Rational Design of Pathogen-Mimicking Amphiphilic Materials as Nanoadjuvants

Bret D. Ulerya,§, Latrisha K. Petersena,§, Yashdeep Phanseb, Chang Sun Kongc, Scott R. Broderickc, Devender Kumard, Amanda E. Ramer-Taitb, Brenda Carrillo-Condea, Krishna Rajanc, Michael J. Wannemuehlerb, Bryan H. Bellaireb, Dennis W. Metzgerd, and Balaji Narasimhana,*

a Department of Chemical and Biological Engineering, Iowa State University, Ames, IA 50011

b Department of Veterinary Microbiology and Preventive Medicine, Iowa State University, Ames, IA 50011

c Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011

d Center for Immunology and Microbial Disease, Albany Medical College, Albany, NY 12208

§ These authors contributed equally to this work.

* Corresponding author (B. Narasimhan), Department of Chemical and Biological Engineering, Iowa State University, Ames, IA 50011, USA. Tel.: +1 515 294 8019; fax: +1 515 294 9273; e-mail:

Supplementary Data Table 1. Values of the molecular descriptors (1-23) defined by Bicerano21and material property measurements described in Table 1 and used in Figure 5.

Poly(SA) / 20:80 CPH:SA / 50:50 CPH:SA / Poly (CPH) / 20:80 CPTEG:CPH / 50:50 CPTEG:CPH / Poly (CPTEG) / LPS
0χ / 1399 / 1273 / 1132 / 769 / 740 / 584 / 624 / 214
0χv / 1159 / 1049 / 871 / 612 / 587 / 458 / 486 / 163
1χ / 924 / 847 / 740 / 538 / 517 / 407 / 436 / 133
1χv / 738 / 665 / 539 / 372 / 354 / 273 / 284 / 100
N_C (polymer) / 1470 / 1352 / 1175 / 880 / 836 / 770 / 660 / 205
N_O (polymer) / 441.0 / 396.8 / 330.5 / 220.0 / 222.2 / 225.5 / 231.0 / 117.0
N_H (polymer) / 2352 / 2057.6 / 1616 / 880 / 836 / 770 / 660 / 366
MW / 16881 / 19052 / 15032 / 13309 / 11534 / 11334 / 10856 / 4900
N_ester (backbone) / 1.0 / 2.0 / 3.0 / 1.0 / 2.0 / 3.0 / 1.0 / 4.0
N_ether / 1.0 / 2.8 / 4.0 / 3.0 / 6.8 / 8.0 / 5.0 / 9.0
Nmv / 5.0 / 12.4 / 18.0 / 11.0 / 24.4 / 30.0 / 17.0 / 2.0
N_alkyl ether / 0.0 / 0.0 / 0.0 / 0.0 / 0.8 / 2.0 / 2.0 / 5.0
N_group / 9.0 / 13.0 / 13.0 / 9.0 / 11.8 / 11.0 / 7.0 / 14.0
N_rot / 11.0 / 11.5 / 12.0 / 13.0 / 13.5 / 14.0 / 15.0 / 111.0
N_dc / 31.0 / 67.6 / 76.0 / 45.0 / 95.6 / 104.0 / 59.0 / 285.0
N / 13.0 / 30.8 / 38.0 / 25.0 / 50.8 / 52.0 / 27.0 / 138.0
BB_index1 / 0.89 / 0.83 / 0.78 / 0.73 / 0.72 / 0.72 / 0.7 / 0.89
BB_index2 / 0.82 / 0.79 / 0.76 / 0.74 / 0.74 / 0.75 / 0.76 / 0.62
SG_index / 0 / 0 / 0 / 0 / 0 / 0 / 0 / 0.01
N_K / -3 / -8.4 / -12 / -9 / -20.4 / -24 / -15 / -27
N_SP / 11 / 13 / 15 / 19 / 19.5 / 20 / 21 / 34
N_aromatic ring / 0.0 / 0.5 / 1.0 / 2.0 / 2.0 / 2.0 / 2.0 / 0.0
N_CH2 / 8.0 / 7.5 / 7.0 / 6.0 / 6.0 / 6.0 / 6.0 / 68.0
% OH endgroup / 0.16 / 0.18 / 0.17 / 0.26 / 0.38 / 0.43 / 0.86 / 0.65
Tg (oC) / 62 / 50 / 11 / 46 / 18 / 8 / 9 / 10
Water contact angle (degrees) / 59 / 50 / 50 / 65 / 45 / 45 / 29 / 0