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Items: 1 to 50 of 129

1.

Nanoimaging and Control of Molecular Vibrations through Electromagnetically Induced Scattering Reaching the Strong Coupling Regime.

Muller EA, Pollard B, Bechtel HA, Adato R, Etezadi D, Altug H, Raschke MB.

ACS Photonics. 2018 Sep 19;5(9):3594-3600. doi: 10.1021/acsphotonics.8b00425. Epub 2018 Aug 6.

2.

Molecular Simulation of the Adsorption and Diffusion in Cylindrical Nanopores: Effect of Shape and Fluid⁻Solid Interactions.

Cárdenas H, Müller EA.

Molecules. 2019 Feb 9;24(3). pii: E608. doi: 10.3390/molecules24030608.

3.

Aggregation Behavior of Model Asphaltenes Revealed from Large-Scale Coarse-Grained Molecular Simulations.

Jiménez-Serratos G, Totton TS, Jackson G, Müller EA.

J Phys Chem B. 2019 Mar 14;123(10):2380-2396. doi: 10.1021/acs.jpcb.8b12295. Epub 2019 Mar 4.

PMID:
30735393
4.

Fluid-solid phase transition of n-alkane mixtures: Coarse-grained molecular dynamics simulations and diffusion-ordered spectroscopy nuclear magnetic resonance.

Shahruddin S, Jiménez-Serratos G, Britovsek GJP, Matar OK, Müller EA.

Sci Rep. 2019 Jan 30;9(1):1002. doi: 10.1038/s41598-018-37799-7.

5.

ALG11-CDG syndrome: Expanding the phenotype.

Haanpää MK, Ng BG, Gallant NM, Singh KE, Brown C, Kimonis V, Freeze HH, Muller EA 2nd.

Am J Med Genet A. 2019 Mar;179(3):498-502. doi: 10.1002/ajmg.a.61046. Epub 2019 Jan 24.

PMID:
30676690
6.

SAFT-γ Force Field for the Simulation of Molecular Fluids. 5. Hetero-Group Coarse-Grained Models of Linear Alkanes and the Importance of Intramolecular Interactions.

Rahman S, Lobanova O, Jiménez-Serratos G, Braga C, Raptis V, Müller EA, Jackson G, Avendaño C, Galindo A.

J Phys Chem B. 2018 Oct 4;122(39):9161-9177. doi: 10.1021/acs.jpcb.8b04095. Epub 2018 Sep 24.

PMID:
30179489
7.

Triglycerides/Glucose and Triglyceride/High-Density Lipoprotein Cholesterol Indices in Normal and Preeclamptic Pregnancies: A Longitudinal Study.

Poveda NE, Garcés MF, Darghan AE, Jaimes SAB, Sánchez EP, Díaz-Cruz LA, Garzón-Olivares CD, Parra-Pineda MO, Bautista-Charry AA, Müller EÁ, Alzate HFS, Acosta LMM, Sanchez E, Ruíz-Parra AI, Caminos JE.

Int J Endocrinol. 2018 Aug 6;2018:8956404. doi: 10.1155/2018/8956404. eCollection 2018.

8.

Photoinduced Tip-Sample Forces for Chemical Nanoimaging and Spectroscopy.

O'Callahan BT, Yan J, Menges F, Muller EA, Raschke MB.

Nano Lett. 2018 Sep 12;18(9):5499-5505. doi: 10.1021/acs.nanolett.8b01899. Epub 2018 Aug 14.

PMID:
30080975
9.

Bulk viscosity of molecular fluids.

Jaeger F, Matar OK, Müller EA.

J Chem Phys. 2018 May 7;148(17):174504. doi: 10.1063/1.5022752.

10.

Demixing, surface nematization, and competing adsorption in binary mixtures of hard rods and hard spheres under confinement.

Wu L, Malijevský A, Avendaño C, Müller EA, Jackson G.

J Chem Phys. 2018 Apr 28;148(16):164701. doi: 10.1063/1.5020002.

11.

Extension of the SAFT-VR Mie EoS To Model Homonuclear Rings and Its Parametrization Based on the Principle of Corresponding States.

Müller EA, Mejía A.

