54. On the solvation of the phosphocholine headgroup in an aqueous propylene glycol solution
J. Chem. Phys., 148, 1351032 (2018)
DOI: 10.1063/1.5024850

Reply to the ‘Comment on “On the positional and orientational order of water and methanol around indole: a study on the microscopic origin of solubility” Phys. Chem. Chem. Phys., 2018, 20, DOI: 10.1039/C7CP03698A’
Phys. Chem. Chem. Phys., 20, 2116-2119  (2018)
Pardo, LC and McLain, SE*


52. Glucose and Mannose: A link between hydration and sweetness
J. Phys. Chem. B., 121, 771-776 (2017)
Rhys, NH; Bruni, F; Imberti, S; McLain SE and Ricci, MA
DOI: 10.1021/acs.jpcb.7b03919

51. On the structure of prilocaine in aqueous and amphiphilic solutions
Phys. Chem. Chem. Phys. 19, 12665-12673 (2017)
Silva-Santisteban, A; Steinke, N, Johnston, AJ, Ruiz, GN, Pardo, LC and McLain, SE*
DOI: 10.1039/C7CP01723E

50. On the hydration and conformation of cocaine in solution
Chem. Phys. Letts., 676, 58-64 (2017)
Gillams, RJ, Lorenz, CD and McLain, SE*

49. Salt interactions in solution prevent urea from direct association with a peptide backbone
J. Phys. Chem. B121, 1866–1876 (2017)

Steinke, N, Genina, A, Lorenz, CD and  McLain, SE
DOI: 10.1021/acs.jpcb.6b12542

48. Structure-activity relationships in carbohydrates revealed by their hydration
Bioch. Biophys. Acta, 1861 (6), 1486-1493 (2017)
Maugeri, L, Busch, S, McLain, SE, Pardo, LC, Bruni, F and Ricci, MA
DOI: S0304416516305116


47. On the structure of an aqueous propylene glycol solution
J. Chem. Phys., 145, 224504 (2016)
Rhys, NH, Gillams, RJ, Collins, LE, Callear, SJ, Lawrence, MJ and McLain, SE*

DOI: 10.1063/1.4971208

On the positional and orientational order of water and methanol around indole: a study on the microscopic origin of solubility
Phys. Chem. Chem. Phys., 18, 23006-23016  (2016)
Henao, A, Johnston AJ, Guardia, E, McLain, SE* and Pardo, LC

45.  The solvation structure of Alprazolam
Phys. Chem. Chem. Phys., 18, 22416-22425 (2016)
Sridhar, A, Johnston, AJ, Varathan, L, McLain, SE* and Biggin, PC

Comparative atomic-scale hydration of the ceramide and phosphocholine headgroup in solution and bilayer environments
J. Chem. Phys., 144, 225101 (2016)
Gillams, RJ, Lorenz, CD and McLain, SE*
DOI: 10.1063/1.4952444

43. Atomic scale insights into urea-peptide interactions in solution
Phys. Chem. Chem. Phys., 18, 3862-3870 (2016)
Steinke, N, Gillams, RJ, Pardo, LC, Lorenz, CD and McLain, SE*
DOI: 10.1039/C5CP06646H

42. On the Atomic Structure of Cocaine in Solution
Phys. Chem. Chem. Phys., 18, 991-999 (2016)
Johnston, AJ, Busch, S, Pardo, LC, Callear, SK, Biggin PC and McLain SE*


41. Amphipathic Solvation of Indole: Implications for the Role of Tryptophan in Membrane Proteins
J. Phys. Chem. B, 119 (19), 5979-5987 (2015).
Johnston, AJ, Zhang, Y (Rosie), Busch, S, Pardo, LC, Imberti, S and McLain SE*
DOI: 10.1021/acs.jpcb.5b02476

40. Solvation and Hydration of the Ceramide Headgroup in a Non-Polar Solution
J. Phys. Chem. B, 119 (1), 128-139 (2015).
Gillams, RJ, Busto, JV, Busch, S, Goñi, FM, Lorenz, CD and McLain, SE*
DOI: 10.1021/jp5107789

39. Conformation and interactions of dopamine hydrochloride in solution
J. Chem. Phys., 142, 014502 (2015)

 Callear, SJ, Johnson, AJ, McLain, SE and Imberti, S



38. On the Short-Range Interactions of Concentrated Proline in Aqueous Solution
J. Phys. Chem. B, 118 (49), 14267-14277 (2014).
Busch, S, Lorenz, CD, Taylor, JW, Pardo, LC and McLain, SE*
DOI: 10.1021/jp508779d

37. Modulation of dipalmitolyphosphatidylcholine monolayers by dimethylsulfoxide
Langmuir, 30 (29), 8803-8811 (2014).
Dabrowska, AP, Collins, LE, Barlow, DE, Barker, RD, McLain, SE, Lawrence, MJ and Lorenz, CD
DOI: 10.1021/la501275h

