Publications

 

2024

[48] Sharma S., Belluati A.,  Kumar M., Dhiman S.
Enzymatic Reaction Network-driven Polymerization-induced Transient Coacervation.
Angew. Chem. Int. Ed. 2024. DOI: 10.1002/anie.202421620.

[47] Sharma S., Kumar M., Erlenbusch J., Sakhuja A., George S. J., Dhiman S.
Non-equilibrium Spatiotemporal Patterns of Charge-transfer Supramolecular Assembly.
ChemRxiv 2024. DOI: 10.26434/chemrxiv-2024-r3l1b.

[46] Ritzert, P.; Striegel, A.; von Klitzing, R.
Ion-specific Stability of Gold Nanoparticle Suspensions.
arXiv 2024, arXiv:2409.02762. DOI: 10.48550/arXiv.2409.02762.

[45] Changiarath, A.; Flores-Solis, D.; Michels, J. J.; Rodriguez, R. H.; Hanson, S. M.; Schmid, F.; Zweckstetter, M.; Padeken, J.; Stelzl, L. S.
Promoter and Gene-Body RNA-Polymerase II co-exist in partial demixed condensates.
bioRxiv 2024, 2024.2003.2016.585180. DOI: 10.1101/2024.03.16.585180.

[44] Sharma S., Belluati A., Kumar M., Dhiman S.
Enzymatic Reaction Network-Driven Polymerization-Induced Transient Coacervation.
Angew. Chem. Int. Ed. 2024, accepted for publication. DOI: 10.1002/anie.202421620.
ChemRxiv 2024, DOI: 10.26434/chemrxiv-2024-nk3dk.

[43] Bauer, D. J.; Nikoubashman, A.
The Conformations of Protein Chains at the Interface of Biomolecular Condensates,
Nat. Commun. 2024. DOI: 10.1038/s41467-024-53575-w.

[42] Duijs, H.; Kumar, M.; Dhiman, S.; Su, L.
Harnessing Competitive Interactions to Regulate Supramolecular “Micelle-Droplet-Fiber” Transition and Reversibility in Water.
J. Am. Chem. Soc. 2024, 146 (43), 29759-29766. DOI: 10.1021/jacs.4c11285.

[41] Li, Z.; Thomas, M.; Berač, C. M.; Stach, O. S.; Besenius, P.; Matson, J. B.
Regulating H₂S Release from Self-Assembled Peptide H₂S-Donor Conjugates Using Cysteine Derivatives.
Org. Biomol. Chem. 2024, 22 (40), 8173-8181. DOI: 10.1039/d4ob01148a.

[40] Cai, Z.; Badr, R.; Hauer, L.; Chaudhuri, K.; Skabeev, A.; Schmid, F.; Pham, J. T.
Phase Separation Dynamics in Wetting Ridges of Polymer Surfaces Swollen with Oils of Different Viscosities.
Soft Matter 2024, 20 (36), 7300-7312. DOI: 10.1039/D4SM00576G.

[39] Höltkemeier, L.; Janke, W.; Speck, T.; Bechstein, R.; Kühnle, A.
Nonequilibrium Structures of C60 on CaF₂(111): Exploring Structural Variability by Different Sample Preparation Pathways.
J. Phys. Chem. C 2024, 128 (36), 15208-15215. DOI: 10.1021/acs.jpcc.4c04621.

[38] Hielscher, M. M.; Schneider, J.; Lohmann, A. H. J.; Waldvogel, S. R.
Automated Optimization of the Synthesis of Alkyl Arenesulfonates in an Undivided Electrochemical Flow Cell.
ChemElectroChem 2024, 11 (18), e202400360. DOI: 10.1002/celc.202400360.

[37] Linder, T. G.; Heinzelmann, A.; Kamphus, J.; Seiffert, S.
Influence of the Crosslinker Hydrophobicity on the Swelling Kinetics of Poly(Acrylic Acid) Microgels.
Macromol. Chem. Phys. 2024, 225 (18), 2400138. DOI: 10.1002/macp.202400138.

