Chemistry, structural insight and applications of β-sheet forming lipopeptides

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Chemistry, structural insight and applications of β-sheet forming

lipopeptides

Cavalli, S.

Citation

Cavalli, S. (2007, January 25). Chemistry, structural insight and applications of β-sheet

forming lipopeptides. Retrieved from https://hdl.handle.net/1887/9452

Version: Corrected Publisher’s Version

License: Licence agreement concerning inclusion of doctoral thesis in the

Institutional Repository of the University of Leiden

Downloaded from: https://hdl.handle.net/1887/9452

Note: To cite this publication please use the final published version (if applicable).

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Appendix 1: GIXD DATA

163

Appendix 1 GIXD DATA

Table 1. GIXD data of hexa- and octa-ALP (Chapter 2 and 3).

Hexa-ALP (6b) on Milli-Q water

(0,1)^f (2,0)^e

π qxy d^a Lxyb Imaxc qzd hz qxy d Lxy Imax

mN/m Å^-1 Å Å a.u. Å^-1 Å Å^-1 Å Å a.u.

0.5 0.1209 52.0 520 5994 0.369 16.2 1.3055 4.81 47 1711 10 0.1379 45.6 553 12936 0.375 17.9 1.3149 4.78 60 2490 10 0.1373 45.8 577 8802 0.382 16.6 1.3128 4.79 46 2033

Octa-ALP (6c) on Milli-Q water

0.7 0.0990 63.5 487 2398 0.293 17.7 1.3050 4.81 52 1900 0.5^g 0.1070 58.7 365 5429 0.333 16.2 1.3147 4.78 40 4243 1.1 0.1013 62.0 478 4917 0.286 15.7 1.3095 4.80 40 4090 13.1 0.1327 47.3 373 13433 0.369 17.1 1.3149 4.78 48 6624 19.9 0.1369 45.9 416 12301 0.382 17.5 1.3180 4.77 48 6493 30.1 0.1602 39.2 329 9248 0.370 26.0 1.3225 4.75 48 6408 30.7 0.1595 39.4 280 8302 0.369 29.6 1.3225 4.75 51 4095

Octa-ALP (6c) on CaCl2 (10 mM)

1,4 0,10218 61,5 315 5368 0,348 19,7 1,3100 4,80 52 5919 10,3 0,11312 55,5 375 6532 0,356 19,5 1,3122 4,79 48 7711 17,2 0,12883 48,8 400 11009 0,353 19,3 1,3159 4,77 53 8846 30,2 0,14513 43,3 417 14040 0,350 21,1 1,3178 4,77 47 7336 34,7 0,16154 38,9 375 10416 0,366 28,1 1,3189 4,76 53 4378 33,2 0,1593 39,4 321 9032 0,375 27,4 1,3221 4,75 39 3139

a

The spacing corresponding to q

xy

, d=2π/q

xy

.

^b

The coherence length of the ordered domain along the spacing

direction, L

xy

=0.9×2π / FWHM

xy

where the FWHM

xy

is the full width at half maximum of the Bragg peak at q

xyc

The maximum intensity of the Bragg peak.

^d

q

z

, and h

z

, the Bragg rod position maxima, and height respectively.

The height is estimated according to h

z

=0.9×2π / FWHM

z

where the FWHM

z

is that of the Bragg rod. The full

I(q

z

) patterns of the Bragg rod data are provided in Figures 4a and in S3.

^e

The q

z

, and h

z

values of the (2,0) where

not extracted due to the relatively low intensity of these Bragg rods.

^f

The compressibility of the crystalline lattice

along (0,1) is estimated with the equation C

c

=dInd

(0,1)

/dπ; for hexa-ALP based on the first two data points in the

table C

c

=[(In 45.6-In 52.0)-(10-0.5)]

^.

[1000 mN/1N]=13.8 m/N. The compressibility of octa-ALP, 12 m/N was

evaluated based on a linear fit to Ind

(0,1)

versus π where the compressibility equals the slope of this line

(Figure 2.9, Chapter 2).

^g

This data point is unusual as it shows an increase in surface pressure with an increase

in d(0,1). This behavior is attributed to film relaxation.

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Appendix 1: GIXD DATA

164 Table 2. GIXD data of 2S,4S Azp Gramicidin S (Chapter 6).

2S,4S Azp Gramicidin S (1) on NaCl (0.14 mM)

N qxy qxy calc. h k d d* d* calc int FWHMxy L FWHMz H Å^-1 Å^-1 Å a.u. Å Å Å a. u. Å^-1 Å Å^-1 Å 1 0.35356 0.353115 0 1 17.77124 0.056271 0.0562 8805.5 0.009303 607.86 0.45 12.57 2 0.42086 0.445665 1 1 14.92943 0.066982 0.07093 10385 0.008731 647.66 0.47 12.03 3 0.55002 0.563501 2 0 11.42358 0.087538 0.089684 4340.6 0.009586 589.91

4 0.70552 0.718516 2 1 8.905772 0.112287 0.114355 3146.5 0.010496 538.77 5 0.85986 0.845252 3 0 7.307236 0.136851 0.134526 2721.1 0.008165 692.61 6 1.1002 1.073382 2 3 5.710962 0.175102 0.170834 5190.1 0.00879 643.37 7 1.3526 1.336996 3 3 4.645276 0.215272 0.212789 32879 0.007532 750.75 0.54 10.47