Supplemental Data for:Degradation of glycine and alanine on irradiated quartz

Journal: Origins of Life and Evolution of Biospheres

Authors: Maciej Pawlikowski [1], Aleksandra Benko [2], Tomasz P. Wróbel [3]

S.M. 1. FTIR-ATR spectrum of pure quartz (LQ).

S.M. 2. Original absorbance UV-VIS spectra of the with water, at different stages of the reaction progress.

S.M. 3. Baseline-shifted UV-VIS spectra of with water, during the reaction, used for kinetics calculation.

S.M. 4. FTIR-ATR spectra of alanine solutions at different times of the reaction. The only spectral change not obscured by quartz varying signals is marked with an arrow.

S.M. 5. Comparison of crystallites spectra of glycinein the full range before and after the reaction without quartz. Spectra were offset for clarity.

S.M. 6. Comparison of crystallites spectra of glycinein the full range before and after the reaction with quartz. Spectra were offset for clarity.

S.M. 7. Comparison of crystallites spectra of alanine in the full range before and after the reaction with quartz. Spectra were offset for clarity.

S.M. 8Visible bands in the infrared spectra of crystalline alanine

ν [] / Assignment / Spectral changes
before / after / Literature / This work
485.54 / 484.47 / τ (a, b) / Increased intensity
506 / ν C-C=O in acetaldehyde (f) / New band
538.81 / 537.05 /  / δ C-CO in aliphatic aldehydes (g) / Increased intensity
589.31 / τ OH in pyruvic acid (h) / New band
646.22 / 646.70 / (a, b)
δ (c)
681.61 / δ C-C-CO in aliphatic aldehydes (g) / New band
694 / δ in carbonitrates (g) / New band
771.07 / 771.07 /  (a, e)
δ (b, d)
ω / δ C-H in acetaldehyde (f)
798 / δ C-H in aldehydes (g) / New band
849.61 / 848.68 / 2 ν CCNC (a, b, d)
ρ (b, d)
τ (c) / ν C-C in acetaldehyde (f) / Increased intensity
897.09 / Peroxides, possibly nitro peroxide (g) / New band
919.04 / 918.37 / ν as CCNC (a, b)
τ
ρ
ρ (b)
931 / New band
1012.46 / 1012.44 / ν s CCNC (a, b, d)
ρ (c) / Increased intensity
1038.45 / ν s in carbonitrates (g) / New band
1113.31 / 1112.83 / ρ (a, b, c, d, e) / Increased intensity
1150.65 / 1150.43 / ρ(b)
ρ(b, e)
δ CH (c, d)
1235.94 / 1235.21 / ρ(a, b, e)
ρ CH (c)
1305.80 / 1304.75 / δ CH (a, b, c, d) / ν as in carbonitrates (g) / Increased intensity
1329.76 / ρ C- H in aliphatic aldehydes
ν s in α, β - unsaturated nitro compounds (g)
δ s in pyruvic acid (h) / New band
1360.98 / 1359.48 / δ s (a, c)
δ as (b, d, e)
1410.84 / 1410.52 / ν s (a, b, c, d) / Increased intensity
1453.62 / 1453.62 / δ as (a, b, c, d)
1505.25 / 1506.87 / δ s / ν as in α, β - unsaturated nitro compounds (g) / Increased intensity
1517.47 / 1517.32 / δ s (b, c, d, e) / Decreased intensity
1583.35 / 1584.37 / ν as (a, b, c, d)
δ (b)
1612.98 / 1613.32 / δ as (b, c, e)
ν a (b)
(e) / ν C=N in carbonitrates (g) / Increased intensity
2111.26 / 2109.28 / δ s + τ (c)
2508.04 / 2505.55 / region of overtones,
Fermi resonances
and combination
bands (e).
2597.65 / 2596.17
2652.83 / 2652.94 / Decreased intensity
2728.15 / 2726.97 / ν C-H in aldehydes (g) / Increased intensity
2780.16 / 2777.81
2807.38 / 2807.15 / ν C-H in aldehydes (g) / Slightly increased intensity
2933.87 / 2932.20 / ν s (c, e)
ν CH (d)
2986.13 / 2985.93 / ν as (c, e)
ν (b, d)
2999 / 2999 / ν as / Decreased intensity
3063.52 / 3060.83 / ν as (c, e) / Decreased intensity

Annotations 1

, ν, δ,, τ – rocking, stretching, bending, wagging and torsion modes, respectively

a, b, c, d, e - (Wang, et al., 1971; Rozenberg, et al., 2003; Minkov, et al., 2010; Gerakines, et al., 2012; Barthes, et al., 2002), respectively;

f, g, h - (Kleiner, et al., 2008; Spe12; Reva, et al., 2001), respectively.

[1]Laboratory of Biomineralogy, Department of Mineralogy, Petrography and Geochemistry, Faculty of Geology, Geophysics and Environment Protection, AGH-Univ. of Science and Technology, A. Mickiewicz 30 Ave. 30-059 Krakow, Poland

[2]Department of Biomaterials Science, Faculty of Materials Science and Ceramics, AGH-Univ. of Science and Technology, A. Mickiewicz 30 Ave. 30-059 Cracow, Poland. Corresponding author. E-mail: , Phone: +48792034 144

[3] Faculty of Chemistry, Jagiellonian University, Ingarden 3 St., 30-060, Cracow, Poland