Cross-linked polysaccharide assemblies in marine gels: An atomistic simulation

Journal of Physical Chemistry Letters

Volumn 4, Issue 16, 2013, Pages 2637-2642

  Li, Xin ^a   Leck, Caroline ^b   Sun, Lu ^a   Hede, Thomas ^b   Tu, Yaoquan ^a   Ågren, Hans ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

dissolved organic carbon; molecular dynamics; polymeric gels; polysaccharides

Indexed keywords

ANIONIC POLYSACCHARIDES; CHARACTERIZATION TECHNIQUES; CLOUD CONDENSATION NUCLEI; CLOUD DROPLET ACTIVATION; DISSOLVED ORGANIC CARBON; MOLECULAR DYNAMICS SIMULATIONS; PHYSICOCHEMICAL PROPERTY; POLYMERIC GELS;

CALCIUM; METAL IONS; MOLECULAR DYNAMICS; POLYMERS; POLYSACCHARIDES;

GELS;

EID: 84882367051     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz401276r     Document Type: Article

References (36)

1. Solomon, S.; Qin, D.; Manning, M.; Chen, Z.; Marquis, M.; Averyt, K. B.; Tignor, M.; Miller, H. L., Eds. Climate Change 2007: The Physical Science Basis, Contribution of Working Group I to the Fourth Assessment Report of the Intergovernmental Panel on Climate Change; Cambridge University Press: Cambridge, U.K./New York, 2007.
2. Verdugo, P. Marine Microgels Annu. Rev. Mar. Sci. 2012, 4, 375-400
3. Orellana, M. V.; Matrai, P. A.; Leck, C.; Rauschenberg, C. D.; Lee, A. M.; Coz, E. Marine Microgels as a Source of Cloud Condensation Nuclei in the High Arctic Proc. Natl. Acad. Sci. U.S.A. 2011, 108, 13612-13617
4. Bigg, E. K. Comparison of Aerosol at Four Baseline Atmospheric Monitoring Stations J. Appl. Meteorol. 1980, 19, 521-533
5. Bigg, E. K. Sources, Nature and Influence on Climate of Marine Airborne Particles Environ. Chem. 2007, 4, 155-161
6. Bigg, E. K.; Leck, C. The Composition of Fragments of Bubbles Bursting at the Ocean Surface J. Geophys. Res. 2008, 113, D11209 10.1029/2007JD009078
7. Bigg, E. K.; Leck, C.; Tranvik, L. Particulates of the Surface Microlayer of Open Water in the Central Arctic Ocean in Summer Mar. Chem. 2004, 91, 131-141
8. Gras, J. L.; Ayers, G. P. Marine Aerosol at Southern Midlatitudes J. Geophys. Res. 1983, 88, 10661-10666
9. Leck, C.; Bigg, E. K. Aerosol Production over Remote Marine Areas-A New Route Geophys. Res. Lett. 1999, 23, 3577-3581
10. Leck, C.; Bigg, E. K. Biogenic Particles in the Surface Microlayer and Overlaying Atmosphere in the Central Arctic Ocean during Summer Tellus 2005, 57B, 305-316
11. Leck, C.; Bigg, E. K. Comparison of Sources and Nature of the Tropical Aerosol with the Summer High Arctic Aerosol Tellus 2008, 60B, 118-126
12. Leck, C.; Bigg, E. K. New Particle Formation of Marine Biological Origin Aerosol Sci. Technol. 2010, 44, 570-577
13. Leck, C.; Norman, M.; Bigg, E. K.; Hillamo, R. Chemical Composition and Sources of the High Arctic Aerosol Relevant for Cloud Formation J. Geophys. Res. 2002, 107, 4135 10.1029/2001JD001463
14. Posfai, M.; Simonics, R.; Li, J.; Hobbs, P. V.; Buseck, P. R. Individual Aerosol Particles from Biomass Burning in Southern Africa: 1. Compositions and Size Distributions of Carbonaceous Particles J. Geophys. Res. 2003, 108, 8483 10.1029/2002JD002291
15. Kuznetsova, M.; Lee, C.; Aller, J. Characterization of the Proteinaceous Matter in Marine Aerosols Mar. Chem. 2005, 96, 359-377
16. Hawkins, L. N.; Russell, L. M. Adv. Meteorology 2010, 2010, 612132 10.1155/2010/612132
17. Russell, L. M.; Hawkins, L. N.; Frossard, A. A.; Quinn, P. K.; Bates, T. S. Carbohydrate Like Composition of Submicron Atmospheric Particles and Their Production from Ocean Bubble Bursting Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 6652-6657
