SOM-AGING

 

dfg_gross Physicochemical Aging Mechanisms in Soil Organic Matter and hydration-dehydration mechanisms at Biogeochemical Interfaces - SOM-AGING I & II
DFG: SCHA 849/8-1 & 8-2

DFG Priority Program SPP 1315   "Biogeochemical Interfaces in Soil"

 

Summary Phase II

For summary of phase I see end of this page

Soil organic matter (SOM) controls large part of the processes occurring at biogeochemical interfaces in soil and may contribute to sequestration of organic chemicals. Our central hypothesis is that sequestration of organic chemicals is driven by physicochemical SOM matrix aging. The underlying processes are the formation and disruption of intermolecular bridges of water molecules (WAMB) and of multivalent cations (CAB) between individual SOM segments or between SOM and minerals in close interaction with hydration and dehydration mechanisms. Understanding the role of these mediated interactions will shed new light on the processes controlling functioning and dynamics of biogeochemical interfaces (BGI).
We will assess mobility of SOM structural elements and sorbed organic chemicals via advanced solid state NMR techniques and desorption kinetics and combine these with 1H-NMR-Relaxometry and advanced methods of thermal analysis including DSC, TGA-DSC-MS and AFM-nanothermal analysis. Via controlled heating/cooling cycles, moistening/drying cycles and targeted modification of SOM, reconstruction of our model hypotheses by computational chemistry (collaboration Gerzabek) and participation at two larger joint experiments within the SPP, we will establish the relation between SOM sequestration potential, SOM structural characteristics, hydration-dehydration mechanisms, biological activity and biogechemical functioning. This will link processes operative on the molecular scale to phenomena on higher scales.

Deutsche Zusammenfassung: ganz unten

Projektleitung

Prof. Dr. Gabriele E. Schaumann (Project leader)
Dr. Marko Bertmer, University Leipzig (Co-Applicant)

Mitarbeiter/Staff

Pavel Ondruch (Scientific Assistant)
Yamuna Kunhi Mouvenchery (Scientific Assistant)
Jette Schwarz (Scientific Assistant)
Alexander Jäger (Scientific Assistant)
Student Assistants

Publikations

with peer-review

2017

35. Ondruch, Pavel, Jäger, Alexander, Kucerík, Jirí, Bertmer, Marko, Schaumann, Gabriele Ellen 2017. Influence of organic chemicals on aliphatic crystallites analyzed in whole soils. Geoderma. 291 40-46. Download

34. Ondruch, Pavel, Kucerík, Jirí, Steinmetz, Zacharias, Schaumann, Gabriele Ellen 2017. Influence of organic chemicals on water molecule bridges in soil organic matter of a sapric histosol. J. Phys. Chem. A. Download

2016

33. Kunhi Mouvenchery, Yamuna, Miltner, Anja, Schurig, Christian, Kästner, Matthias, Schaumann, Gabriele Ellen 2016. Linking atomic force microscopy with nanothermal analysis to assess microspatial distribution of material characteristics in young soils. Journal of Plant Nutrition and Soil Science. 179 48-59. Download

32. Degrendele, Celine, Audy, Ondrej, Hofman, Jakub, Kucerik, Jiri, Kukucka, Petr, Mulder, Marie, Pribylova, Petra, Prokes, Roman, Sanka, Milan, Schaumann, Gabriele Ellen, Lammel, Gerhard 2016. Diurnal Variations of Air-Soil Exchange of Semivolatile Organic Compounds (PAHs, PCBs, OCPs, and PBDEs) in a Central European Receptor Area. Environmental Science and Technology. 50 (8): 4278-4288. Download

31. Vojta, Danijela, Vrankic, Martina, Bertmer, Marko, Schaumann, Gabriele E. 2016. Dehydration of 945;-oxalic acid dihydrate: Structural, spectroscopic and thermal study with implications on the disruption of water molecular bridges in soil organic matter. Thermochimica Acta. 643 73-82. Download

30. Jaeger, Alexander, Bertmer, Marko, Schaumann, Gabriele Ellen 2016. The relation of structural mobility and water sorption of soil organic matter studied by 1H and 13C solid-state NMR. Geoderma. 284 144-151. Download