[36] Kolmangadi, M. A.; Wani, Y. M.; Schönhals, A.; Nikoubashman, A.
Coarse-Grained Simulations of Columnar Ionic Liquid Crystals: Comparison with Experiments.
J. Phys. Chem. B 2024, 128 (34), 8215-8222. DOI: 10.1021/acs.jpcb.4c03041.

[35] Hauer, L.; Naga, A.; Badr, R. G. M.; Pham, J. T.; Wong, W. S. Y.; Vollmer, D.
Wetting on silicone surfaces.
Soft Matter 2024, 20 (27), 5273-5295. DOI: 10.1039/D4SM00346B.

[34] Obenauer, M. L.; Dresel, J. A.; Schweitzer, M.; Besenius, P.; Schmid, F.
Atomistic Molecular Dynamics Simulations of ABA-Type Polymer Peptide Conjugates: Insights into Supramolecular Structures and their Circular Dichroism Spectra.
Macromol. Rapid Commun. 2024, 45 (16), 2400149. DOI: 10.1002/marc.202400149.

[33] Badr, R. G. M.; Hauer, L.; Vollmer, D.; Schmid, F.
Dynamics of Droplets Moving on Lubricated Polymer Brushes.
Langmuir 2024, 40 (24), 12368-12380. DOI: 10.1021/acs.langmuir.4c00400.
arXiv 2024, DOI: 10.48550/arXiv.2403.09189.

[32] Mast, F.; Hielscher, M. M.; Wirtanen, T.; Erichsen, M.; Gauss, J.; Diezemann, G.; Waldvogel, S. R.
Choice of the Right Supporting Electrolyte in Electrochemical Reductions: A Principal Component Analysis.
J. Am. Chem. Soc. 2024, 146 (22), 15119-15129. DOI: 10.1021/jacs.4c00910.

[31] Vishnu, J. A.; Linder, T.; Seiffert, S.; Schmid, F.
Structure and Dynamic Evolution of Interfaces between Polymer Solutions and Gels and Polymer Interdiffusion: A Molecular Dynamics Study.
Macromolecules 2024, 57 (11), 5545-5559. DOI: 10.1021/acs.macromol.4c00459.

[30] Wani, Y.; Kovakas, P. G.; Nikoubashman, A.; Howard, M. P.
Mesoscale simulations of diffusion and sedimentation in shape-anisotropic nanoparticle suspensions.
Soft Matter 2024, 20 (19), 3942-3953. DOI: 10.1039/D4SM00271G

[29] Kumar, M.; Hanssen, J. N. S.; Dhiman, S.
Unveiling the Liquid-Liquid Phase Separation of Benzene-1,3,5-Tricarboxamide in Water.
ChemSystemsChem 2024, 6 (4), e202400013. DOI: 10.1002/syst.202400013.

[28] Chloé Pascouau, C.; Schweitzer, M.; Besenius, P.
Supramolecular Assembly and Thermogelation Strategies using Peptide-Polymer Conjugates.
Biomacromolecules, 2024, 25 (5), 2659-2678. DOI: 10.1021/acs.biomac.4c00031.

[27] Yao, X.; Vishnu, J. A.; Lupfer, C.; Hoenders, D.; Skarsetz, O.; Chen, W.; Dattler, D.; Perrot, A.; Wang, W.-z.; Gao, C.; Giuseppone, N.; Schmid, F.; Walther, A.
Scalable Approach to Molecular Motor-Polymer Conjugates for Light-Driven Artificial Muscles.
Adv. Mater. 2024 2403514. DOI: 10.1002/adma.202403514.
ChemRxiv, 2024, DOI: 10.26434/chemrxiv-2024-6c2t0.

[26] Wang, Y.; Bimmermann, A. M.; Neufurth, M.; Besenius, P.
Cucurbit[8]uril Mediated Supramolecular and Photocrosslinked Interpenetrating Network Hydrogel Matrices for 3D-Bioprinting.
Adv. Mater. 2024, 2313270. DOI: 10.1002/adma.202313270.