Langmuir. 2017 Oct 24;33(42):11518-11529. doi: 10.1021/acs.langmuir.7b00976. Epub 2017 Jun 28.

12.

Physical insights into the blood-brain barrier translocation mechanisms.

Theodorakis PE, Müller EA, Craster RV, Matar OK.

Phys Biol. 2017 Jun 6;14(4):041001. doi: 10.1088/1478-3975/aa708a. Review.

13.

A Langevin model for fluctuating contact angle behaviour parametrised using molecular dynamics.

Smith ER, Müller EA, Craster RV, Matar OK.

Soft Matter. 2016 Dec 6;12(48):9604-9615.

14.

Infrared vibrational nanocrystallography and nanoimaging.

Muller EA, Pollard B, Bechtel HA, van Blerkom P, Raschke MB.

Sci Adv. 2016 Oct 7;2(10):e1601006. eCollection 2016 Oct.

15.

Bottled SAFT: A Web App Providing SAFT-γ Mie Force Field Parameters for Thousands of Molecular Fluids.

Ervik Å, Mejía A, Müller EA.

J Chem Inf Model. 2016 Sep 26;56(9):1609-14. doi: 10.1021/acs.jcim.6b00149. Epub 2016 Aug 31.

16.

Assembly of porous smectic structures formed from interlocking high-symmetry planar nanorings.

Avendaño C, Jackson G, Müller EA, Escobedo FA.

Proc Natl Acad Sci U S A. 2016 Aug 30;113(35):9699-703. doi: 10.1073/pnas.1604717113. Epub 2016 Aug 18.

17.

Optimizing Water Transport through Graphene-Based Membranes: Insights from Nonequilibrium Molecular Dynamics.

Muscatello J, Jaeger F, Matar OK, Müller EA.

ACS Appl Mater Interfaces. 2016 May 18;8(19):12330-6. doi: 10.1021/acsami.5b12112. Epub 2016 May 4.

18.

Nonequilibrium study of the intrinsic free-energy profile across a liquid-vapour interface.

Braga C, Muscatello J, Lau G, Müller EA, Jackson G.

J Chem Phys. 2016 Jan 28;144(4):044703. doi: 10.1063/1.4940137.

19.

Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics.

Lau GV, Hunt PA, Müller EA, Jackson G, Ford IJ.

J Chem Phys. 2015 Dec 28;143(24):244709. doi: 10.1063/1.4935198.

20.

Broadband infrared vibrational nano-spectroscopy using thermal blackbody radiation.

O'Callahan BT, Lewis WE, Möbius S, Stanley JC, Muller EA, Raschke MB.

Opt Express. 2015 Dec 14;23(25):32063-74. doi: 10.1364/OE.23.032063.

PMID:
26698997
21.

Variable-Temperature Tip-Enhanced Raman Spectroscopy of Single-Molecule Fluctuations and Dynamics.

Park KD, Muller EA, Kravtsov V, Sass PM, Dreyer J, Atkin JM, Raschke MB.

Nano Lett. 2016 Jan 13;16(1):479-87. doi: 10.1021/acs.nanolett.5b04135. Epub 2015 Dec 28.

PMID:
26679007
22.

Subanesthetic ketamine infusions for the treatment of children and adolescents with chronic pain: a longitudinal study.

Sheehy KA, Muller EA, Lippold C, Nouraie M, Finkel JC, Quezado ZM.

BMC Pediatr. 2015 Dec 1;15:198. doi: 10.1186/s12887-015-0515-4.

23.

Publisher's Note: "Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders" [J. Chem. Phys. 143, 044906 (2015)].

Wu L, Malijevský A, Jackson G, Müller EA, Avendaño C.

J Chem Phys. 2015 Nov 14;143(18):189904. doi: 10.1063/1.4935131. No abstract available.

PMID:
26567693
24.

Modelling the superspreading of surfactant-laden droplets with computer simulation.

Theodorakis PE, Müller EA, Craster RV, Matar OK.

Soft Matter. 2015 Dec 28;11(48):9254-61. doi: 10.1039/c5sm02090e.

25.

