@article{63980, abstract = {{Density, viscosity, and self-diffusion coefficients are reported for octan-1-ol and the related ether-alcohols 2-pentoxy-ethan-1-ol, 3-butoxypropan-1-ol, 4-propoxybutan-1-ol, 5-ethoxypentan-1-ol, and 6-methoxyhexan-1-ol covering temperature ranges from 298.15 to 359.15 K. These new data reveal structure–property relationships affected by the presence and the position of the ether moiety in the molecular structure of the ether-alcohols. Compared to octan-1-ol, the presence of the ether moiety causes an increase in intermolecular hydrogen bonding interactions, resulting in higher densities. The increase in density is less pronounced for those ether-octanols that engage in intramolecular hydrogen bonding. As for the effects of the ether moiety on the dynamics, these are generally faster for the ether-alcohols compared to octan-1-ol, suggesting that hydrogen bonding between ether oxygen and hydroxy hydrogen is weaker compared to hydrogen bonding between two hydroxy groups. The activation energies obtained from an Arrhenius analysis are higher for translational motion than for momentum transfer for all alcohols. There are additional finer details across the ether alcohols for these activation barriers. These differences cancel out for the mathematical product of self-diffusion coefficient and viscosity (Dη). The effect of water impurities on the studied properties was also investigated and found to lead to small increases in densities for all alcohols. Viscosities decrease for octan-1-ol and 2-pentoxyethan-1-ol but increase for the other ether-alcohols that can engage in intramolecular hydrogen bonding. Density, viscosity, and self-diffusion coefficients are reported for octan-1-ol and the related ether-alcohols 2-pentoxy-ethan-1-ol, 3-butoxypropan-1-ol, 4-propoxybutan-1-ol, 5-ethoxypentan-1-ol, and 6-methoxyhexan-1-ol covering temperature ranges from 298.15 to 359.15 K. These new data reveal structure–property relationships affected by the presence and the position of the ether moiety in the molecular structure of the ether-alcohols. Compared to octan-1-ol, the presence of the ether moiety causes an increase in intermolecular hydrogen bonding interactions, resulting in higher densities. The increase in density is less pronounced for those ether-octanols that engage in intramolecular hydrogen bonding. As for the effects of the ether moiety on the dynamics, these are generally faster for the ether-alcohols compared to octan-1-ol, suggesting that hydrogen bonding between ether oxygen and hydroxy hydrogen is weaker compared to hydrogen bonding between two hydroxy groups. The activation energies obtained from an Arrhenius analysis are higher for translational motion than for momentum transfer for all alcohols. There are additional finer details across the ether alcohols for these activation barriers. These differences cancel out for the mathematical product of self-diffusion coefficient and viscosity (Dη). The effect of water impurities on the studied properties was also investigated and found to lead to small increases in densities for all alcohols. Viscosities decrease for octan-1-ol and 2-pentoxyethan-1-ol but increase for the other ether-alcohols that can engage in intramolecular hydrogen bonding.}}, author = {{Hoffmann, Markus M. and Gonzalez, Anthony A. and Huynh, Mandy T. and Miller, Kashane K. and Gutmann, Torsten and Buntkowsky, Gerd}}, issn = {{0021-9568}}, journal = {{Journal of Chemical & Engineering Data}}, number = {{8}}, pages = {{2688–2699}}, publisher = {{American Chemical Society}}, title = {{{Densities, Viscosities, and Self-Diffusion Coefficients of Octan-1-ol and Related Ether-Alcohols}}}, doi = {{10.1021/acs.jced.4c00195}}, volume = {{69}}, year = {{2024}}, } @article{63988, abstract = {{This concept summarizes recent advances in development and application of DNP enhanced multinuclear solid-state NMR to study the molecular structure and surface functionalization of cellulose and paper-based materials. Moreover, a novel application is presented where DNP enhanced 13C and 15N solid-state NMR is used to identify structure moieties formed by cross-linking of hydroxypropyl cellulose. Given these two aspects of this concept-type of article, we thus combine both, a review on recent findings already published and unpublished recent data that complement the existing knowledge in the field of characterization of functional lignocellulosic materials by DNP enhanced solid-state NMR.