[25] Obenauer, M. L.; Spauszus, K. N.; Besenius, P.; Schmid, F.
Project RACCOON: Automated construction of PDB files for polymers and polymer peptide conjugates.
J. Open Source Softw. 2024, 9 (95), 6293. DOI: 10.21105/joss.06293.

[24] Catalini, G.; García, N. A.; Vega, D. A.; Nikoubashman, A.
Simulations of Thin Polymer Films on Flat and Curved Substrates.
Macromolecules 2024, 57 (5), 2530-2538. DOI: 10.1021/acs.macromol.3c02582.

[23] Yetkin, M.; Wani, Y. M.; Kritika, K., Howard, M. P.; Kappl, M.; Butt, H.-J.; Nikoubashman, A.
Structure Formation in Supraparticles Composed of Spherical and Elongated Particles.
Langmuir 2024 40 (1), 1096-1108. DOI: 10.1021/acs.langmuir.3c03410.

2023

[22] Sourpis, A. I.; Forero-Martinez, N. C.; Schmid, F. The Effect of Electric Fields on the Structure of Water/Acetonitrile Mixtures.
J. Electrochem. Soc. 2023 170, 083508.
DOI: 10.1149/1945-7111/acef61.

[21] Yokoyama, T.; Kobayashi, Y.; Arai, N.; Nikoubashman, A.
Aggregation of Amphiphilic Nanocubes in Equilibrium and Under Shear.
Soft Matter 2023 19, 6480. DOI: 10.1039/D3SM00671A.

[20] Schmelter, C.; Fomo, K. N.; Brueck, A.; Perumal, N.; Markowitsch, S. D.; Govind, G.; Speck, T.; Pfeiffer, N.; Grus, F. H.
Glaucoma-Associated CDR1 Peptide Promotes RGC Survival in Retinal Explants through Molecular Interaction with Acidic Leucine Rich Nuclear Phosphoprotein 32A (ANP32A).
Biomolecules 2023 13 (7), 1161. DOI: 10.3390/biom13071161.

[19] Thomas, M.; Lewe, V.; Kölsch, J.; Urschbach, M.; Erlenbusch, J.; Stach, O. S.; Besenius, P.
Impact of Sample History and Solvent Effects on Pathway Control in the Supramolecular Polymerization of Au(I)-Metallopeptide Amphiphiles.
Polym. Chem.2023 14 (16), 1888-1892. DOI: 10.1039/D3PY00053B.

[18] Hirschmann, M.; Soltwedel, O.; Ritzert, P.; von Klitzing, R.; Thiele, C. M.
Light-Controlled Lyotropic Liquid Crystallinity of Polyaspartates Exploited as Photo-Switchable Alignment Medium.
J. Am. Chem. Soc. 2023 145 (6), 3615-3623. DOI: 10.1021/jacs.2c12760.

[17] Picard, J. A. K. L.; Speck, T.
Inverse Condensation of Adsorbed Molecules with Two Conformations.
J. Chem. Phys. 2023 158, 034701. DOI: 10.1063/5.0133965.

[16] Scott, D. M.; Nikoubashman, A.; Register, R. A.; Priestley, R. D.; Prud’homme, R. K.
Rapid Precipitation of Ionomers for Stabilization of Polymeric Colloids.
Langmuir 2023 39, 570-578. DOI: 10.1021/acs.langmuir.2c02850.

2022

[15] Bauer, D. J.; Stelzl, L. S.; Nikoubashman, A.
Single-Chain and Condensed-State Behavior of hnRNPA1 from Molecular Simulations.
J. Chem. Phys. 2022 157, 154903. DOI: 10.1063/5.0105540.

[14] Fomo, K. N.; Schmelter, C.; Atta, J.; Beutgen, V. M.; Schwarz, R.; Perumal, N.; Govind, G.; Speck, T.; Pfeiffer, N.; Grus, F. H.
Synthetic Antibody-Derived Immunopeptide Provides Neuroprotection in Glaucoma through Molecular Interaction with Retinal Protein Histone H3.1.
Front. Med. 2022 9, 993351. DOI: 10.3389/fmed.2022.993351.