36.  Water-peptide site-specific interactions: A structural study on the hydration of glutathione
Biophys. J, 106 (8), 1701-1709 (2014).
Scoppola, E, Sodo, A, McLain, SE, Ricci MA and Bruni F


35.  Water mediation essential to nucleation of β-turn formation in peptide folding motifs
Angew. Chem., Int Ed., 52 (49), 13091-13095 (2013).
Busch, S; Bruce, CD; Redfield C; Lorenz, CD and McLain SE*
DOI: 10.1002/ange.201307657

34. On the structure of water and chloride ion interactions with a peptide backbone in solution.
Phys. Chem. Chem. Phys., 15, 21023-21033 (2013)
Busch, S; Pardo, LC; O'Dell WB; Bruce, CD; Lorenz CD and McLain SE*
DOI: 10.1039/C3CP53831A

33. On nature of hydrogen bonding between the phosphatidylcholine head group and water and dimethylsulfoxide

Chem. Phys., 410, 31-36 (2013).
Dabrowska, AP, Lawrence, MJ, McLain, SE and Lorenz, CD


32. Structural evidence for inter-residue hydrogen bonding observed for cellobiose in aqueous solution
PLoS ONE 7(10):e45311 (2012).
O'Dell, WB, Baker DC and McLain, SE*

31. Alteration of water structure by peptide clusters revealed by neutron scattering in the small angle region (below 1 Å-1)
Biophys. J., 103, 1518-1524 (2012).
Diadone, I, Iacobucci, C, McLain, SE and Smith, JC


30. On the solvation of the phosphocholine headgroup in DMSO/water solutions
J. Chem. Phys., 135, 225105 (2011).
Dabrowska, AP , Foglia, F, Lawrence, MJ, Lorenz, CD and  McLain, SE*


29. On the hydration of the phosphocholine headgroup in aqueous solution
J. Chem. Phys., 133, 145103  (2010).
Foglia, F, Lawrence, MJ, Lorenz, CD and McLain, SE*

28. Water and trehalose: How much do they interact with each other?
J. Phys. Chem. B, 114, 4904-4908 (2010).
Pagnotta, SE, McLain, SE, Soper, AK, Bruni, F. and Ricci, MA
DOI: 10.1021/jp911940h


27. Charge based interactions between peptides observed as the dominant force for clustering in solution.
Angew. Chem., Int. Ed., 47, 9059-9062 (2008).
McLain, SE*, Soper, AK, Diadone, I, Smith, JC and Watts, A
DOI: 10.1002/anie.200802679

26. Water structure around peptide fragments in aqueous solutions.
Euro. Biophys. J., 37, 647-655 (2008).
McLain, SE*, Soper, AK and Watts, A
DOI: 10.1007/s00249-008-0292-1

25. Water structure around trehalose.
Chem. Phys., 345, 159-163 (2008).
Pagnotta, SE, Ricci, MA, Bruni F, McLain, SE and Magazu, S


24. Investigations on the structure of DMSO and acetone in aqueous solution.
J. Chem. Phys., 127, 174515  (2007).
McLain, SE*, Soper, AK and Luzar A

23. The structure of aqueous proline via parallel tempering molecular dynamics and neutron diffraction.
J. Phys. Chem. B, 111, 8210-8222 (2007).
Troitzsch, R., Martyna, G., McLain, SE, Soper, AK and Crain, J
DOI: 10.1021/jp0714973

22. Intrinsic magnetic order in Cs2AgF4 detected by muon-spin relaxation.
Phys. Rev. B, 75, 220408(R) (2007).
Lancaster, T, Blundell, SJ, Baker, PJ, Hayes, W, McLain, SE, Giblin, SR, Pratt, FL, Salman, Z, Jacobs, EA, Turner, JFC and Barnes, T
DOI: 10.1103/PhysRevB.75.220408

21. Correlated atomic motions in liquid deuterium fluoride studied by coherent quasielastic neutron scattering.
J. Chem. Phys., 126, 234509 (2007).
Fernandez-Alonso, F McLain, SE, Taylor, JW, Bermejo, FJ, Bustinduy, I, Ruiz-Martin MD and Turner, JFC

20. Structure and hydration of L-proline in aqueous solutions.
J. Phys. Chem. B, 111, 4568-4580 (2007).
McLain, SE*, Soper, AK, Terry, AE and Watts, A
DOI: 10.1021/jp068340f

19. Observation of fractional Stokes-Einstein behavior in the simplest hydrogen-bonded liquid.
Phys. Rev. Lett.98, 077801 (2007).
Fernandez-Alonso, F, Bermejo, FJ, McLain, SE, Turner, JFC, Molaison, JJ and Herwig, KH

18. On the structure of antimony pentafluoride in the liquid phase.
J. Mol. Liq. Special Issue: 29th International Conference on Solution Chemistry (invited paper)131-132, 239-245 (2007).
McLain, SE, Soper, AK, Molaison, JJ, Dolgos, MR, Benmore, CJ, Yarger, JW and Turner, JFC


