@article{12972, abstract = {Embroidery is a long-standing and high-quality approach to making logos and images on textiles. Nowadays, it can also be performed via automated machines that weave threads with high spatial accuracy. A characteristic feature of the appearance of the threads is a high degree of anisotropy. The anisotropic behavior is caused by depositing thin but long strings of thread. As a result, the stitched patterns convey both color and direction. Artists leverage this anisotropic behavior to enhance pure color images with textures, illusions of motion, or depth cues. However, designing colorful embroidery patterns with prescribed directionality is a challenging task, one usually requiring an expert designer. In this work, we propose an interactive algorithm that generates machine-fabricable embroidery patterns from multi-chromatic images equipped with user-specified directionality fields.We cast the problem of finding a stitching pattern into vector theory. To find a suitable stitching pattern, we extract sources and sinks from the divergence field of the vector field extracted from the input and use them to trace streamlines. We further optimize the streamlines to guarantee a smooth and connected stitching pattern. The generated patterns approximate the color distribution constrained by the directionality field. To allow for further artistic control, the trade-off between color match and directionality match can be interactively explored via an intuitive slider. We showcase our approach by fabricating several embroidery paths.}, author = {Liu, Zhenyuan and Piovarci, Michael and Hafner, Christian and Charrondiere, Raphael and Bickel, Bernd}, issn = {1467-8659}, journal = {Computer Graphics Forum}, keywords = {embroidery, design, directionality, density, image}, location = {Saarbrucken, Germany}, number = {2}, pages = {397--409}, publisher = {Wiley}, title = {{Directionality-aware design of embroidery patterns}}, doi = {10.1111/cgf.14770 }, volume = {42}, year = {2023}, } @inproceedings{12976, abstract = {3D printing based on continuous deposition of materials, such as filament-based 3D printing, has seen widespread adoption thanks to its versatility in working with a wide range of materials. An important shortcoming of this type of technology is its limited multi-material capabilities. While there are simple hardware designs that enable multi-material printing in principle, the required software is heavily underdeveloped. A typical hardware design fuses together individual materials fed into a single chamber from multiple inlets before they are deposited. This design, however, introduces a time delay between the intended material mixture and its actual deposition. In this work, inspired by diverse path planning research in robotics, we show that this mechanical challenge can be addressed via improved printer control. We propose to formulate the search for optimal multi-material printing policies in a reinforcement learning setup. We put forward a simple numerical deposition model that takes into account the non-linear material mixing and delayed material deposition. To validate our system we focus on color fabrication, a problem known for its strict requirements for varying material mixtures at a high spatial frequency. We demonstrate that our learned control policy outperforms state-of-the-art hand-crafted algorithms.}, author = {Liao, Kang and Tricard, Thibault and Piovarci, Michael and Seidel, Hans-Peter and Babaei, Vahid}, booktitle = {2023 IEEE International Conference on Robotics and Automation}, issn = {1050-4729}, keywords = {reinforcement learning, deposition, control, color, multi-filament}, location = {London, United Kingdom}, pages = {12345--12352}, publisher = {IEEE}, title = {{Learning deposition policies for fused multi-material 3D printing}}, doi = {10.1109/ICRA48891.2023.10160465}, volume = {2023}, year = {2023}, } @inproceedings{12979, abstract = {Color and gloss are fundamental aspects of surface appearance. State-of-the-art fabrication techniques can manipulate both properties of the printed 3D objects. However, in the context of appearance reproduction, perceptual aspects of color and gloss are usually handled separately, even though previous perceptual studies suggest their interaction. Our work is motivated by previous studies demonstrating a perceived color shift due to a change in the object's gloss, i.e., two samples with the same color but different surface gloss appear as they have different colors. In this paper, we conduct new experiments which support this observation and provide insights into the magnitude and direction of the perceived color change. We use the observations as guidance to design a new method that estimates and