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SurfLab publications

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Bregnhøj, M., Golbek, T. W., Madzharova, F. & Weidner, T. (2024). De Novo Design and Characterization of Amphiphilic Peptides with Basic Side Chains for Tailored Interfacial Chemistries. Langmuir : the ACS journal of surfaces and colloids, 40(37), 19404-19411. https://doi.org/10.1021/acs.langmuir.4c01654

Fischer, S. A., Roeters, S. J., Meuzelaar, H., Woutersen, S., Weidner, T. & Pfaendtner, J. (2024). Estimation of vibrational spectra of Trp-cage protein from nonequilibrium metadynamics simulations. Biophysical Journal, 123(20), 3500-3506. https://doi.org/10.1016/j.bpj.2024.08.015

Madzharova, F., Chatterley, A. S., Roeters, S. J. & Weidner, T. (2024). Probing Backbone Coupling within Hydrated Proteins with Two-Color 2D Infrared Spectroscopy. The Journal of Physical Chemistry Letters, 15(18), 4933-4939. https://doi.org/10.1021/acs.jpclett.4c00401

Madzharova, F. & Weidner, T. (2024). Structure and Dynamics of Milk Proteins Interacting with Caffeine and Espresso Determined by Two-Dimensional Infrared Spectroscopy. ACS Food Science & Technology, 4(6), 1430-1435. https://doi.org/10.1021/acsfoodscitech.4c00070

Monti, M., Milanetti, E., Frans, M. T., Miotto, M., Di Rienzo, L., Baranov, M. V., Gosti, G., Somavarapu, A. K., Nagaraj, M., Golbek, T. W., Rossing, E., Moons, S. J., Boltje, T. J., van den Bogaart, G., Weidner, T., Otzen, D. E., Tartaglia, G. G., Ruocco, G. & Roeters, S. J. (2024). Two Receptor Binding Strategy of SARS-CoV-2 Is Mediated by Both the N-Terminal and Receptor-Binding Spike Domain. The journal of physical chemistry. B, 128(2), 451-464. https://doi.org/10.1021/acs.jpcb.3c06258

Saeed, K. H., Strunge, K., Pedersen, K. B., Truelsen, S. F., Christensen, S. M., Olsen, L., Schiøtt, B. & Weidner, T. (2024). Investigating Lipase/Stain Interactions: Determining Interfacial Protein Conformation with Surface Spectroscopy. The journal of physical chemistry. B, 128(34), 8162-8169. https://doi.org/10.1021/acs.jpcb.4c03173

Thøgersen, J., Madzharova, F., Weidner, T. & Jensen, F. (2024). Aqueous pyruvate partly dissociates under deep ultraviolet irradiation but is resilient to near ultraviolet excitation. Nature Communications, 15(1), Article 1978. https://doi.org/10.1038/s41467-024-46309-5, https://doi.org/10.1038/s41467-024-46309-5

Thøgersen, J., Madzharova, F., Weidner, T. & Jensen, F. (2024). Deep-Ultraviolet Photoexcitation of Aqueous Urea Forms Carbamic Acid/Carbamate in Less Than One Picosecond. Chemistry - A European Journal, 30(39), Article e202400728. https://doi.org/10.1002/chem.202400728

Thomassen, A. B., Jansen, T. L. C. & Weidner, T. (2024). The secondary structure of diatom silaffin peptide R5 determined by two-dimensional infrared spectroscopy. Physical Chemistry Chemical Physics, 26(27), 18538-18546. https://doi.org/10.1039/d4cp00970c

Carpenter, A. P., Khuu, P., Weidner, T., Johnson, C. P., Roeters, S. J. & Baio, J. E. (2023). Orientation of the Dysferlin C2A Domain is Responsive to the Composition of Lipid Membranes. The journal of physical chemistry. B, 127(2), 577-589. https://doi.org/10.1021/acs.jpcb.2c06716

Gewehr, L., Junglas, B., Jilly, R., Franz, J., Zhu, W. E., Weidner, T., Bonn, M., Sachse, C. & Schneider, D. (2023). SynDLP is a dynamin-like protein of Synechocystis sp. PCC 6803 with eukaryotic features. Nature Communications, 14, Article 2156. https://doi.org/10.1038/s41467-023-37746-9

Golbek, T. W., Okur, H. I., Kulik, S., Dedic, J., Roke, S. & Weidner, T. (2023). Lysozyme Interaction with Phospholipid Nanodroplets Probed by Sum Frequency Scattering Vibrational Spectroscopy. Langmuir, 39(18), 6447–6454. https://doi.org/10.1021/acs.langmuir.3c00276