[13] Kölsch, J. C.; Berač, C. M.; Lossada, F.; Stach, O. S.; Seiffert, S.; Walther, A.; Besenius, P.
Recyclable Vitrimers from Biogenic Poly(itaconate) Elastomers.
Macromolecules 2022 55 (18), 8032-8039. DOI: 10.1021/acs.macromol.2c00825.

[12] Badr, R. G. M.; Hauer, L.; Vollmer, D.; Schmid, F.
Cloaking transition of droplets on lubricated brushes.
J. Phys. Chem. B 2022 B 126 (36), 7047-7058. DOI: 10.1021/acs.jpcb.2c04640.

[11] Kobayashi, Y.; Nikoubashman, A.
Self-Assembly of Amphiphilic Cubes in Suspension.
Langmuir 2022 38, 10642-10648. DOI: 10.1021/acs.langmuir.2c01614.

[10] Appeldorn, J. H.; Lemcke, S.; Speck, T.; Nikoubashman, A.
Employing Artificial Neural Networks to Identify Reaction Coordinates and Pathways for Self-Assembly.
J. Phys. Chem. B 2022 126, 5007-5016. DOI: 10.1021/acs.jpcb.2c02232.

[9] Chakraborty, S.; Berač, C. M.; Urschbach, M.; Spitzer, D.; Mezger, M.; Besenius, P.; Speck, T.
Predicting the Supramolecular Assembly of Amphiphilic Peptides from Comprehensive Coarse-Grained Simulations.
ACS Appl. Polym. Mater. 2022 4, 822-831. DOI: 10.1021/acsapm.1c01208.

[8] Wani, Y. M.; Kovakas, P. G.; Nikoubashman, A.; Howard, M. P.
Diffusion and sedimentation in colloidal suspensions using multiparticle collision dynamics with a discrete particle model.
J. Chem. Phys. 2022 156, 024901. DOI: 10.1063/5.0075002.

[7] Stach, O. S.; Breul, K.; Berač, C. M.; Urschbach, M.; Seiffert, S.; Besenius, P.
Bridging Rigidity and Flexibility: Modulation of Supramolecular Hydrogels by Metal Complexation.
Macromol. Rapid Commun. 2022 43 (12), 2100473. DOI: 10.1002/marc.202100473.

2021

[6] Hielscher, M. M.; Oehl, E. K.; Gleede, B.; Buchholz, J.; Waldvogel, S. R.
Optimization Strategies for the Anodic Phenol-Arene Cross-Coupling Reaction.
ChemElectroChem 2021 8, 3904–3910. 10.1002/celc.202101226.

[5] Dörr, M.; Hielscher, M. M.; Proppe, J.; Waldvogel, S. R.
Electrosynthetic Screening and Modern Optimization Strategies for Electrosynthesis of Highly Value-added Products.
ChemElectroChem. 2021 8, 2621–2629. DOI: 10.1002/celc.202100318.

[4] Aeschlimann, S.; Lyu, L.; Becker, S.; Mousavion, S.; Speck, T.; Elmers, H.-J.; Stadtmüller, B.; Aeschlimann, M.; Bechstein, R.; Kühnle, A.
Mobilization upon Cooling.
Angew. Chem. Int. Ed. 2021, 60 (35), 19117-19122. DOI: 10.1002/anie.202105100.

2020

[3] Howard, M. P.; Nikoubashman, A.
Stratification of Polymer Mixtures in Drying Droplets: Hydrodynamics and Diffusion.
J. Chem. Phys. 2020 153, 054901. DOI: 10.1063/5.0014429.

2019

[2] Liu, W.; Midya, J.; Kappl, M.; Butt, H.-J.; Nikoubashman, A.
Segregation in Drying Binary Colloidal Droplets.
ACS Nano 2019, 13 (5), 4972-4979. DOI: 10.1021/acsnano.9b00459.

[1] Chakraborty, S.; Berač, C. M.; Kemper, B.; Besenius, P.; Speck, T.
Modeling Supramolecular Polymerization: The Role of Steric Effects and Hydrophobic Interactions.
Macromolecules 2019, 52 (20), 7661-7667. DOI: 10.1021/acs.macromol.9b01435.