root.bib: Add smith13 as a salt-effect reference

diff --git a/src/local_cmmds.tex b/src/local_cmmds.tex
index ea44ae7aaa6cd271e200a4944ae3f5945b14008e..a09e76a2106fe9688b78bcd743192b861d1a2dde 100644 (file)
--- a/src/local_cmmds.tex
+++ b/src/local_cmmds.tex
@@ -149,6 +149,8 @@
 \newcommand{\Cu}{Cu\textsuperscript{2+}}
 \newcommand{\Cl}{Cl\textsuperscript{-}}
 \newcommand{\HCl}{HCl}
+\newcommand{\KCl}{KCl}
+\newcommand{\MgCl}{MgCl\textsubscript{2}}
 \newcommand{\Na}{Na\textsuperscript{+}}
 \newcommand{\NaCl}{NaCl}
 \newcommand{\diNaHPO}{Na\textsubscript{2}HPO\textsubscript{4}}

diff --git a/src/root.bib b/src/root.bib
index 751ed0bf7f9f2ff7250d3b82dfc6b4366203f5ed..b73c936fff93770b8dbf88d5a30e0cbd5ff53997 100644 (file)
--- a/src/root.bib
+++ b/src/root.bib
@@ -228,6 +228,7 @@
 @string{PSCremer = "Cremer, Paul S."}
 @string{CCroarkin = "Croarkin, Carroll"}
 @string{VCroquette = "Croquette, Vincent"}
+@string{LCCruz = "Cruz, Luis Cruz"}
 @string{YCui = "Cui, Y."}
 @string{COSB = "Current Opinion in Structural Biology"}
 @string{COCB = "Current Opinion in Chemical Biology"}
@@ -971,6 +972,7 @@
 @string{DASmith = "Smith, D. Alastair"}
 @string{HOSmith = "Smith, H. O."}
 @string{KBSmith = "Smith, Kathryn B."}
+@string{MDSmith = "Smith, Micholas Dean"}
 @string{SSmith = "Smith, S."}
 @string{SBSmith = "Smith, S. B."}
 @string{TSmith = "Smith, T."}
@@ -11034,6 +11036,52 @@
     effects only kick in at higher consentrations.},
 }
 
+@article{ smith13,
+  author = MDSmith #" and "# LCCruz,
+  title = {Effect of Ionic Aqueous Environments on the Structure and
+    Dynamics of the A$\beta_{21-30}$ Fragment: a Molecular-Dynamics
+    Study.},
+  year = 2013,
+  month = jun,
+  day = 6,
+  address = {Department of Physics, 3141 Chestnut Street,
+             Drexel University, Philadelphia, Pennsylvania 19104,
+             United States.},
+  journal = JPC:B,
+  volume = 117,
+  number = 22,
+  pages = {6614--6624},
+  issn = {1520-5207},
+  doi = {10.1021/jp312653h},
+  url = {http://www.ncbi.nlm.nih.gov/pubmed/23675877},
+  language = {eng},
+  abstract = {The amyloid $\beta$-protein (A$\beta$) has been
+    implicated in the pathogenesis of Alzheimer's disease.  The role
+    of the structure and dynamics of the central A$\beta_{21-30}$
+    decapeptide region of the full-length A$\beta$ is considered
+    crucial in the aggregation pathway of A$\beta$. Here we report
+    results of isobaric--isothermal (NPT) all-atom explicit water
+    molecular dynamics simulations of the monomeric form of the
+    wild-type A$\beta_{21-30}$ fragment in aqueous salt environments
+    formed by neurobiologically important group IA (\NaCl, \KCl) and
+    group IIA (\CaCl, \MgCl) salts. Our simulations reveal the
+    existence of salt-specific changes to secondary structure
+    propensities, lifetimes, hydrogen bonding, salt-bridge formation,
+    and decapeptide--ion contacts of this decapeptide. These results
+    suggest that aqueous environments with the \CaCl\ salt, and to a
+    much lesser extent the \MgCl\ salt, have profound effects by
+    increasing random coil structure propensities and lifetimes and
+    diminishing intrapeptide hydrogen bonding. These effects are
+    rationalized in terms of direct cation--decapeptide contacts and
+    changes to the hydration-shell water molecules. On the other side
+    of the spectrum, environments with the \NaCl\ and \KCl\ salts have
+    little influence on the decapeptide's secondary structure despite
+    increasing hydrogen bonding, salt-bridge formation, and lifetime
+    of turn structures.  The observed enhancement of open structures
+    by group IIA may be of importance in the folding and aggregation
+    pathway of the full-length A$\beta$.},
+}
+
 @article{ dyson05,
   author = HJDyson #" and "# PEWright,
   title = {Intrinsically unstructured proteins and their functions.},