

Dynamics of an excess hole in the 1-methyl-1-butyl-pyrrolidinium dicyanamide ionic-liquid.

Wu F, Xu C, Margulis CJ.

J Chem Phys. 2018 May 21;148(19):193831. doi: 10.1063/1.5009940.

PMID:
30307188
3.

Excess Electron and Hole in 1-Benzylpyridinium-Based Ionic Liquids.

Dhungana KB, Wu F, Margulis CJ.

J Phys Chem B. 2017 Sep 21;121(37):8809-8816. doi: 10.1021/acs.jpcb.7b07499. Epub 2017 Sep 11.

PMID:
28846846
4.

Communication: Stiff and soft nano-environments and the "Octopus Effect" are the crux of ionic liquid structural and dynamical heterogeneity.

Daly RP, Araque JC, Margulis CJ.

J Chem Phys. 2017 Aug 14;147(6):061102. doi: 10.1063/1.4990666.

PMID:
28810794
5.

Comparison of the Structural Response to Pressure of Ionic Liquids with Ether and Alkyl Functionalities.

Dhungana KB, Margulis CJ.

J Phys Chem B. 2017 Jul 20;121(28):6890-6897. doi: 10.1021/acs.jpcb.7b04038. Epub 2017 Jul 5.

PMID:
28636397
6.

Ionic Liquids with Symmetric Diether Tails: Bulk and Vacuum-Liquid Interfacial Structures.

Hettige JJ, Amith WD, Castner EW Jr, Margulis CJ.

J Phys Chem B. 2017 Jan 12;121(1):174-179. doi: 10.1021/acs.jpcb.6b09148. Epub 2016 Dec 22.

PMID:
28005353
7.

Structures of Ionic Liquids Having Both Anionic and Cationic Octyl Tails: Lamellar Vacuum Interface vs Sponge-Like Bulk Order.

Amith WD, Hettige JJ, Castner EW Jr, Margulis CJ.

J Phys Chem Lett. 2016 Oct 6;7(19):3785-3790. Epub 2016 Sep 14.

PMID:
27607189
8.

Structure of cyano-anion ionic liquids: X-ray scattering and simulations.

Dhungana KB, Faria LF, Wu B, Liang M, Ribeiro MC, Margulis CJ, Castner EW Jr.

J Chem Phys. 2016 Jul 14;145(2):024503. doi: 10.1063/1.4955186.

PMID:
27421416
9.

A link between structure, diffusion and rotations of hydrogen bonding tracers in ionic liquids.

Araque JC, Daly RP, Margulis CJ.

J Chem Phys. 2016 May 28;144(20):204504. doi: 10.1063/1.4951012.

PMID:
27250313
10.

Communication: Nanoscale structure of tetradecyltrihexylphosphonium based ionic liquids.

Hettige JJ, Araque JC, Kashyap HK, Margulis CJ.

J Chem Phys. 2016 Mar 28;144(12):121102. doi: 10.1063/1.4944678.

PMID:
27036419
11.

A Rigid Hinge Region Is Necessary for High-Affinity Binding of Dimannose to Cyanovirin and Associated Constructs.

Li Z, Bolia A, Maxwell JD, Bobkov AA, Ghirlanda G, Ozkan SB, Margulis CJ.

Biochemistry. 2015 Nov 24;54(46):6951-60. doi: 10.1021/acs.biochem.5b00635. Epub 2015 Nov 12.

PMID:
26507789
12.

Ionic liquids-Conventional solvent mixtures, structurally different but dynamically similar.

Araque JC, Hettige JJ, Margulis CJ.

J Chem Phys. 2015 Oct 7;143(13):134505. doi: 10.1063/1.4932331.

PMID:
26450321
13.

Modern Room Temperature Ionic Liquids, a Simple Guide to Understanding Their Structure and How It May Relate to Dynamics.

Araque JC, Hettige JJ, Margulis CJ.

J Phys Chem B. 2015 Oct 8;119(40):12727-40. doi: 10.1021/acs.jpcb.5b05506. Epub 2015 Aug 10.

PMID:
26244375
14.

How Is Diffusion of Neutral and Charged Tracers Related to the Structure and Dynamics of a Room-Temperature Ionic Liquid? Large Deviations from Stokes-Einstein Behavior Explained.

Araque JC, Yadav SK, Shadeck M, Maroncelli M, Margulis CJ.

J Phys Chem B. 2015 Jun 11;119(23):7015-29. doi: 10.1021/acs.jpcb.5b01093. Epub 2015 Apr 16.

PMID:
25811753
15.

Solvation of an excess electron in pyrrolidinium dicyanamide based ionic liquids.

Xu C, Margulis CJ.

J Phys Chem B. 2015 Jan 15;119(2):532-42. doi: 10.1021/jp5108922. Epub 2015 Jan 7.