29. Pronk, Geertje J., Heister, Katja, Vogel, Cordula, Babin, Doreen, Bachmann, Joerg, Ding, Guo-Chun, Ditterich, Franziska, Gerzabek, Martin H., Giebler, Julia, Hemkemeyer, Michael, Kandeler, Ellen, Kunhi Mouvenchery, Yamuna, Miltner, Anja, Poll, Christian, Schaumann, Gabriele E., Smalla, Kornelia, Steinbach, Annelie, Tanuwidjaja, Irina, Tebbe, Christoph C., Wick, Lukas Y., Woche, Susanne K., Totsche, Kai U., Schloter, Michael, Kögel-Knabner, Ingrid 2016. Interaction of minerals, organic matter, and microorganisms during biogeochemical interface formation as shown by a series of artificial soil experiments. Biology and Fertility of Soils. 1-14. Download

28. Vojta, Danijela, Vrankic, Martina, Bertmer, Marko, Schaumann, Gabriele E. 2016. Dehydration of α-oxalic acid dihydrate: Structural, spectroscopic and thermal study with implications on the disruption of water molecular bridges in soil organic matter. Thermochimica Acta. 643 73-82. Download

2015

27. Schwarz, Jette, Knicker, H., Schaumann, Gabriele Ellen, Thiele-Bruhn, Sören 2015. Enzymatic Transformation and Bonding of Sulfonamide Antibiotics to Model Humic Substances. Journal of Chemistry. 2015 Article ID 829708. Download

26. Jaeger, Alexander, Schwarz, Jette, Kunhi Mouvenchery, Yamuna, Schaumann, Gabriele Ellen, Bertmer, Marko 2015. Physical long term regeneration dynamics of soil organic matter as followed by 1H solid-state NMR methods. Environmental Chemistry. 13 (1): 50-57. Download

2014

25. Shchegolikhina, Anastasia, Mouvenchery, Yamuna Kunhi, Woche, Susanne K., Bachmann, Jörg, Schaumann, Gabriele Ellen, Marschner, Bernd 2014. Cation treatment and drying-temperature eoeects on nonylphenol and phenanthrene sorption to a sandy soil. Journal of Plant Nutrition and Soil Science. 177 (2): 141-149. Download

24. Aquino, Adélia J. A., Tunega, Daniel, Schaumann, Gabriele Ellen, Haberhauer, Georg, Gerzabek, Martin H., Lischka, Hans 2014. Processes Initiated by the Aluminum Cation in Interactions with Polar Regions of Humic Substances: A Computational Study. Geoderma. 213 115-123. Download

23. Schaumann, Gabriele Ellen, Bertmer, Marko 2014. Soil-Water Interactions. Simpson, Myrna J.; Simpson, Andre J. NMR Spectroscopy: A Versatile Tool for Environmental Research. Chichester, UK: John Wiley Sons, Ltd.. 291-303. Download

22. Kucerík, Jirí, Schwarz, Jette, Jäger, Alexander, Bertmer, Marko, Schaumann, Gabriele Ellen 2014. Character of transitions causing the physicochemical aging of a sapric histosol. Journal of Thermal Analysis and Calorimetry. 10.1007/s10973-014-3971-4 Download

21. Diehl, Dörte, Schwarz, Jette, Göbel, Marc-Oliver, Woche, Susanne K., Schneckenburger, Tatjana, Krüger, Jaane, Shchegolikhina, Anastasia, Marschner, Bernd, Lang, Friederike, Thiele-Bruhn, Sören, Bachmann, Jörg, Schaumann, Gabriele Ellen 2014. Effect of multivalent cations, temperature, and aging on SOM thermal properties. Journal of Thermal Analysis and Calorimetry. 1-11. Download

20. Diehl, Dörte, Schneckenburger, Tatjana, Krüger, Jaane, Goebel, Marc-O., Woche, Susanne K., Schwarz, Jette, Shchegolikhina, Anastasia, Lang, Friederike, Marschner, Bernd, Thiele-Bruhn, Sören, Bachmann, Jörg, Schaumann, Gabriele Ellen 2014. Effect of multivalent cations, temperature, and ageing on SOM interfacial properties. Environmental Chemistry. 11 (6): 709-718. Download

19. Aquino, Adélia J. A., Tunega, Daniel, Schaumann, Gabriele Ellen, Haberhauer, Georg, Gerzabek, Martin H., Lischka, Hans 2014. Proton transfer processes in polar regions of humic substances initiated by aqueous aluminum cation bridges: A computational study. Geoderma. 213 115-123. Download