}}, author = {{Höfler, Mark V. and Lins, Jonas and Seelinger, David and Pachernegg, Lukas and Schäfer, Timmy and Spirk, Stefan and Biesalski, Markus and Gutmann, Torsten}}, journal = {{Journal of Magnetic Resonance Open}}, keywords = {{solid-state nmr, dynamic nuclear polarization, Hydroxypropyl cellulose, Selective enhancement, Spin labelling}}, pages = {{100163}}, title = {{{DNP enhanced solid-state NMR – A powerful tool to address the surface functionalization of cellulose/paper derived materials}}}, doi = {{10.1016/j.jmro.2024.100163}}, volume = {{21}}, year = {{2024}}, } @article{63974, abstract = {{A versatile strategy for synthesizing tailored peptide based biradicals is presented. By labeling the protected amino acid hydroxyproline with PROXYL via the OH functionality and using this building block in solid phase peptide synthesis (SPPS), the obtained peptides become polarization agents for DNP enhanced solid-state NMR in biotolerant media. To analyze the effect of the radical position on the enhancement factor, three different biradicals are synthesized. The PROXYL spin-label is inserted in a collagen inspired artificial peptide sequence by binding through the OH group of the hydroxyproline moieties at specific position in the chain. This labeling strategy is universally applicable for any hydroxyproline position in a peptide sequence since solid-phase peptide synthesis is used to insert the building block. High performance liquid chromatography (HPLC) and mass spectrometry (MS) analyses show the successful introduction of the spin label in the peptide chain and electron paramagnetic resonance (EPR) spectroscopy confirms its activity. Dynamic nuclear polarization (DNP) enhanced solid-state nuclear magnetic resonance (NMR) experiments performed on frozen aqueous glycerol-d8 solutions containing these peptide radicals show significantly higher enhancement factors of up to 45 in 1H→13C cross polarization magic angle spinning (CP MAS) experiments compared to an analogous mono-radical peptide including this building block (ε ≈ 14). Compared to commercial biradicals such as AMUPol for which enhancement factors {\textgreater} 100 have been obtained in the past and which have been optimized in their structure, the obtained enhancement up to 45 for our biradicals presents a significant progress in radical design.}}, author = {{Herr, Kevin and Höfler, Mark V. and Heise, Henrike and Aussenac, Fabien and Kornemann, Felix and Rosenberger, David and Brodrecht, Martin and Oliveira, Marcos and Buntkowsky, Gerd and Gutmann, Torsten}}, journal = {{Journal of Magnetic Resonance Open}}, keywords = {{solid-state nmr, dynamic nuclear polarization, peptides, Biradicals, Spin labeling}}, pages = {{100152}}, title = {{{Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media}}}, doi = {{10.1016/j.jmro.2024.100152}}, volume = {{20}}, year = {{2024}}, } @article{63975, abstract = {{In this contribution, we report on the TEMPO-mediated oxidation of pulp fibers used in the general context of papermaking and for the future design of tailor-made paper in advanced applications. We focus in our studies on properties of TEMPO-oxidized pulp fibers to explain the characteristics of the paper made thereof. 13C solid-state NMR analysis reveals that in particular amorphous regions of the fibers are being chemically oxidized, while at the same time the crystalline regions of the fibers are not significantly affected. Investigation of the fiber morphology before and after oxidation shows that the fiber length is not changed, yet the fibers do exhibit an increase in width if in contact with water, which is attributed to an increase in fiber swelling. In addition, fibrillation decreases due to the oxidative removal of loosely bound fines and fibrils, rendering the surface of the resulting oxidized fibers much smoother in comparison to the original fibers. Finally, we observe that both, dry and wet tensile strengths are also higher for paper made of oxidized fibers, most likely due to cross linkable aldehyde groups formed during oxidation (i.e. hemiacetal bond formation in the sheet during thermal drying). Our results of the oxidation of paper fibers thus offer a systematic study helpful for the design of tailor-made paper useful in several applications where a fiber-modification with fiber-immobilized functional motifs is crucial, such as for example in paper-based microfluidic sensors (µPADs) or lab-on a chip-devices.