This study investigates the stability of chiral-molecule solution phases, with a specific focus on amino acids. The model framework is based on a two-dimensional square lattice model, where individual sites may be occupied by oriented chiral molecules or structureless solvent particles. Utilizing the Glauber dynamics and statistical mechanical formalism, as previously introduced and examined by Lombardo et al., we explore the influence of temperature, amino acid concentration, enantiomeric excess, and homochiral interaction strength on nucleation mechanisms, equilibrium phase behavior, and crystal composition. Our findings offer thermodynamic insights into the chiral amplification process of amino acids, contributing to a deeper understanding of the underlying processes.

1.
T. G.
Lombardo
,
F. H.
Stillinger
, and
P. G.
Debenedetti
,
Proc. Natl. Acad. Sci. U. S. A.
106
,
15131
(
2009
).
2.
K.
Soai
,
T.
Kawasaki
, and
A.
Matsumoto
,
Tetrahedron
74
,
1973
(
2018
).
3.
A. H.
Engwerda
,
R.
Maassen
,
P.
Tinnemans
,
H.
Meekes
,
F. P.
Rutjes
, and
E.
Vlieg
,
Angew. Chem., Int. Ed.
58
,
1670
(
2019
).
4.
M.
Klussmann
,
H.
Iwamura
,
S. P.
Mathew
,
D. H.
Wells
,
U.
Pandya
,
A.
Armstrong
, and
D. G.
Blackmond
,
Nature
441
,
621
(
2006
).
5.
P. M.
Piaggi
,
R.
Car
,
F. H.
Stillinger
, and
P. G.
Debenedetti
,
J. Chem. Phys.
159
,
114502
(
2023
).
6.
F.
Latinwo
,
F. H.
Stillinger
, and
P. G.
Debenedetti
,
J. Chem. Phys.
145
,
154503
(
2016
).
7.
S.
Friedli
and
Y.
Velenik
,
Statistical Mechanics of Lattice Systems: A Concrete Mathematical Introduction
(
Cambridge University Press
,
2017
).
8.
D.
Gebauer
and
H.
Cölfen
,
Nano Today
6
,
564
(
2011
).
9.
M.
Kellermeier
,
R.
Rosenberg
,
A.
Moise
,
U.
Anders
,
M.
Przybylski
, and
H.
Cölfen
,
Faraday Discuss.
159
,
23
(
2012
).
10.
P.
Nemes
,
G.
Schlosser
, and
K.
Vékey
,
J. Mass Spectrom.
40
,
43
(
2005
).
11.
H. W.
Hatch
,
F. H.
Stillinger
, and
P. G.
Debenedetti
,
J. Chem. Phys.
133
,
224502
(
2010
).
12.
J.
Marro
and
R.
Dickman
, Nonequilibrium phase transitions in lattice models (
2005
).
13.
R. V.
Solé
,
B. A.
Luque
, and
S. A.
Kauffman
, “
Phase transitions in random networks with multiple states
,” Santa Fe Institute Report No. 00-02-011,
2000
.
14.
R. V.
Solé
,
Phase Transitions
, Primers in Complex Systems Vol. 3 (
Princeton University Press
,
2011
).
15.
M.
Kumar
and
C.
Dasgupta
,
Phys. Rev. E
102
,
052111
(
2020
).
16.
F.
Wang
and
D. P.
Landau
,
Phys. Rev. Lett.
86
,
2050
(
2001
).
17.
H.
Imai
and
T.
Asano
,
SIAM J. COmput.
15
,
478
(
1986
).
18.
V. I.
Kalikmanov
,
Nucleation Theory
(
Springer
,
2012
), pp.
17
41
.
19.
Y.
Wang
,
S. J.
Bunce
,
S. E.
Radford
,
A. J.
Wilson
,
S.
Auer
, and
C. K.
Hall
,
Proc. Natl. Acad. Sci. U. S. A.
116
,
2091
(
2019
).
20.
V.
Scutelnic
,
M. A.
Perez
,
M.
Marianski
,
S.
Warnke
,
A.
Gregor
,
U.
Rothlisberger
,
M. T.
Bowers
,
C.
Baldauf
,
G.
von Helden
,
T. R.
Rizzo
, and
J.
Seo
,
J. Am. Chem. Soc.
140
,
7554
(
2018
).
21.
B.
Concina
,
P.
Hvelplund
,
A.
Nielsen
,
S. B.
Nielsen
,
J.
Rangama
,
B.
Liu
, and
S.
Tomita
,
J. Am. Soc. Mass Spectrom.
17
,
275
(
2006
).
22.
P.
Friant-Michel
and
M. F.
Ruiz-Lopez
,
ChemPhysChem
11
,
3499
(
2010
).
23.
G.
Zimbitas
,
A.
Jawor-Baczynska
,
M. J.
Vesga
,
N.
Javid
,
B. D.
Moore
,
J.
Parkinson
, and
J.
Sefcik
,
Colloids Surf., A
579
,
123633
(
2019
).
24.
E. J. P.
Malar
and
P.
Divya
,
J. Phys. Chem. B
122
,
6462
(
2018
).
25.
A. E.
Counterman
and
D. E.
Clemmer
,
J. Phys. Chem. B
105
,
8092
(
2001
).
26.
S. C.
Nanita
and
R. G.
Cooks
,
Angew. Chem., Int. Ed.
45
,
554
(
2006
).
27.
J. S.
Jordan
and
E. R.
Williams
,
Anal. Chem.
93
,
1725
(
2020
).
28.
C. A.
Schalley
and
P.
Weis
,
Int. J. Mass Spectrom.
221
,
9
(
2002
).
29.
D.
Gebauer
,
A.
Völkel
, and
H.
Cölfen
,
Science
322
,
1819
(
2008
).
30.
A.
Picker
,
M.
Kellermeier
,
J.
Seto
,
D.
Gebauer
, and
H.
Cölfen
,
Z. Kristallogr.—Cryst. Mater.
227
,
744
(
2012
).
31.
D.
Grant
,
M.
Mehdizadeh
,
A.-L.
Chow
, and
J.
Fairbrother
,
Int. J. Pharm.
18
,
25
(
1984
).
32.
R.
Cruz-Simbron
(
2023
). “
Quiral amplification lattice project
,” GitHub. https://github.com/romulo-cruzsimbron/quirality_montecarlo

Supplementary Material

You do not currently have access to this content.