Infrared Chemical Nano-Imaging: Accessing Structure, Coupling, and Dynamics on Molecular Length Scales.

Muller EA, Pollard B, Raschke MB.

J Phys Chem Lett. 2015 Apr 2;6(7):1275-84. doi: 10.1021/acs.jpclett.5b00108. Epub 2015 Mar 25.

PMID:
26262987
26.

Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders.

Wu L, Malijevský A, Jackson G, Müller EA, Avendaño C.

J Chem Phys. 2015 Jul 28;143(4):044906. doi: 10.1063/1.4923291. Erratum in: J Chem Phys. 2015 Nov 14;143(18):189904.

27.

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water.

Lau GV, Ford IJ, Hunt PA, Müller EA, Jackson G.

J Chem Phys. 2015 Mar 21;142(11):114701. doi: 10.1063/1.4913371.

28.

In Silico Determination of Gas Permeabilities by Non-Equilibrium Molecular Dynamics: CO2 and He through PIM-1.

Frentrup H, Hart KE, Colina CM, Müller EA.

Membranes (Basel). 2015 Mar 10;5(1):99-119. doi: 10.3390/membranes5010099.

29.

Superspreading: mechanisms and molecular design.

Theodorakis PE, Müller EA, Craster RV, Matar OK.

Langmuir. 2015 Mar 3;31(8):2304-9. doi: 10.1021/la5044798. Epub 2015 Feb 18.

30.

Modelling the interfacial behaviour of dilute light-switching surfactant solutions.

Herdes C, Santiso EE, James C, Eastoe J, Müller EA.

J Colloid Interface Sci. 2015 May 1;445:16-23. doi: 10.1016/j.jcis.2014.12.040. Epub 2014 Dec 26.

31.

Nonequilibrium molecular dynamics simulation of diffusion at the liquid-liquid interface.

Braga C, Galindo A, Müller EA.

J Chem Phys. 2014 Oct 21;141(15):154101. doi: 10.1063/1.4897159.

32.

Perinatal features of the RASopathies: Noonan syndrome, cardiofaciocutaneous syndrome and Costello syndrome.

Myers A, Bernstein JA, Brennan ML, Curry C, Esplin ED, Fisher J, Homeyer M, Manning MA, Muller EA, Niemi AK, Seaver LH, Hintz SR, Hudgins L.

Am J Med Genet A. 2014 Nov;164A(11):2814-21. doi: 10.1002/ajmg.a.36737. Epub 2014 Sep 22. Review.

PMID:
25250515
33.

Effective coarse-grained solid-fluid potentials and their application to model adsorption of fluids on heterogeneous surfaces.

Forte E, Haslam AJ, Jackson G, Müller EA.

Phys Chem Chem Phys. 2014 Sep 28;16(36):19165-80. doi: 10.1039/c4cp00670d.

PMID:
24872092
34.

Ultrabroadband infrared nanospectroscopic imaging.

Bechtel HA, Muller EA, Olmon RL, Martin MC, Raschke MB.

Proc Natl Acad Sci U S A. 2014 May 20;111(20):7191-6. doi: 10.1073/pnas.1400502111. Epub 2014 May 6.

35.

Vibrational nano-spectroscopic imaging correlating structure with intermolecular coupling and dynamics.

Pollard B, Muller EA, Hinrichs K, Raschke MB.

Nat Commun. 2014 Apr 11;5:3587. doi: 10.1038/ncomms4587.

36.

Force-field parameters from the SAFT-γ equation of state for use in coarse-grained molecular simulations.

Müller EA, Jackson G.

Annu Rev Chem Biomol Eng. 2014;5:405-27. doi: 10.1146/annurev-chembioeng-061312-103314. Epub 2014 Mar 31. Review.

PMID:
24702297
37.

Resolving Discrepancies in the Measurements of the Interfacial Tension for the CO2 + H2O Mixture by Computer Simulation.

Müller EA, Mejía A.

J Phys Chem Lett. 2014 Apr 3;5(7):1267-71. doi: 10.1021/jz500417w. Epub 2014 Mar 25.

PMID:
26274482
38.

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments.

Papaioannou V, Lafitte T, Avendaño C, Adjiman CS, Jackson G, Müller EA, Galindo A.