}}, author = {{Hillscher, Laura M. and Höfler, Mark V. and Gutmann, Torsten and Lux, Cassia and Clerkin, K. Uta and Schwall, Gerhard and Villforth, Klaus and Schabel, Samuel and Biesalski, Markus}}, issn = {{0969-0239}}, journal = {{Cellulose}}, number = {{5}}, pages = {{3067–3082}}, title = {{{Influence of TEMPO-oxidation on pulp fiber chemistry, morphology and mechanical paper sheet properties}}}, doi = {{10.1007/s10570-024-05748-5}}, volume = {{31}}, year = {{2024}}, } @article{63970, abstract = {{Abstract Recent advances in solid-state nuclear magnetic resonance (NMR) spectroscopy, combined with dynamic nuclear polarization (DNP), quantum chemical DFT calculations, and gas-phase NMR spectroscopy investigating the structure and reactivity of heterogeneous catalysts are reviewed. The investigated catalysts range from classical mononuclear catalysts, like immobilized derivates of Wilkinson’s catalysts over binuclear catalysts such as the dirhodium paddlewheel catalyst to catalytic nanoparticles, employing various support materials, such as mesoporous silica gels, coordination polymers, and biomaterials such as cellulose.}}, author = {{Haro Mares, Nadia and Logrado, Millena and Kergassner, Jan and Zhang, Bingyu and Gutmann, Torsten and Buntkowsky, Gerd}}, issn = {{1867-3880}}, journal = {{ChemCatChem}}, keywords = {{solid-state nmr, heterogeneous catalysis, dynamic nuclear polarization, Nanocatalysis, Surface-reactions}}, pages = {{e202401159}}, publisher = {{John Wiley & Sons, Ltd}}, title = {{{Solid-State NMR of Heterogeneous Catalysts}}}, doi = {{10.1002/cctc.202401159}}, year = {{2024}}, } @article{32101, author = {{Weich, Tobias and Guedes Bonthonneau, Yannick and Guillarmou, Colin and Hilgert, Joachim}}, journal = {{J. Europ. Math. Soc.}}, number = {{8}}, pages = {{3085–3147}}, title = {{{Ruelle-Taylor resonances of Anosov actions}}}, doi = {{https://doi.org/10.4171/JEMS/1428}}, volume = {{27}}, year = {{2024}}, } @article{64213, abstract = {{A layered graph G^× is the Cartesian product of a graph G = (V, E) with the linear graph Z, e.g. Z^× is the 2D square lattice Z^2. For Bernoulli percolation with parameter p ∈ [0, 1] on G^× one intuitively would expect that P_p((o, 0) ↔ (v, n)) ≥ P_p((o, 0) ↔ (v, n + 1)) for all o, v ∈ V and n ≥ 0. This is reminiscent of the better known bunkbed conjecture. Here we introduce an approach to the above monotonicity conjecture that makes use of a Markov chain building the percolation pattern layer by layer. In case of finite G we thus can show that for some N ≥ 0 the above holds for all n ≥ N o, v ∈ V and p ∈ [0, 1]. One might hope that this Markov chain approach could be useful for other problems concerning Bernoulli percolation on layered graphs}}, author = {{König, Philipp and Richthammer, Thomas}}, issn = {{0304-4149}}, journal = {{Stochastic Processes and their Applications}}, publisher = {{Elsevier BV}}, title = {{{Monotonicity properties for Bernoulli percolation on layered graphs— A Markov chain approach}}}, doi = {{10.1016/j.spa.2024.104549}}, volume = {{181}}, year = {{2024}}, } @unpublished{55078, abstract = {{This paper develops and discusses a residual-based a posteriori error estimate and a space--time adaptive algorithm for solving parabolic surface partial differential equations on closed stationary surfaces. The full discretization uses the surface finite element method in space and the backward Euler method in time. The proposed error indicator bounds the error quantities globally in space from above and below, and globally in time from above and locally from below. A space--time adaptive algorithm is proposed using the derived error indicator. Numerical experiments illustrate and complement the theory.