2013

18. Schaumann, Gabriele Ellen, Diehl, Dörte, Bertmer, Marko, Jaeger, Alexander, Conte, Pellegrino, Alonzo, G., Bachmann, Jörg 2013. Combined Proton NMR wideline and NMR Relaxometry to study SOM-water interactions of cation-treated soils. Journal of Hydrology and Hydromechanics. 61 (1): 50-63. Download

17. Göbel, Marc-Oliver, Woche, Susanne K., Abraham, Priya Mary, Schaumann, Gabriele Ellen, Bachmann, Jörg 2013. Role of grain water repellency in transport and retention of negatively charged hydrophilic colloids in saturated sand matrices. Colloids and Surfaces A. 431 150-160. Download

16. Kunhi Mouvenchery, Yamuna, Jaeger, Alexander, Aquino, Adélia J. A., Tunega, Daniel, Diehl, Dörte, Bertmer, Marko, Schaumann, Gabriele Ellen 2013. Restructuring of a peat in interaction with multivalent cations: Effect of cation type and aging time. PLOS One. 8 (6): e65359. Download

15. Schaumann, Gabriele Ellen, Gildemeister, Daniela, Kunhi Mouvenchery, Yamuna, Spielvogel, Sandra, Diehl, Dörte 2013. Interactions between cations and water molecule bridges in soil organic matter. Journal of Soils and Sediments. DOI: 10.1007/s11368-013-0746-7. Download

14. Goebel, M. O., Woche, S.K., Abraham, P.M., Schaumann, Gabriele Ellen, Bachmann, Jörg 2013. Water repellency enhances the deposition of negatively charged hydrophilic colloids in a water-saturated sand matrix. Colloids and Surfaces a-Physicochemical and Engineering Aspects. 431 150-160. Download

2012

13. Schneckenburger, Tatjana, Schaumann, Gabriele Ellen, Woche, Susanne K., Thiele-Bruhn, Sören 2012. Short-term evolution of hydration effects on soil organic matter properties and resulting implications for sorption of naphthalene- 2-ol. Journal of Soils and Sediments. 12 (8): 1269-1279. Download

12. Schaumann, Gabriele Ellen, Kunhi Mouvenchery, Yamuna 2012. Potential of AFM-Nanothermal Analysis to study the microscale thermal characteristics in soils and natural organic matter (NOM). Journal of Soils and Sediments. 12 (1): 48-62. Download

11. Schaumann, Gabriele Ellen, Kunhi Mouvenchery, Yamuna 2012. Erratum to: Potential of AFM-Nanothermal Analysis to study the microscale thermal characteristics in soils and natural organic matter (NOM). Journal of Soils and Sediments. 12 (1): 115. Download

10. Kunhi Mouvenchery, Yamuna, Kucerík, Jirí, Diehl, Doerte, Schaumann, Gabriele Ellen 2012. Cation-mediated cross-linking in natural organic matter - a review. Reviews in Environmental Science and Bio/technology. 11 (1): 41-54. Download

9. Schneckenburger, Tatjana, Lattao, Charisma V., Pignatello, Joseph J., Schaumann, Gabriele Ellen, Thiele-Bruhn, Sören, Cao, Xiaoyan, Mao, Jingdong 2012. Preparation and characterization of humic acid cross- linked with organic bridging groups. Organic Geochemistry. 47 (2012): 132-138. Download

8. Rieger, Martin, Schaumann, Gabriele Ellen, Kunhi Mouvenchery, Yamuna, Nießner, Reinhard, Seidel, Michael, Baumann, Thomas 2012. Development of Antibody-Labeled Superparamagnetic Nanoparticles for the Visualization of Benzo[a]pyrene in Porous Media with Magnetic Resonance Imaging. Journal of Analytical and Bioanalytical Chemistry. 403 (9): 2529-2540. Download

2011

7. Aquino, Adelia, Tunega, Daniel, Pasalic, Hasan, Schaumann, Gabriele Ellen, Haberhauer, Georg, Gerzabek, Martin H., Lischka, Hans 2011. Molecular dynamics simulations of water molecule- bridges in polar domains of humic acids. Environmental Science Technology. 45 (19): 8411-8419. Download

