Thinking in Terms of Structure-Activity-Relationships (T-SAR): A Tool to Better Understand Nanofiltration Membranes
Source abstract
Abstract
A frontier to be conquered in the field of membrane technology is related to the very limited scientific base for the rational and task-specific design of membranes. This is especially true for nanofiltration membranes with properties that are based on several solute-membrane interaction mechanisms. “Thinking in terms of Structure-Activity-Relationships” (T-SAR) is a methodology which applies a systematic analysis of a chemical entity based on its structural formula. However, the analysis become more complex with increasing size of the molecules considered. In this study, T-SAR was combined with classical membrane characterization methods, resulting in a new methodology which allowed us not only to explain membrane characteristics, but also provides evidence for the importance of the chemical structure for separation performance. We demonstrate an application of the combined approach and its potential to discover stereochemistry, molecular interaction potentials, and reactivity of two FilmTec nanofiltration membranes (NF-90 and NF-270). Based on these results, it was possible to predict both properties and performance in the recovery of hydrophobic ionic liquids from aqueous solution.
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Research context
OpenAlex topics: Membrane Separation Technologies · Membrane-based Ion Separation Techniques · Extraction and Separation Processes
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
UFT, Department of Chemical Engineering—Recovery and Recycling, University of Bremen, Bremen, 28359, Germany
UFT, Department of Sustainable Chemistry, University of Bremen, Bremen, 28359, Germany
CHEOPS Dienstleistungs-GmbH, Bremen, 28217, Germany
References (49)
Show source-provided references
1. Freemantle, M. (2010). An Introduction to Ionic Liquids, Royal Society of Chemistry. [1st ed.].10.1039/9781839168604 ↗
2. Applications of ionic liquids in the chemical industry10.1039/B006677J ↗
3. Regeneration, recovery and removal of ionic liquids10.2174/138527211795703676 ↗
4. Nanofiltration for the separation of non-volatile products from solutions containing ionic liquids10.1002/ceat.200301830 ↗
5. Jastorff, B., Störmann, R., and Wölcke, U. (2003). Struktur-Wirkungs-Denken in der Chemie—eine Chance für mehr Nachhaltigkeit, Universitätsverlag Aschenbeck und Isensee.
6. Thinking in structure-activity-relationships—A way forward towards sustainable chemistry10.1002/clen.200720018 ↗
7. How hazardous are ionic liquids? Structure-activity-relationships and biological testing as important elements for sustainability evaluation10.1039/b211971d ↗
8. Anion effects on the cytotoxicity of ionic liquids10.1039/b602161a ↗
9. Qualitative and quantitative structure-activity-relationships for the inhibitory effects of cationic head groups, functionalised side chains and anions of ionic liquids on acetylcholinesterase10.1039/B712109A ↗
10. Structure-activity-relationships of pyrithiones—IPC-81 toxicity tests with the antifouling biocide zinc pyrithione und structural analogs10.1039/B314753C ↗
11. Structure-activity-relationships for the impact of selected isothiazol-3-one biocides on glutathione metabolism and glutathione reductase of the human liver cell line Hep G210.1016/j.tox.2008.01.011 ↗
12. Strategy to improve the characterization of chitosan for sustainable biomedical applications: SAR guided multi-dimensional analysis10.1039/b809941c ↗
13. United Federation of Teachers—Universität Bremen The UFT/Merck Ionic Liquids Biological Effects Database. Available online: http://www.il-eco.uft.uni-bremen.de/ (accessed on 24 May 2011).
14. Dow FilmTec Membranes Basics of RO and NF: Membrane description. Available online: http://msdssearch.dow.com/PublishedLiteratureDOWCOM/dh_0042/0901b80380042dd8.pdf (accessed on 2 July 2011).
15. Cadotte, J.E. (1981). Reverse osmosis membrane. US Patent 4,259,183.
16. Cadotte, J.E. (1981). Interfacially synthesized reverse osmosis membrane. US Patent 4,277,344.
17. Williams, R. pKa Data. Available online: http://research.chem.psu.edu/brpgroup/pKa_compilation.pdf (accessed on 24 May 2011).