Golbek, T. W. & Weidner, T. (2023). Peptide Orientation Strongly Affected by the Nanoparticle Size as Revealed by Sum Frequency Scattering Spectroscopy. The Journal of Physical Chemistry Letters, 14(44), 9819-9823. https://doi.org/10.1021/acs.jpclett.3c01751

Ma, R., Golbek, T. W., Shi, Y., Weidner, T. & Sutherland, D. (2023). Chiral Sum Frequency Generation by Chiral Gold Nanoparticles Amplifies Weak Sum Frequency Signals and Enables Monitoring of Enantioselective Reactions. ACS Applied Nano Materials, 6(18), 16161-16167. https://doi.org/10.1021/acsanm.3c01774

Rasmussen, M. H., Jaye, C., Fischer, D. & Weidner, T. (2023). A library of calcium mineral reference spectra recorded by parallel imaging using NEXAFS spectromicroscopy. Journal of Electron Spectroscopy and Related Phenomena, 266, Article 147361. https://doi.org/10.1016/j.elspec.2023.147361

Roeters, S. J., Strunge, K., Pedersen, K. B., Golbek, T. W., Bregnhøj, M., Zhang, Y., Wang, Y., Dong, M., Nielsen, J., Otzen, D. E., Schiøtt, B. & Weidner, T. (2023). Elevated concentrations cause upright alpha-synuclein conformation at lipid interfaces. Nature Communications, 14(1), Article 5731. https://doi.org/10.1038/s41467-023-39843-1

Strunge, K., Burgin, T., Golbek, T. W., Roeters, S. J., Pfaendtner, J. & Weidner, T. (2023). Umbrella-like Helical Structure of α-Synuclein at the Air-Water Interface Observed with Experimental and Theoretical Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry Letters, 14(49), 11030-11035. https://doi.org/10.1021/acs.jpclett.3c02543

Thøgersen, J., Chatterley, A. S., Weidner, T. & Jensen, F. (2023). Peptide Bond of Aqueous Dipeptides Is Resilient to Deep Ultraviolet Irradiation. Journal of the American Chemical Society, 145(17), 9777–9785. https://doi.org/10.1021/jacs.3c01469

Thøgersen, J., Weidner, T. & Jensen, F. (2023). The primary photolysis of aqueous carbonate di-anions. Physical Chemistry Chemical Physics, 25(20), 14104-14116. https://doi.org/10.1039/d3cp00236e

Bregnhøj, M., Roeters, S. J., Chatterley, A. S., Madzharova, F., Mertig, R., Pedersen, J. S. & Weidner, T. (2022). Structure and Orientation of the SARS-Coronavirus-2 Spike Protein at Air-Water Interfaces. Journal of Physical Chemistry B, 126(18), 3425-3430. https://doi.org/10.1021/acs.jpcb.2c01272

Bregnhøj, M., Lutz, H., Roeters, S. J., Lieberwirth, I., Mertig, R. & Weidner, T. (2022). The Diatom Peptide R5 Fabricates Two-Dimensional Titanium Dioxide Nanosheets. The Journal of Physical Chemistry Letters, 13(22), 5025-5029. https://doi.org/10.1021/acs.jpclett.2c01088

Chatterley, A. S., Laity, P., Holland, C., Weidner, T., Woutersen, S. & Giubertoni, G. (2022). Broadband Multidimensional Spectroscopy Identifies the Amide II Vibrations in Silkworm Films. Molecules, 27(19), Article 6275. https://doi.org/10.3390/molecules27196275

Chatterley, A. S., Golbek, T. W. & Weidner, T. (2022). Measuring Protein Conformation at Aqueous Interfaces with 2D Infrared Spectroscopy of Emulsions. Journal of Physical Chemistry Letters, 13(31), 7191-7196. https://doi.org/10.1021/acs.jpclett.2c01324

Giubertoni, G., Caporaletti, F., Roeters, S. J., Chatterley, A. S., Weidner, T., Laity, P., Holland, C. & Woutersen, S. (2022). In Situ Identification of Secondary Structures in Unpurified Bombyx mori Silk Fibrils Using Polarized Two-Dimensional Infrared Spectroscopy. Biomacromolecules, 23(12), 5340-5349. https://doi.org/10.1021/acs.biomac.2c01156