6. Aquino, Adélia J. A., Tunega, Daniel, Pasalic, Hasan, Schaumann, Gabriele Ellen, Haberhauer, Georg, Gerzabek, Martin H., Lischka, Hans 2011. Study of Solvent Effect on the Stability of Water Bridge- Linked Carboxyl Groups in Humic Acid Models. Geoderma. 169 20-26. Download

5. Jaeger, Alexander, Schaumann, Gabriele Ellen, Bertmer, Marko 2011. Optimized NMR spectroscopic strategy to characterize water dynamics in soil samples. Organic Geochemistry. 10.1016/j.orggeochem.2011.03.021. Download

4. Aquino, Adélia J. A., Tunega, Daniel, Schaumann, Gabriele Ellen, Haberhauer, Georg, Gerzabek, Martin H., Lischka, Hans 2011. The Functionality of Cation Bridges for Binding Polar Groups in Soil Aggregates. International Journal of Quantum Chemistry. 111 1531-1542. Download

3. Schaumann, Gabriele Ellen, Thiele-Bruhn, Soeren 2011. Molecular Modelling of Soil Organic Matter: Squaring the Circle?. Geoderma. 169 55-68. Download

2009

2. Aquino, Adélia J. A., Tunega, Daniel, Schaumann, Gabriele Ellen, Haberhauer, Georg, Gerzabek, Martin H., Lischka, Hans 2009. Stabilizing Capacity of Water Bridges in Nanopore Segments of Humic Substances: A Theoretical Investigation. Journal of Physical Chemistry C. 113 1646816475. Download

2008

1. Schaumann, Gabriele Ellen, Bertmer, Marko 2008. Do water molecules bridge soil organic matter molecule segments?. European Journal of Soil Science. 59 (3): 423-429. Download

Other publications

2014

13. Tunega, Daniel, Aquino, Adelia J., Haberhauer, Georg, Lischka, Hans, Schaumann, Gabriele Ellen, Gerzabek, Martin H. 2014. Molecular models of water and cations bridges in Humic Substances. Hartemink, A. E.; McSweeney, K. Soil Carbon, Progress in Soil Science. Springer International Publishing Switzerland. 107-115. Download

12. Kucerík, Jirí, Siewert, Christian, Quilesfogel-Esparza, Claudia, Schaumann, Gabriele Ellen 2014. Nature of water molecular bridging of the soil organic matter. Geophysical Research Abstracts. 16 EGU2014-3741.

11. Schaumann, Gabriele Ellen, Kunhi Mouvenchery, Yamuna, Miltner, Anja, Schurig, Christian, Kästner, Matthias 2014. AFM nanothermal analysis to distinguish material types in soil samples on the micrometer and upper nanometer scale. Geophysical Research Abstracts. 16 EGU2014-11635.

10. Schaumann, Gabriele Ellen 2014. Labile structures in organic matter under the incÆuence of water an issue for dynamic interfaces?. Geophysical Research Abstracts. 16 EGU2014-15378.

2013

9. Schaumann, Gabriele Ellen 2013. Labile structures in organic matter under the incfluence of multivalent cations an issue for dynamic interfaces?. Goldschmidt 2013 Conference Abstracts. Forence, Italy: Goldschmidt. 2149. Download

2011

8. Schaumann, Gabriele Ellen, Diehl, Doerte, Bertmer, Marko, Jäger, Alexander, Conte, Pellegrino, Alonzo, Giuseppe, Bachmann, Joerg 2011. Effect of cation loading of peat on low-field and high- field proton NMR characteristics. Geophysical Research Abstracts. 13 EGU2011-4469. Download

2010

7. Kögel-Knabner, Ingrid, Ding, Guo-Chun, Heister, Katja, Pronk, Geertje J., Schaumann, Gabriele Ellen, Schloter, Michael, Schulz, Stephan, Schwarz, Jette, Smalla, Kornelia 2010. Formation of biogeochemical interfaces in soils as controlled by mineral and organic components. 19th World Congress of Soil Science (WCSS). Brisbane: 74-77.