PMID:
25523330
16.

Bicontinuity and multiple length scale ordering in triphilic hydrogen-bonding ionic liquids.

Hettige JJ, Araque JC, Margulis CJ.

J Phys Chem B. 2014 Nov 6;118(44):12706-16. doi: 10.1021/jp5068457. Epub 2014 Sep 10.

PMID:
25157443
17.

Communication: Anomalous temperature dependence of the intermediate range order in phosphonium ionic liquids.

Hettige JJ, Kashyap HK, Margulis CJ.

J Chem Phys. 2014 Mar 21;140(11):111102. doi: 10.1063/1.4867900.

PMID:
24655164
18.

The role of Glu41 in the binding of dimannose to P51G-m4-CVN.

Ramadugu SK, Li Z, Kashyap HK, Margulis CJ.

Biochemistry. 2014 Mar 11;53(9):1477-84. doi: 10.1021/bi4014159. Epub 2014 Feb 24.

PMID:
24524298
19.

Dynamics of excess electronic charge in aliphatic ionic liquids containing the bis(trifluoromethylsulfonyl)amide anion.

Xu C, Durumeric A, Kashyap HK, Kohanoff J, Margulis CJ.

J Am Chem Soc. 2013 Nov 20;135(46):17528-36. doi: 10.1021/ja409338z. Epub 2013 Nov 12.

PMID:
24156701
20.

Structure of 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide ionic liquids with linear, branched, and cyclic alkyl groups.

Kashyap HK, Santos CS, Murthy NS, Hettige JJ, Kerr K, Ramati S, Gwon J, Gohdo M, Lall-Ramnarine SI, Wishart JF, Margulis CJ, Castner EW Jr.

J Phys Chem B. 2013 Dec 12;117(49):15328-37. doi: 10.1021/jp403518j. Epub 2013 Jul 3.

PMID:
23750608
21.

Anions, the Reporters of Structure in Ionic Liquids.

Hettige JJ, Kashyap HK, Annapureddy HV, Margulis CJ.

J Phys Chem Lett. 2013 Jan 3;4(1):105-10. doi: 10.1021/jz301866f. Epub 2012 Dec 18.

PMID:
26291220
22.

How does the ionic liquid organizational landscape change when nonpolar cationic alkyl groups are replaced by polar isoelectronic diethers?

Kashyap HK, Santos CS, Daly RP, Hettige JJ, Murthy NS, Shirota H, Castner EW Jr, Margulis CJ.

J Phys Chem B. 2013 Jan 31;117(4):1130-5. doi: 10.1021/jp311032p. Epub 2013 Jan 22.

PMID:
23259707
23.

SAXS anti-peaks reveal the length-scales of dual positive-negative and polar-apolar ordering in room-temperature ionic liquids.

Kashyap HK, Hettige JJ, Annapureddy HV, Margulis CJ.

Chem Commun (Camb). 2012 May 25;48(42):5103-5. doi: 10.1039/c2cc30609c. Epub 2012 Apr 20.

PMID:
22523744
24.

Temperature-dependent structure of ionic liquids: X-ray scattering and simulations.

Kashyap HK, Santos CS, Annapureddy HV, Murthy NS, Margulis CJ, Castner EW Jr.

Faraday Discuss. 2012;154:133-43; discussion 189-220, 465-71.

PMID:
22455018
25.

Dry excess electrons in room-temperature ionic liquids.

Margulis CJ, Annapureddy HV, De Biase PM, Coker D, Kohanoff J, Del Pópolo MG.

J Am Chem Soc. 2011 Dec 21;133(50):20186-93. doi: 10.1021/ja203412v. Epub 2011 Nov 22.

PMID:
22032301
26.

How is charge transport different in ionic liquids and electrolyte solutions?

Kashyap HK, Annapureddy HV, Raineri FO, Margulis CJ.

J Phys Chem B. 2011 Nov 17;115(45):13212-21. doi: 10.1021/jp204182c. Epub 2011 Oct 24.

PMID:
22022889
27.

Searching and optimizing structure ensembles for complex flexible sugars.

Xia J, Margulis CJ, Case DA.

J Am Chem Soc. 2011 Oct 5;133(39):15252-5. doi: 10.1021/ja205251j. Epub 2011 Sep 8.

28.

Temperature-dependent structure of methyltributylammonium bis(trifluoromethylsulfonyl)amide: X ray scattering and simulations.

Santos CS, Annapureddy HV, Murthy NS, Kashyap HK, Castner EW Jr, Margulis CJ.

J Chem Phys. 2011 Feb 14;134(6):064501. doi: 10.1063/1.3526958.

PMID:
21322699
29.

Ionic liquids: structure and photochemical reactions.

Castner EW Jr, Margulis CJ, Maroncelli M, Wishart JF.