17. Structural studies on the hydration of L-glutamic acid in solution.
J. Phys. Chem. B, 110, 21251-21258 (2006)
McLain, SE*, Soper, AK and Watts, A
DOI: 10.1021/jp062383e

16. Structure of 2 molar NaOH in aqueous solution from neutron diffraction and empirical potential structure refinement.
Phys. Rev. B, 74, 094201 (2006).
McLain, SE, Imberti, S, Soper, AK, Ricci, MA, Bruni, F and Botti, A
DOI: 10.1103/PhysRevB.74.094201

15. The hydration of the neurotransmitter acetylcholine in aqueous solution.
Biophys. J., 91, 2371-2380 (2006).
Hulme, EC, Soper, AK, McLain SE* and Finney, JL
DOI: 10.1529/biophysj.106.089185

14. Magnetic behaviour of layered Ag(II) fluorides.
Nature Materials, 5, 561-565 (2006).
McLain, SE, Dolgos, MR, Tennant, DA, Turner, JFC, Barnes, T, Proffen, Th, Sales, BC and Bewley, RI
DOI: 10.1038/nmat1670

13. Evidence of the presence of opticlike collective modes in a liquid from neutron scattering experiments
Phys. Rev. Lett., 96, 235501 (2006).
Bermejo, FJ, Taylor, JW, McLain, SE, Bustinduy, I, Turner, JFC, Ruiz-Martin MD, Cabrillo, C and Fernandez-Perea, R
DOI: 10.1103/PhysRevLett.96.235501

12. Orientational correlations in liquid acetone and DMSO: a comparative study.
J. Chem. Phys124, 074502 (2006).
McLain, SE*, Soper, AK and Luzar A


11. Atomic pair distribution analysis of materials containing crystalline and amorphous phases.
Z. Kristallogr. 220, 1002-1008 (2005).
Page, KL, Proffen, Th, McLain, SE, Clausen, B, Darling, TW, TenCate, JA, Lee, S-Y and Ustundag, E
DOI: 10.1524/zkri.2005.220.12.1002


10. Local structural evidence of Fontainebleau sandstone: Evidence for an amorphous phase?
Geophys. Res. Letts
31, L24606 (2004).
Page, KL, Proffen, Th, McLain, SE, Darling, TW and TenCate, JA
DOI: 10.1029/2004GL021717

9. A structural comparison of supercooled water and amorphous ices.
Mol. Phys., Jack Powles Special Issue, 102, 2007-2013 (2004).
Urquidi, J, Benmore, CJ, Egelstaff, PA, Guthrie, M, McLain, SE, Tulk, CA, Klug, DD and Turner, JFC
DOI: 10.1080/00268970412331292650

8. The temperature dependent structure of liquid deuterium fluoride.
J. Chem. Phys., 121, 6448-6455 (2004).
McLain, SE, Benmore, CJ, Siewenie, JE and Turner, JFC

7. On the structure of liquid hydrogen fluoride.
Angew. Chem., Int. Ed., 43, 1952-1955 (2004).
McLain, SE, Benmore, CJ, Siewenie, JE, Urquidi, J and Turner, JFC
DOI: 10.1002/anie.200353289


6. Sample containment for neutron and high-energy x-ray scattering studies of hydrogen fluoride and related molecular species.
Rev. Sci. Intrum., 74, 4410-4417 (2003).
Turner, JFC, McLain, SE, Free, TH, Herwig, KH, Benmore, CJ and Siewenie, JE

5. On the structure of boron trifluoride in liquid and supercritical phase investigated with neutron diffraction.
J. Chem. Phys.119, 6671-6679 (2003).
McLain, SE, Siewenie, JE, Benmore, CJ and Turner, JFC


4. The structure of liquid fluorosulfuric acid determined by neutron diffraction.
J. Chem. Phys., 117, 3816-3821 (2002).
McLain, SE, Benmore, CJ and Turner, JFC

3. Removal of phosphorus-based extractant contamination from lutetium oxalate produced by precipitation stripping.
Metal. Mater. Trans. B.,33B, 145-147 (2002).
Smith, PM, Schweitzer, GK and McLain, S
DOI: 10.1007/s11663-002-0097-z

2. Geographic variation of multiple paternity in the common garter snake (Thamnophis sirtalis).
Copeia, 1, 15-23 (2002).
Garner, TWJ, Gregory, PJ, McCracken, GF, Burghardt, GM, Koop, BF, McLain, SE and Nelson, JR


1. Microsatellite markers and multiple paternity in the garter snake Thamnophis sirtalis.
McCracken, GF, Burghardt, GM and Houts (nee McLain), SE
Molecular Ecology 8, 1475-1479 (1999).
DOI: 10.1046/j.1365-294x.1999.00720.x

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