6. Schaumann, Gabriele Ellen, Diehl, Dörte, Schwarz, Jette, Bayer, Julia V., Bachmann, Jörg, Woche, Susanne K., Göbel, Marc-Oliver, Marschner, Bernd, Shchegolikhina, Anastasia, Lang, Friederike, Krüger, Jaane, Thiele-Bruhn, Sören, Schneckenburger, Tatjana 2010. Restructuring of biogeochemical interfaces: Role of cations and heat treatment. Gilkes, R.J.; Prakongkep, N. 19th World Congress of Soil Science (WCSS). Brisbane: IUSS. Symposium 2.2.1: Biogeochemical interfaces in soil 175-178.

5. Bertmer, Marko, Jäger, Alexander, Schwarz, Jette, Schaumann, Gabriele Ellen 2010. Optimized strategy of 1H and 13C solid-state NMR methods to investigate water dynamics in soil organic matter as well as the influence of crystallinity of poly(methylene) segments. Geophysical Research Abstracts. 12 EGU2010-8571. Download

4. Jäger, Alexander, Schwarz, Jette, Bertmer, Marko, Schaumann, Gabriele Ellen 2010. Soil organic matter dynamics as characterized with 1H and 13C solid-state NMR techniques. Geophysical Research Abstracts. 12 EGU2010-12962. Download

3. Schaumann, Gabriele Ellen, Conte, Pellegrino, Jäger, Alexander, Alonzo, Giuseppe, Bertmer, Marko 2010. Interactions between cations and peat organic matter monitored with NMR wideline, static and FFC NMR relaxometry. Geophysical Research Abstracts. 12 EGU2010-15007-1. Download

2009

2. Bertmer, Marko, Jaeger, Alex, Schwarz, Jette, Schaumann, Gabriele Ellen 2009. NMR spectrometry to study aging processes in soil organic matter. Geophysical Research Abstracts. 11 EGU2009-5928. Download

1. Schwarz, Jette, Jaeger, Alex, Bertmer, Marko, Schlichting, Andre, Leinweber, Peter, Schaumann, Gabriele Ellen 2009. Physicochemical aging mechanisms in soil organic matter assessed by NMR and DSC. Geophysical Research Abstracts. 11 EGU2009-3213-2. Download

Kooperationen

Prof. Dr. Martin Gerzabek, BOKU Wien
Dr. Daniel Tunega, BOKU Wien
Prof. Dr. Hans Lischka, Uni Wien
Dr. Adelia Aquino, Uni Wien
apl. Prof. Dr. Jörg Bachmann, Universität Hannover
Prof. Dr. Ingrid Kögel-Knabner, TU Weihenstephan
Prof. Dr. Sören Thiele-Bruhn, University Trier
Prof. Dr. Bernd Marschner, Ruhr Universität Bochum
PD Dr. Kai-Uwe Goss, UFZ Leipzig
PD Dr. Thomas Baumann, TU München

Summary Phase I

One of the most valuable ecological potentials of soil organic matter (SOM) is based on its highly dynamic nature enabling flexible reactions on a variety of environmental conditions. SOM controls large part of the processes occurring at biogeochemical interfaces in soil and may contribute to sequestration of organic chemicals. This project focuses on understanding of these dynamics in SOM from a new viewpoint regarding SOM as amorphous matrix. The dynamics addressed in this view are mainly based on "weak" intermolecular interactions rather than covalent binding.
Based on results of our recent studies, our central hypothesis is that physicochemical SOM matrix aging, driven by dynamics in intermolecular cross-linking via bridges of water molecules and multivalent cations, is responsible for sequestration of organic chemicals. We will therefore assess mobility of SOM structural elements and sorbed probe compounds via sophisticated solid state NMR techniques from macromolecular chemistry and combine these with Differential Scanning Calorimetry, 1H NMR Relaxometry and a modified inverse gas chromatography. This set of methods will link SOM matrix rigidity and swelling properties with the presence sequestered probe compounds. Via controlled heating/cooling cycles, drying/remoistening cycles and targeted modification of SOM by biofilm enrichment and coordinative cross-linking, we will establish the relation between SOM sequestration potential, SOM structural characteristics and environmental conditions leading to immobilization or unexpected release of contaminants in the field.