J Chem Phys. 2014 Feb 7;140(5):054107. doi: 10.1063/1.4851455.

39.

Nano-chemical infrared imaging of membrane proteins in lipid bilayers.

Berweger S, Nguyen DM, Muller EA, Bechtel HA, Perkins TT, Raschke MB.

J Am Chem Soc. 2013 Dec 11;135(49):18292-5. doi: 10.1021/ja409815g. Epub 2013 Dec 2.

PMID:
24251914
40.

Accurate statistical associating fluid theory for chain molecules formed from Mie segments.

Lafitte T, Apostolakou A, Avendaño C, Galindo A, Adjiman CS, Müller EA, Jackson G.

J Chem Phys. 2013 Oct 21;139(15):154504. doi: 10.1063/1.4819786.

41.

On the molecular origin of high-pressure effects in nanoconfinement: the role of surface chemistry and roughness.

Long Y, Palmer JC, Coasne B, Śliwinska-Bartkowiak M, Jackson G, Müller EA, Gubbins KE.

J Chem Phys. 2013 Oct 14;139(14):144701. doi: 10.1063/1.4824125.

42.

Liquid crystal phase behaviour of attractive disc-like particles.

Wu L, Jackson G, Müller EA.

Int J Mol Sci. 2013 Aug 8;14(8):16414-42. doi: 10.3390/ijms140816414.

43.

Near- and far-field spectroscopic imaging investigation of resonant square-loop infrared metasurfaces.

D' Archangel J, Tucker E, Kinzel E, Muller EA, Bechtel HA, Martin MC, Raschke MB, Boreman G.

Opt Express. 2013 Jul 15;21(14):17150-60. doi: 10.1364/OE.21.017150.

PMID:
23938562
44.

Femtosecond electron solvation at the ionic liquid/metal electrode interface.

Muller EA, Strader ML, Johns JE, Yang A, Caplins BW, Shearer AJ, Suich DE, Harris CB.

J Am Chem Soc. 2013 Jul 24;135(29):10646-53. doi: 10.1021/ja3108593. Epub 2013 Jul 10.

PMID:
23790087
45.

Fundamental studies of methyl iodide adsorption in DABCO impregnated activated carbons.

Herdes C, Prosenjak C, Román S, Müller EA.

Langmuir. 2013 Jun 11;29(23):6849-55. doi: 10.1021/la401334d. Epub 2013 May 24.

PMID:
23679202
46.

SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes.

Avendaño C, Lafitte T, Adjiman CS, Galindo A, Müller EA, Jackson G.

J Phys Chem B. 2013 Mar 7;117(9):2717-33. doi: 10.1021/jp306442b. Epub 2013 Feb 27.

PMID:
23311931
47.

The effects of BungeeSkate training on measures of on-ice acceleration and speed.

Janot JM, Auner KA, Emberts TM, Kaatz RM, Matteson KM, Muller EA, Cook M.

Int J Sports Physiol Perform. 2013 Jul;8(4):419-27. Epub 2012 Dec 10.

PMID:
23237915
48.

Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules.

Jover J, Haslam AJ, Galindo A, Jackson G, Müller EA.

J Chem Phys. 2012 Oct 14;137(14):144505. doi: 10.1063/1.4754275.

PMID:
23061853
49.

Excess equimolar radius of liquid drops.

Horsch M, Hasse H, Shchekin AK, Agarwal A, Eckelsbach S, Vrabec J, Müller EA, Jackson G.

Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Mar;85(3 Pt 1):031605. Epub 2012 Mar 26.

PMID:
22587106
50.

Microdeletion 9q22.3 syndrome includes metopic craniosynostosis, hydrocephalus, macrosomia, and developmental delay.

Muller EA, Aradhya S, Atkin JF, Carmany EP, Elliott AM, Chudley AE, Clark RD, Everman DB, Garner S, Hall BD, Herman GE, Kivuva E, Ramanathan S, Stevenson DA, Stockton DW, Hudgins L.

Am J Med Genet A. 2012 Feb;158A(2):391-9. doi: 10.1002/ajmg.a.34216. Epub 2011 Dec 21.

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