18. Facchini, M. C.; Rinaldi, M.; Decesari, S.; Carbone, C.; Finessi, E.; Mircea, M.; Fuzzi, S.; Ceburnis, D.; Flanagan, R.; Nilsson, E. D. Primary Submicron Marine Aerosol Dominated by Insoluble Organic Colloids and Aggregates Geophys. Res. Lett. 2008, 35, L17814 10.1029/2008GL034210
19. Santschi, P. H.; Balnois, E.; Wilkinson, K. J.; Zhang, J.; Buffle, J.; Guo, L. Fibril Polysaccharides in Marine Macromolecular Organic Matter as Imaged by Atomic Force Microscopy and Transmission Electron Microscopy Limnol. Oceanogr. 1998, 43, 896-908
20. Decho, A. W. Microbial Exopolymer Secretions in Ocean Environments: Their Role(s) in Food Webs and Marine Processes Oceanogr. Mar. Biol. Ann. Rev. 1990, 28, 73-153
21. Majumdar, I.; DeSouza, F. P.; Bhosle, N. B. Microbial Exopolysaccharides: Effect on Corrosion and Partial Chemical Characterization J. Indian Inst. Sci. 1999, 79, 539-550
22. Smidsrød, O. Molecular Basis for Some Physical Properties of Alginates in the Gel State Faraday Discuss. Chem. Soc. 1974, 57, 263-274
23. Bhaskar, P. V.; Bhosle, N. B. Microbial Extracellular Polymeric Substances in Marine Biogeochemical Processes Curr. Sci. 2005, 88, 45-53
24. Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008, 4, 435-447
25. Bilan, M. I.; Vinogradova, E. V.; Tsvetkova, E. A.; Grachev, A. A.; Shashkov, A. S.; Nifantiev, N. E.; Usov, A. I. A Sulfated Glucuronofucan Containing both Fucofuranose and Fucopyranose Residues from the Brown Alga Chordaria Flagelliformis Carbohydr. Res. 2008, 343, 2605-2612
26. Zhou, J.; Mopper, K.; Passow, U. The Role of Surface-Active Carbohydrates in the Formation of Transparent Exopolymer Particles by Bubble Adsorption of Seawater Limnol. Oceanogr. 1998, 43, 1860-1871
27. Gao, Q.; Leck, C.; Rauschenberg, C.; Matrai, P. A. On the Chemical Dynamics of Extracellular Polysaccharides in the High Arctic Surface Microlayer Ocean Sci. 2012, 8, 401-418
28. Leck, C.; Gao, Q.; Mashayekhy Rad, F.; Nilsson, U. Size Resolved Airborne Particulate Polysaccharides in Summer High Arctic Atmos. Chem. Phys. Discuss. 2013, 13, 9801-9847
29. Edwards, S. F. The Dynamics of Polymer Networks J. Phys. A 1974, 7, 318-327
30. Verdugo, P.; Alldredge, A. L.; Azam, F.; Kirchman, D. L.; Passow, U.; Santschi, P. H. The Oceanic Gel Phase: A Bridge in the DOM-POM Continuum Mar. Chem. 2004, 92, 67-85
31. Azam, F.; Malfatti, F. Microbial Structuring of Marine Ecosystems Nat. Rev. Microbiol. 2007, 5, 782-791
32. Kirschner, K. N.; Yongye, A. B.; Tschampel, S. M.; Daniels, C. R.; Foley, B. L.; Woods, R. J. GLYCAM06: A Generalizable Biomolecular Force Field. Carbohydrates J. Comput. Chem. 2008, 29, 622-655
33. Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M., Jr.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules J. Am. Chem. Soc. 1995, 117, 5179-5197
34. Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of Simple Potential Functions for Simulating Liquid Water J. Chem. Phys. 1983, 79, 926-935
35. Holvik, H.; Høiland, H. Acidity Constants of Galacturonic and Glucuronic Acids in Water at 298.15 K from Conductance and E.M.F. Measurements J. Chem. Thermodyn. 1977, 9, 345-348
36. Nadykto, A. B.; Al Natsheh, A.; Yu, F.; Mikkelsen, K. V.; Ruuskanen, J. Effect of Molecular Structure and Hydration on the Uptake of Gas-Phase Sulfuric Acid by Charged Clusters/Ultrafine Particles Aerosol Sci. Technol. 2004, 38, 349-353