18. N,N′-(p-phenylene)dibenzamide10.1107/S0567740877011662 ↗
19. Graph-set and packing analysis of hydrogen-bonded networks in polyamide structures in the Cambridge Structural Database10.1107/S0108768100007230 ↗
20. N,N′-Dibenzoylpiperazine
21. Rates of conformational transitions in solutions of randomly coiled polymers. I. Nuclear magnetic resonance study of transitions in the backbone of polyamides10.1021/ma60008a009 ↗
22. Amide-imidol tautomerism in aromatic polyamides10.1007/BF00743341 ↗
23. Effect of membrane chemistry and coating layer on physicochemical properties of thin film composite polyamide RO and NF membranes. I. FTIR and XPS characterization of polyamide and coating layer chemistry10.1016/j.desal.2008.04.003 ↗
24. Effect of membrane chemistry and coating layer on physicochemical properties of thin film composite polyamide RO and NF membranes. II. Membrane physicochemical properties and their dependence on polyamide and coating layers10.1016/j.desal.2008.04.004 ↗
25. Rayne, S., Forest, K., and Friesen, K. Examining the PM6 semiempirical method for pKa prediction across a wide range of oxyacids. Available online: http://precedings.nature.com/documents/2981/version/1 (accessed on 24 May 2011).
26. SciFinder. Available online: http://scifinder.cas.org/ (accessed on 24 May 2011).
27. Characterisation of nanofiltration membranes using atomic force microscopy10.1016/j.desal.2004.12.008 ↗
28. Characterization of polymeric nanofiltration membranes for systematic analysis performance10.1016/j.memsci.2005.11.027 ↗
29. A comprehensive characterization of commercial nanofiltration membranes10.1080/01496390701560082 ↗
30. Composite reverse osmosis and nanofiltration membranes10.1016/0376-7388(93)80014-O ↗
31. Removal of natural hormones by nanofiltration membranes: Measurement, modelling, and mechanisms10.1021/es034952r ↗
32. Characterisation of nanofiltration membranes for predictive purposes—Use of salts, uncharged solutes and atomic force microscopy10.1016/S0376-7388(96)00276-1 ↗
33. Investigations on the structures and performances of a polypiperazine amide/polysulfone composite membrane10.1016/j.desal.2005.08.016 ↗
34. Physico-chemical interpretation of the SRNF transport mechanism for solutes through dense silicone membranes10.1016/j.memsci.2005.08.009 ↗
35. Surface characterization and performance evaluation of commercial fouling resistant low-pressure RO membranes10.1016/j.desal.2005.12.037 ↗
36. Nanofiltration of hormone mimicking trace organic contaminants10.1080/01496390500283340 ↗
37. Effects of membrane degradation on the removal of pharmaceutically active compounds (PhACs) by NF/RO filtration processes10.1016/j.memsci.2009.05.005 ↗
38. Nghiem, L.D. (2005). Removal of Emerging Trace Organic Contaminants by Nanofiltration and Reverse Osmosis. [Ph.D. Thesis, University of Wollongong].
39. Schäfer, A.I., Fane, A.G., and Walte, T.D. (2005). Nanofiltration: Principles and Applications, Elselvier Ltd.. [1st ed.].
40. Use of an ionic liquid in a two-phase system to improve an alcohol dehydrogenase catalysed reduction10.1039/b401065e ↗
41. Enzymatic ketone reductions with co-factor recycling: Improved reactions with ionic liquid co-solvents10.1016/j.molcatb.2008.01.006 ↗
42. Efficient whole-cell biotransformation in a biphasic ionic liquid/water system10.1002/anie.200460241 ↗
43. Water immiscible ionic liquids as solvents for whole cell biocatalysis10.1016/j.jbiotec.2005.12.004 ↗
44. Asymmetric whole cell biotransformations in biphasic ionic liquid/water systems by use of recombinant Escherichia coli with intracellular cofactor regeneration10.1016/j.tetasy.2007.08.003 ↗
45. Whole-cell biocatalysis: Evaluation of new hydrophobic ionic liquids for efficient asymmetric reduction of prochiral ketones10.1016/j.enzmictec.2009.06.015 ↗
46. Recycling of the ionic liquid phase in process integrated biphasic whole-cell biocatalysis10.1016/j.procbio.2011.01.032 ↗
47. In silico prediction of molecular volumes, heat capacities, and temperature-dependent densities of ionic liquids10.1021/ie801268a ↗
48. Temperature-dependent prediction of the liquid entropy of ionic liquids10.1002/cphc.201000614 ↗
49. Liphophilicity parameters for ionic liquid cations and their correlation to in vitro cytotoxicity10.1016/j.ecoenv.2006.08.008 ↗