Golbek, T. W., Strunge, K., Chatterley, A. S. & Weidner, T. (2022). Peptide Orientation at Emulsion Nanointerfaces Dramatically Different from Flat Surfaces. The Journal of Physical Chemistry Letters, 13(46), 10858-10862. https://doi.org/10.1021/acs.jpclett.2c02870

Holler, K. R., Rasmussen, M. H., Baio, J. E., Jaye, C., Fischer, D. A., Gorb, S. N. & Weidner, T. (2022). Structure of Keratins in Adhesive Gecko Setae Determined by Near-Edge X‑ray Absorption Fine Structure Spectromicroscopy. The Journal of Physical Chemistry Letters, 13(9), 2193-2196. https://doi.org/10.1021/acs.jpclett.2c00004

Khan, N., Aslan, H., Büttner, H., Rohde, H., Golbek, T. W., Roeters, S. J., Woutersen, S., Weidner, T. & Meyer, R. L. (2022). The giant staphylococcal protein Embp facilitates colonization of surfaces through Velcro-like attachment to fibrillated fibronectin. eLife, 11, Article e76164. https://doi.org/10.7554/elife.76164

Madzharova, F., Bregnhøj, M., Chatterley, A. S., Løvschall, K. B., Drace, T., Andersen Dreyer, L. S., Boesen, T. & Weidner, T. (2022). Electrostatics Trigger Interfacial Self-Assembly of Bacterial Ice Nucleators. Biomacromolecules, 23(2), 505-512. https://doi.org/10.1021/acs.biomac.1c01217

Nørnberg, P., Finster, K., Thøgersen, J., Golbek, T. W., Weidner, T., Hassenkam, T., Goetz, W., Oehlke, M. & Knak Jensen, S. J. (2022). Methane as a reddish coating agent. Icarus, 382, Article 115023. https://doi.org/10.1016/j.icarus.2022.115023

Pickering, J. D., Bregnhøj, M., Chatterley, A. S., Rasmussen, M. H., Roeters, S. J., Strunge, K. & Weidner, T. (2022). Tutorials in vibrational sum frequency generation spectroscopy. II. Designing a broadband vibrational sum frequency generation spectrometer. Biointerphases, 17(1), Article 011202. https://doi.org/10.1116/6.0001403

Pickering, J. D., Bregnhøj, M., Rasmussen, M. H., Strunge, K. & Weidner, T. (2022). Tutorials in vibrational sum frequency generation spectroscopy. III. Collecting, processing, and analyzing vibrational sum frequency generation spectra. Biointerphases, 17(4), Article 041201. https://doi.org/10.1116/6.0001951

Pickering, J. D., Bregnhøj, M., Chatterley, A. S., Rasmussen, M. H., Strunge, K. & Weidner, T. (2022). Tutorials in vibrational sum frequency generation spectroscopy. I. the foundations. Biointerphases, 17(1), Article 011201. https://doi.org/10.1116/6.0001401

Rasmussen, M. H., Holler, K. R., Baio, J. E., Jaye, C., Fischer, D. A., Gorb, S. N. & Weidner, T. (2022). Evidence that gecko setae are coated with an ordered nanometre-thin lipid film. Biology Letters, 18(7), Article 20220093. https://doi.org/10.1098/rsbl.2022.0093

Strunge, K., Hoinkis, N., Lutz, H., Alamdari, S., Roeters, S. J., Lu, H., Pfaendtner, J. & Weidner, T. (2022). Peptide Mimic of the Marine Sponge Protein Silicatein Fabricates Ultrathin Nanosheets of Silicon Dioxide and Titanium Dioxide. Langmuir, 38(26), 8087–8093. https://doi.org/10.1021/acs.langmuir.2c00918

Strunge, K., Madzharova, F., Jensen, F., Weidner, T. & Nagata, Y. (2022). Theoretical Sum Frequency Generation Spectra of Protein Amide with Surface-Specific Velocity-Velocity Correlation Functions. Journal of Physical Chemistry B, 126(42), 8571-8578. https://doi.org/10.1021/acs.jpcb.2c04321

Thøgersen, J., Weidner, T. & Jensen, F. (2022). The primary photo-dissociation dynamics of aqueous formamide and dimethylformamide. Physical Chemistry Chemical Physics, 24(40), 24695-24705. https://doi.org/10.1039/d2cp03166c

Thøgersen, J., Weidner, T. & Jensen, F. (2022). The primary photo-dissociation dynamics of lactic acid: decarboxylation as CO₂ and CO₂˙⁻†. Physical Chemistry Chemical Physics, 24(11), 6880-6889. https://doi.org/10.1039/d1cp05563a