Annu Rev Phys Chem. 2011;62:85-105. doi: 10.1146/annurev-physchem-032210-103421.

PMID:
21091193
30.

What is the origin of the prepeak in the X-ray scattering of imidazolium-based room-temperature ionic liquids?

Annapureddy HV, Kashyap HK, De Biase PM, Margulis CJ.

J Phys Chem B. 2010 Dec 23;114(50):16838-46. doi: 10.1021/jp108545z. Epub 2010 Nov 15. Erratum in: J Phys Chem B. 2011 Aug 4;115(30):9507-8.

PMID:
21077649
31.

In silico prediction of the 3D structure of trimeric asialoglycoprotein receptor bound to triantennary oligosaccharide.

Ramadugu SK, Chung YH, Fuentes EJ, Rice KG, Margulis CJ.

J Am Chem Soc. 2010 Jul 7;132(26):9087-95. doi: 10.1021/ja1021766.

PMID:
20540518
32.
33.

Controlling the outcome of electron transfer reactions in ionic liquids.

Annapureddy HV, Margulis CJ.

J Phys Chem B. 2009 Sep 3;113(35):12005-12. doi: 10.1021/jp905144n.

PMID:
19663446
34.

When sugars get wet. A comprehensive study of the behavior of water on the surface of oligosaccharides.

Ramadugu SK, Chung YH, Xia J, Margulis CJ.

J Phys Chem B. 2009 Aug 6;113(31):11003-15. doi: 10.1021/jp904981v.

PMID:
19588947
35.

Rationalization of the difference in lifetime of two covalent sialosyl-enzyme intermediates of Trypanosoma rangeli sialidase.

Parker LL, Chung YH, Margulis CJ, Jensen JH.

J Phys Chem B. 2008 Nov 13;112(45):14093-5. doi: 10.1021/jp804314x. Epub 2008 Oct 17.

PMID:
18925775
36.

Molecular dynamics study of the temperature-dependent Optical Kerr effect spectra and intermolecular dynamics of room temperature ionic liquid 1-methoxyethylpyridinium dicyanoamide.

Hu Z, Huang X, Annapureddy HV, Margulis CJ.

J Phys Chem B. 2008 Jul 3;112(26):7837-49. doi: 10.1021/jp800729g. Epub 2008 Jun 7.

PMID:
18537285
37.

How does water affect the dynamics of the room-temperature ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate and the fluorescence spectroscopy of Coumarin-153 when dissolved in it?

Annapureddy HV, Hu Z, Xia J, Margulis CJ.

J Phys Chem B. 2008 Feb 14;112(6):1770-6. doi: 10.1021/jp077623k. Epub 2008 Jan 17.

PMID:
18198862
38.

Diffusion and residence time of hydrogen peroxide and water in crowded protein environments.

Chung YH, Xia J, Margulis CJ.

J Phys Chem B. 2007 Nov 22;111(46):13336-44. Epub 2007 Nov 1.

PMID:
17973519
39.

Room-temperature ionic liquids: slow dynamics, viscosity, and the red edge effect.

Hu Z, Margulis CJ.

Acc Chem Res. 2007 Nov;40(11):1097-105. Epub 2007 Jul 28. Review.

PMID:
17661437
40.

Sugar Folding:  A Novel Structural Prediction Tool for Oligosaccharides and Polysaccharides 2.

Xia J, Daly RP, Chuang FC, Parker L, Jensen JH, Margulis CJ.

J Chem Theory Comput. 2007 Jul;3(4):1629-43. doi: 10.1021/ct700034q.

PMID:
26633232
41.

Sugar Folding:  A Novel Structural Prediction Tool for Oligosaccharides and Polysaccharides 1.

Xia J, Daly RP, Chuang FC, Parker L, Jensen JH, Margulis CJ.

J Chem Theory Comput. 2007 Jul;3(4):1620-8. doi: 10.1021/ct700033y.

PMID:
26633231
42.
44.
45.

Heterogeneity in a room-temperature ionic liquid: persistent local environments and the red-edge effect.

Hu Z, Margulis CJ.

Proc Natl Acad Sci U S A. 2006 Jan 24;103(4):831-6. Epub 2006 Jan 17. Erratum in: Proc Natl Acad Sci U S A. 2007 May 29;104(22):9546.

46.
47.
48.

Hydrophobic collapse in multidomain protein folding.

Zhou R, Huang X, Margulis CJ, Berne BJ.

Science. 2004 Sep 10;305(5690):1605-9.

49.
50.

Dewetting-induced collapse of hydrophobic particles.

Huang X, Margulis CJ, Berne BJ.

Proc Natl Acad Sci U S A. 2003 Oct 14;100(21):11953-8. Epub 2003 Sep 24. Erratum in: Proc Natl Acad Sci U S A. 2006 Dec 19;103(51):19605.

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