}}, author = {{Kovács, Balázs and Lantelme, Michael Frederik Raúl}}, booktitle = {{arXiv:2407.02101}}, title = {{{A posteriori error estimates for parabolic partial differential equations on stationary surfaces}}}, year = {{2024}}, } @article{64193, author = {{Xu, Ying and Terhörst, Philipp and Pedersen, Marius and Raja, Kiran}}, issn = {{2637-6415}}, journal = {{IEEE Transactions on Technology and Society}}, number = {{1}}, pages = {{93--106}}, publisher = {{Institute of Electrical and Electronics Engineers (IEEE)}}, title = {{{Analyzing Fairness in Deepfake Detection With Massively Annotated Databases}}}, doi = {{10.1109/tts.2024.3365421}}, volume = {{5}}, year = {{2024}}, } @inproceedings{64192, author = {{Bora, Revoti Prasad and Terhörst, Philipp and Veldhuis, Raymond and Ramachandra, Raghavendra and Raja, Kiran}}, booktitle = {{2024 IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR)}}, publisher = {{IEEE}}, title = {{{SLICE: Stabilized LIME for Consistent Explanations for Image Classification}}}, doi = {{10.1109/cvpr52733.2024.01045}}, year = {{2024}}, } @inproceedings{64191, author = {{Huber, Marco and Luu, Anh Thi and Terhörst, Philipp and Damer, Naser}}, booktitle = {{2024 IEEE/CVF Winter Conference on Applications of Computer Vision (WACV)}}, publisher = {{IEEE}}, title = {{{Efficient Explainable Face Verification based on Similarity Score Argument Backpropagation}}}, doi = {{10.1109/wacv57701.2024.00467}}, year = {{2024}}, } @inproceedings{55663, author = {{Biagi, Clara and Rethfeld, Louis and Kuijper, Arjan and Terhörst, Philipp}}, booktitle = {{2023 IEEE International Joint Conference on Biometrics (IJCB)}}, publisher = {{IEEE}}, title = {{{Explaining Face Recognition Through SHAP-Based Pixel-Level Face Image Quality Assessment}}}, doi = {{10.1109/ijcb57857.2023.10448905}}, year = {{2024}}, } @article{64197, author = {{Chaurasia, Avinash Kumar and Fallahi, Matin and Strufe, Thorsten and Terhörst, Philipp and Cabarcos, Patricia Arias}}, issn = {{2214-2126}}, journal = {{Journal of Information Security and Applications}}, publisher = {{Elsevier BV}}, title = {{{NeuroIDBench: An open-source benchmark framework for the standardization of methodology in brainwave-based authentication research}}}, doi = {{10.1016/j.jisa.2024.103832}}, volume = {{85}}, year = {{2024}}, } @inbook{64202, author = {{Bora, Revoti Prasad and Terhörst, Philipp and Veldhuis, Raymond and Ramachandra, Raghavendra and Raja, Kiran}}, booktitle = {{Lecture Notes in Computer Science}}, isbn = {{9783031781889}}, issn = {{0302-9743}}, publisher = {{Springer Nature Switzerland}}, title = {{{CoFE: Consistency-Driven Feature Elimination for eXplainable AI}}}, doi = {{10.1007/978-3-031-78189-6_24}}, year = {{2024}}, } @inproceedings{64196, author = {{Rot, Peter and Terhörst, Philipp and Peer, Peter and Štruc, Vitomir}}, booktitle = {{2024 IEEE 18th International Conference on Automatic Face and Gesture Recognition (FG)}}, publisher = {{IEEE}}, title = {{{ASPECD: Adaptable Soft-Biometric Privacy-Enhancement Using Centroid Decoding for Face Verification}}}, doi = {{10.1109/fg59268.2024.10581923}}, year = {{2024}}, } @inproceedings{64198, author = {{Al-Refai, Rouqaiah and Biagi, Clara and Chen, Cong and Raja, Kiran and Ramachandra, Raghavendra and Busch, Christoph and Terhörst, Philipp}}, booktitle = {{2024 IEEE International Joint Conference on Biometrics (IJCB)}}, publisher = {{IEEE}}, title = {{{On the Trustworthiness of Face Morphing Attack Detectors}}}, doi = {{10.1109/ijcb62174.2024.10744447}}, year = {{2024}}, } @inproceedings{64195, author = {{Saha, Pritilata and Sinha, Abhirup and Terhörst, Philipp}}, booktitle = {{2024 12th International Workshop on Biometrics and Forensics (IWBF)}}, publisher = {{IEEE}}, title = {{{How does Rejecting Low-Confidence Decisions in Face Recognition Affect Fairness?}}}, doi = {{10.1109/iwbf62628.2024.10593911}}, year = {{2024}}, } @article{64270, author = {{Ganguly, Pritam and Krötz, Bernhard and Kuit, Job J.}}, issn = {{0019-3577}}, journal = {{Indagationes Mathematicae}}, number = {{2}}, pages = {{482--496}}, publisher = {{Elsevier BV}}, title = {{{A note on Lp-factorizations of representations}}}, doi = {{10.1016/j.indag.2024.07.002}}, volume = {{36}}, year = {{2024}}, } @unpublished{64286, author = {{Krötz, Bernhard and Kuit, Job and Schlichtkrull, Henrik}}, title = {{{On Harish-Chandra's Plancherel theorem for Riemannian symmetric spaces}}}, year = {{2024}}, } @article{64550, author = {{Zens, Leon and Besaga, Vira and Möller, Jens and Gerhardt, Nils Christopher and Hofmann, Martin}}, issn = {{1094-4087}}, journal = {{Optics Express}}, publisher = {{Optica Publishing Group}}, title = {{{Holographic measurement of gain and linewidth enhancement factor in semiconductor waveguides}}}, doi = {{10.1364/oe.538741}}, year = {{2024}}, }