corrects the color shift enabling the fabrication of objects with the same perceived color but different surface gloss. We formulate the problem as an optimization procedure solved using differentiable rendering. We evaluate the effectiveness of our method in perceptual experiments with 3D objects fabricated using a multi-material 3D printer and demonstrate potential applications. }, author = {Condor, Jorge and Piovarci, Michael and Bickel, Bernd and Didyk, Piotr}, booktitle = {SIGGRAPH ’23 Conference Proceedings}, isbn = {9798400701597}, keywords = {color, gloss, perception, color compensation, color management}, location = {Los Angeles, CA, United States}, publisher = {Association for Computing Machinery}, title = {{Gloss-aware color correction for 3D printing}}, doi = {10.1145/3588432.3591546}, year = {2023}, } @article{12984, abstract = {Tattoos are a highly popular medium, with both artistic and medical applications. Although the mechanical process of tattoo application has evolved historically, the results are reliant on the artisanal skill of the artist. This can be especially challenging for some skin tones, or in cases where artists lack experience. We provide the first systematic overview of tattooing as a computational fabrication technique. We built an automated tattooing rig and a recipe for the creation of silicone sheets mimicking realistic skin tones, which allowed us to create an accurate model predicting tattoo appearance. This enables several exciting applications including tattoo previewing, color retargeting, novel ink spectra optimization, color-accurate prosthetics, and more.}, author = {Piovarci, Michael and Chapiro, Alexandre and Bickel, Bernd}, issn = {1557-7368}, journal = {Transactions on Graphics}, keywords = {appearance, modeling, reproduction, tattoo, skin color, gamut mapping, ink-optimization, prosthetic}, location = {Los Angeles, CA, United States}, number = {4}, publisher = {Association for Computing Machinery}, title = {{Skin-Screen: A computational fabrication framework for color tattoos}}, doi = {10.1145/3592432}, volume = {42}, year = {2023}, } @article{13039, abstract = {We calculate reflectivities of dynamically compressed water, water-ethanol mixtures, and ammonia at infrared and optical wavelengths with density functional theory and molecular dynamics simulations. The influence of the exchange-correlation functional on the results is examined in detail. Our findings indicate that the consistent use of the HSE hybrid functional reproduces experimental results much better than the commonly used PBE functional. The HSE functional offers not only a more accurate description of the electronic band gap but also shifts the onset of molecular dissociation in the molecular dynamics simulations to significantly higher pressures. We also highlight the importance of using accurate reference standards in reflectivity experiments and reanalyze infrared and optical reflectivity data from recent experiments. Thus, our combined theoretical and experimental work explains and resolves lingering discrepancies between calculations and measurements for the investigated molecular substances under shock compression.}, author = {French, Martin and Bethkenhagen, Mandy and Ravasio, Alessandra and Hernandez, Jean Alexis}, issn = {2469-9969}, journal = {Physical Review B}, number = {13}, publisher = {American Physical Society}, title = {{Ab initio calculation of the reflectivity of molecular fluids under shock compression}}, doi = {10.1103/PhysRevB.107.134109}, volume = {107}, year = {2023}, } @article{13041, abstract = {A series of triarylamines was synthesised and screened for their suitability as catholytes in redox flow batteries using cyclic voltammetry (CV). Tris(4-aminophenyl)amine was found to be the strongest candidate. Solubility and initial electrochemical performance were promising; however, polymerisation was observed during electrochemical cycling leading to rapid capacity fade prescribed to a loss of accessible active material and the limitation of ion transport processes within the cell. A mixed electrolyte system of H3PO4 and HCl was found to inhibit polymerisation producing oligomers that consumed less active material reducing rates of degradation in the redox flow battery. Under these conditions Coulombic efficiency improved by over 4 %, the maximum number of cycles more than quadrupled and an additional theoretical capacity of 20 % was accessed. This paper is, to our knowledge, the first example of triarylamines as catholytes in all-aqueous redox flow batteries and emphasises the impact supporting electrolytes can have on electrochemical performance.}, author = {Farag, Nadia L. and Jethwa, Rajesh B and Beardmore, Alice E. and Insinna, Teresa and O'Keefe, Christopher A. and Klusener, Peter A.A. and Grey, Clare P. and Wright, Dominic S.