Fowler, J. E., Franz, J., Golbek, T. W., Weidner, T., Gorb, E., Gorb, S. & Baio, J. E. (2021). Surface chemistry of the ladybird beetle adhesive foot fluid across various substrates. Biointerphases, 16(3), Article 031004. https://doi.org/10.1116/6.0001006

Golbek, T. W., Otto, S. C., Roeters, S. J., Weidner, T., Johnson, C. P. & Baio, J. E. (2021). Direct Evidence That Mutations within Dysferlin's C2A Domain Inhibit Lipid Clustering. Journal of Physical Chemistry B, 125(1), 148-157. https://doi.org/10.1021/acs.jpcb.0c07143

Golbek, T. W., Faase, R. A., Rasmussen, M. H., Tykwinski, R. R., Stryker, J. M., Ivar Andersen, S., Baio, J. E. & Weidner, T. (2021). Model Asphaltenes Adsorbed onto Methyl- And COOH-Terminated SAMs on Gold. Langmuir, 37(32), 9785-9792. https://doi.org/10.1021/acs.langmuir.1c01338

Hoinkis, N., Lutz, H., Lu, H., Golbek, T. W., Bregnhøj, M., Jakob, G., Bonn, M. & Weidner, T. (2021). Assembly of iron oxide nanosheets at the air–water interface by leucine–histidine peptides. R S C Advances, 11(45), 27956-27968. https://doi.org/10.1039/D1RA04733G

Lu, H., Ng, D. Y. W., Lieberwirth, I., Weidner, T. & Bonn, M. (2021). Intrinsisch ungeordnete Osteopontin-Fragmente ordnen sich während der interfazialen Calciumoxalat-Mineralisierung. Angewandte Chemie, 133(34), 18725-18729. https://doi.org/10.1002/ange.202105768

Milanetti, E., Miotto, M., Di Rienzo, L., Nagaraj, M., Monti, M., Golbek, T. W., Gosti, G., Roeters, S. J., Weidner, T., Otzen, D. E. & Ruocco, G. (2021). In-Silico Evidence for a Two Receptor Based Strategy of SARS-CoV-2. Frontiers in Molecular Biosciences, 8, Article 690655. https://doi.org/10.3389/fmolb.2021.690655

Monge, P., Løvschall, K. B., Søgaard, A. B., Walther, R., Golbek, T. W., Schmüser, L., Weidner, T. & Zelikin, A. N. (2021). Synthetic Artificial Apoptosis-Inducing Receptor for On-Demand Deactivation of Engineered Cells. Advanced Science, 8(13), Article 2004432. https://doi.org/10.1002/advs.202004432

Nadein, K., Kovalev, A., Thøgersen, J., Weidner, T. & Gorb, S. (2021). Insects use lubricants to minimize friction and wear in leg joints. Proceedings of the Royal Society B: Biological Sciences, 288(1954), Article 20211065. https://doi.org/10.1098/rspb.2021.1065

Pickering, J., Chatterley, A. S., Bregnhøj, M. & Weidner, T. (2021). A liquid surface height controller for surface spectroscopy. Review of Scientific Instruments, 92(9), Article 094104. https://doi.org/10.1063/5.0057849

Roeters, S. J., Mertig, R., Lutz, H., Roehrich, A., Drobny, G. & Weidner, T. (2021). Backbone Structure of Diatom Silaffin Peptide R5 in Biosilica Determined by Combining Solid-State NMR with Theoretical Sum-Frequency Generation Spectra. Journal of Physical Chemistry Letters, 12(39), 9657-9661. https://doi.org/10.1021/acs.jpclett.1c02786

Roeters, S. J., Golbek, T. W., Bregnhøj, M., Drace, T., Alamdari, S., Roseboom, W., Kramer, G., Šantl-Temkiv, T., Finster, K., Pfaendtner, J., Woutersen, S., Boesen, T. & Weidner, T. (2021). Ice-nucleating proteins are activated by low temperatures to control the structure of interfacial water. Nature Communications, 12(1), Article 1183. https://doi.org/10.1038/s41467-021-21349-3

Schmüser, L., Trefz, M., Roeters, S. J., Beckner, W., Pfaendtner, J., Otzen, D., Woutersen, S., Bonn, M., Schneider, D. & Weidner, T. (2021). Membrane Structure of Aquaporin Observed with Combined Experimental and Theoretical Sum Frequency Generation Spectroscopy. Langmuir : the ACS journal of surfaces and colloids, 37(45), 13452-13459. https://doi.org/10.1021/acs.langmuir.1c02206