Deutsche Zusammenfassung: ganz unten

Projektleitung Phase I

Prof. Dr. Gabriele E. Schaumann (Project leader)
Dr. Marko Bertmer, University Leipzig (Co-Applicant)

Mitarbeiter/Staff Phase I

Jette Schwarz (Scientific Assistant)
Sabina Hens (Student Assistant)

Kooperationen Phase I

PD Dr. Kai-Uwe Goss, UFZ Leipzig
Dr. Ilja Shendrovich (FU Berlin)
Prof. Dr. Sören Thiele-Bruhn, University Trier
Prof. Dr. Klaus Fischer, Universität Trier
Prof. Dr. Bernd Marschner, Universiät Bonn
apl. Prof. Dr. Jörg Bachmann, Universität Hannover

 

Deutsche Zusammenfassung

Phase I

Die organische Bodensubstanz (OBS) reagiert extrem flexibel und dynamisch auf Umweltbedingungen. Dieses Potenzial ist von hoher ö kologischer Bedeutung, da die OBS Prozesse an biogeochemischen Grenzflächen entscheidend beeinflusst. Wir betrachten die OBS in diesem Projekt von einem neuen Blickwinkel als amorphe Matrix, in der eher "schwache" intermolekularen Wechselwirkungen als kovalente Bindungen von der Dynamik betroffen sind. Unsere zentrale Hypothese ist, dass die physikochemische Matrixalterung der OBS zum physikalischen Einschluss organischer Stoffe führt. Zentrale Elemente dieses Alterungsmechanismus sind Quervernetzungen durch Brücken von Wassermolekülen und durch mehrwertige Kationen. Wir untersuchen die Beweglichkeit von Strukturelementen der OBS und sorbierter Testchemikalien mit differenzierten Techniken der Festkörper NMR aus der makromolekularen Chemie und kombinieren diese mit der Differential Scanning Kalorimetrie, der 1H NMR Relaxometrie und einer Modifikation der inversen Gaschromatographie. Diese Methodenzusammenstellung verknüpft Matrixstarrheit und Quellungsvorgänge der OBS mit dem Vorhandensein physikalisch eingeschlossener Stoffe. Durch gezielte Heiz-Kühl- sowie Austrocknungs-Wiederbefeuchtungszyklen und die gezielte Veränderung der OBS durch koordinative Quervernetzungen und Anreicherung mit Biofilmen beleuchten wir die Beziehung zwischen dem Sequestrierungspotenzial, der Struktur der OBS und den Umweltbedingungen, die zu einer Immobilisierung oder unerwarteten Freisetzung von Schadstoffen im Feld führen können.

Phase II

Die organische Bodensubstanz (OBS) beeinflusst viele Prozesse an und in biogeochemischen Grenzflächen und kann zur Sequestrierung organischer Chmikalien beitragen. Unsere Hypothese ist, dass die physikochemische Matrixalterung mitverantwortlich für die Sequestrierung organischer Chemikalien ist. Zentrale Elemente dieses Alterungsmechanismus sind Quervernetzungen durch Brücken von Wassermolekülen (WAMB) und durch mehrwertige Kationen (CAB) in Kombination mit Hydratisierungs- und dehydratisierungsprozessen. Das Verständnis der Rolle dieser indirekten Wechselwirkungen wird dazu beitragen, die Prozesse zu verstehen, die die Funktion und Dynamik biogeochemischer Grenzflächen (BGI) bestimmen.

Wir untersuchen die Beweglichkeit von Strukturelementen der OBS und sorbierter Testchemikalien mit differenzierten Techniken der Festkörper NMR und mit Desorptionskinetiken und kombinieren diese mit der 1H NMR Relaxometrie und modernen thermoanalytischen Verfahren, insbesondere der Differential Scanning Kalorimetrie (DSC), Thermogravimetrie gekoppelt mit DSC und Massenspektrometrie (TGA-DSC-MS) und AFM-Nanothermoanalyse. Über definierte Heiz-Kühlzyklen, Befeuchtungs-Trocknungszyklen, gezielte Veränderungen in der organischen Substanz, die Rekonstruktion der Hypothesen mit Molekularer Modellierung (Kooperation Gerzabek) und die Teilnahme an zwei größeren gemeinsamen Experimenten im Schwerpunktprogramm werden wir die Zusammenhänge zwischen dem Sequestrierungspotenzial der OBS, strukturellen Eigenschaften der OBS, Hydratisierungs- und Dehydratisierungsmechanismen, biologischer Aktivität und biogeochemischen Zusammenspielen herstellen. Dadurch verbinden wir Prozesse auf der Molekülskala mit Phänomenen auf höheren Skalen.