From: Protein adsorption through Chitosan–Alginate membranes for potential applications
Bond number | Bond type | Bond length [Ă…] | Difference [Ă…] |
---|---|---|---|
Configuration 1 | |||
 Cellulose | |||
  Bond 1 | C–O | 1.4102 | 0.0117 |
C–O | 1.5271 | 0.0002 | |
  Bond 2 | C–O | 1.4107 | 0.0000 |
C–H | 1.1149 | 0.0000 | |
C–C | 1.5364 | 0.0204 | |
  Bond 3 | C–O | 1.4110 | 0.0124 |
C–C | 1.5380 | 0.0106 | |
C–C | 1.5370 | 0.0006 | |
 Alginate/Chitosan | |||
  Bond 1 | C=C | 1.3300 | 0.0252 |
C–O | 1.3300 | 0.0177 | |
C–O | 1.3297 | 0.0083 | |
  Bond 2 | O–H | 1.1160 | 0.0111 |
–C | 1.3299 | 0.0092 | |
  Bond 3 | C–O | 1.3300 | 0.0052 |
C–H | 0.9748 | 0.3035 | |
C=C | 1.3297 | 0.0102 | |
C=C | 1.3299 | 0.0097 | |
Configuration 2 | |||
 Cellulose | |||
  Bond 1 | C–O | 1.4110 | 0.0003 |
C–C | 1.5380 | 0.0001 | |
C–C | 1.5366 | 0.0020 | |
  Bond Ca 1 | H–C | 1.1152 | 0.0000 |
  Bond Ca 2 | H–C | 1.1152 | 0.0000 |
  Bond Ca 3 | O–C | 1.4316 | 0.0038 |
O–C | 1.4043 | 0.0136 | |
Alginate/Chitosan | |||
 Bond 1 | O–H–C | 1.1168 | 0.0001 |