Publications

2017

52. Glucose and Mannose: A link between hydration and sweetness
Journal of Physical Chemistry B
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*
DOI: http://dx.doi.org/10.1016/j.cplett.2017.03.040


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


2016

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

46.
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

DOI:10.1039/C6CP04183C
 
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
DOI:10.1039/C6P02645A

44.
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*
DOI:10.1039/C5CP06090G

2015

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

DOI:10.1063/1.4904291

2014

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
http://dx.doi.org/10.1016/j.bpj.2014.01.046


2013


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
http://dx.doi.org/10.1016/j.chemphys.2012.10.016

2012

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*
doi:10.1371/journal.pone.0045311

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
doi:10.1016/j.bpj.2012.08.010


2011

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*
http://dx.doi.org/10.1063/1.3658382


2010

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*
http://dx.doi.org/10.1063/1.3488998

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

2008

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
http://dx.doi.org/10.1016/j.chemphys.2007.07.052

2007

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
http://dx.doi.org/10.1063/1.2784555

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
http://dx.doi.org/10.1063/1.2743021

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
http://dx.doi.org/10.1016/j.molliq.2006.08.042

2006

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
http://dx.doi.org/10.1063/1.2170077


2005

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

2004

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


2003

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
http://dx.doi.org/10.1063/1.1611999

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
http://dx.doi.org/10.1063/1.1604382

2002

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
Link

1999

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

                                                                                                                                            
Design downloaded from free website templates.