Schmüser, L., Golbek, T. W. & Weidner, T. (2021). Windowless detection geometry for sum frequency scattering spectroscopy in the C-D and amide i regions. Biointerphases, 16(1), Article 011201. https://doi.org/10.1116/6.0000419

Sprenger, K., Roeters, S. J., Mauri, S., Mertig, R., Nishiyama, Y., Pfaendtner, J. & Weidner, T. (2021). Direct Evidence for Aligned Binding of Cellulase Enzymes to Cellulose Surfaces. Journal of Physical Chemistry Letters, 12(43), 10684-10688. https://doi.org/10.1021/acs.jpclett.1c02757

Strazdaite, S., Roeters, S. J., Sakalauskas, A., Sneideris, T., Kirschner, J., Pedersen, K. B., Schiøtt, B., Jensen, F., Weidner, T., Smirnovas, V. & Niaura, G. (2021). Interaction of Amyloid-β-(1-42) Peptide and Its Aggregates with Lipid/Water Interfaces Probed by Vibrational Sum-Frequency Generation Spectroscopy. Journal of Physical Chemistry B, 125(40), 11208-11218. https://doi.org/10.1021/acs.jpcb.1c04882

Thøgersen, J., Vaida, V., Bregnhøj, M., Weidner, T. & Jensen, F. (2021). The primary photo-dissociation dynamics of lactate in aqueous solution: decarboxylation prevents dehydroxylation. Physical Chemistry Chemical Physics, 23(8), 4555-4568. https://doi.org/10.1039/d0cp05650b

Thøgersen, J., Weidner, T. & Jensen, F. (2021). The primary photolysis dynamics of oxalate in aqueous solution: decarboxylation. Physical Chemistry Chemical Physics, 23(16), 10040-10050. https://doi.org/10.1039/d1cp00205h

Alamdari, S., Roeters, S. J., Golbek, T. W., Schmüser, L., Weidner, T. & Pfaendtner, J. (2020). Orientation and Conformation of Proteins at the Air-Water Interface Determined from Integrative Molecular Dynamics Simulations and Sum Frequency Generation Spectroscopy. Langmuir : the ACS journal of surfaces and colloids, 36(40), 11855-11865. https://doi.org/10.1021/acs.langmuir.0c01881

Golbek, T. W., Schmüser, L., Rasmussen, M. H., Poulsen, T. B. & Weidner, T. (2020). Lasalocid Acid Antibiotic at a Membrane Surface Probed by Sum Frequency Generation Spectroscopy. Langmuir : the ACS journal of surfaces and colloids, 36(12), 3184-3192. https://doi.org/10.1021/acs.langmuir.9b03752

Hosseinpour, S., Roeters, S. J., Bonn, M., Peukert, W., Woutersen, S. & Weidner, T. (2020). Structure and Dynamics of Interfacial Peptides and Proteins from Vibrational Sum-Frequency Generation Spectroscopy. Chemical Reviews, 120(7), 3420-3465. https://doi.org/10.1021/acs.chemrev.9b00410

Kassmannhuber, J., Mauri, S., Rauscher, M., Brait, N., Schöner, L., Witte, A., Weidner, T. & Lubitz, W. (2020). Freezing from the inside: Ice nucleation in Escherichia coli and Escherichia coli ghosts by inner membrane bound ice nucleation protein InaZ. Biointerphases, 15(3), Article 031003. https://doi.org/10.1116/1.5142174

Schmüser, L., Zhang, W., Marx, M. T., Encinas, N., Vollmer, D., Gorb, S., Baio, J. E., Räder, H. J. & Weidner, T. (2020). Role of Surface Chemistry in the Superhydrophobicity of the Springtail Orchesella cincta (Insecta:Collembola). ACS applied materials & interfaces, 12(10), 12294-12304. https://doi.org/10.1021/acsami.9b21615

Baio, J. E., Jaye, C., Sullivan, E., Rasmussen, M. H., Fischer, D. A., Gorb, S. & Weidner, T. (2019). NEXAFS imaging to characterize the physio-chemical composition of cuticle from African Flower Scarab Eudicella gralli. Nature Communications, 10(1), 1-8. Article 4758. https://doi.org/10.1038/s41467-019-12616-5

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Tobias Weidner