}, issn = {1864-564X}, journal = {ChemSusChem}, number = {13}, publisher = {Wiley}, title = {{Triarylamines as catholytes in aqueous organic redox flow batteries}}, doi = {10.1002/cssc.202300128}, volume = {16}, year = {2023}, } @article{13042, abstract = {Let Lc,n denote the size of the longest cycle in G(n, c/n),c >1 constant. We show that there exists a continuous function f(c) such that Lc,n/n→f(c) a.s. for c>20, thus extending a result of Frieze and the author to smaller values of c. Thereafter, for c>20, we determine the limit of the probability that G(n, c/n)contains cycles of every length between the length of its shortest and its longest cycles as n→∞.}, author = {Anastos, Michael}, issn = {1077-8926}, journal = {Electronic Journal of Combinatorics}, number = {2}, publisher = {Electronic Journal of Combinatorics}, title = {{A note on long cycles in sparse random graphs}}, doi = {10.37236/11471}, volume = {30}, year = {2023}, } @article{13043, abstract = {We derive a weak-strong uniqueness principle for BV solutions to multiphase mean curvature flow of triple line clusters in three dimensions. Our proof is based on the explicit construction of a gradient flow calibration in the sense of the recent work of Fischer et al. (2020) for any such cluster. This extends the two-dimensional construction to the three-dimensional case of surfaces meeting along triple junctions.}, author = {Hensel, Sebastian and Laux, Tim}, issn = {1463-9971}, journal = {Interfaces and Free Boundaries}, number = {1}, pages = {37--107}, publisher = {EMS Press}, title = {{Weak-strong uniqueness for the mean curvature flow of double bubbles}}, doi = {10.4171/IFB/484}, volume = {25}, year = {2023}, } @article{13044, abstract = {Singlet oxygen (1O2) formation is now recognised as a key aspect of non-aqueous oxygen redox chemistry. For identifying 1O2, chemical trapping via 9,10-dimethylanthracene (DMA) to form the endoperoxide (DMA-O2) has become the mainstay method due to its sensitivity, selectivity, and ease of use. While DMA has been shown to be selective for 1O2, rather than forming DMA-O2 with a wide variety of potentially reactive O-containing species, false positives might hypothetically be obtained in the presence of previously overlooked species. Here, we first give unequivocal direct spectroscopic proof by the 1O2-specific near infrared (NIR) emission at 1270 nm for the previously proposed 1O2 formation pathways, which centre around superoxide disproportionation. We then show that peroxocarbonates, common intermediates in metal-O2 and metal carbonate electrochemistry, do not produce false-positive DMA-O2. Moreover, we identify a previously unreported 1O2-forming pathway through the reaction of CO2 with superoxide. Overall, we give unequivocal proof for 1O2 formation in non-aqueous oxygen redox and show that chemical trapping with DMA is a reliable method to assess 1O2 formation.}, author = {Mondal, Soumyadip and Jethwa, Rajesh B and Pant, Bhargavi and Hauschild, Robert and Freunberger, Stefan Alexander}, issn = {1364-5498}, journal = {Faraday Discussions}, keywords = {Physical and Theoretical Chemistry}, publisher = {Royal Society of Chemistry}, title = {{Singlet oxygen in non-aqueous oxygen redox: Direct spectroscopic evidence for formation pathways and reliability of chemical probes}}, doi = {10.1039/d3fd00088e}, year = {2023}, } @inproceedings{13048, abstract = {In this paper we introduce a pruning of the medial axis called the (λ,α)-medial axis (axλα). We prove that the (λ,α)-medial axis of a set K is stable in a Gromov-Hausdorff sense under weak assumptions. More formally we prove that if K and K′ are close in the Hausdorff (dH) sense then the (λ,α)-medial axes of K and K′ are close as metric spaces, that is the Gromov-Hausdorff distance (dGH) between the two is 1/4-Hölder in the sense that dGH (axλα(K),axλα(K′)) ≲ dH(K,K′)1/4. The Hausdorff distance between the two medial axes is also bounded, by dH (axλα(K),λα(K′)) ≲ dH(K,K′)1/2. These quantified stability results provide guarantees for practical computations of medial axes from approximations. Moreover, they provide key ingredients for studying the computability of the medial axis in the context of computable analysis.}, author = {Lieutier, André and Wintraecken, Mathijs}, booktitle = {Proceedings of the 55th Annual ACM Symposium on Theory of Computing}, isbn = {9781450399135}, location = {Orlando, FL, United States}, pages = {1768--1776}, publisher = {Association for Computing Machinery}, title = {{Hausdorff and Gromov-Hausdorff stable subsets of the medial axis}}, doi = {10.1145/3564246.3585113}, year = {2023}, } @article{13049, abstract = {We propose a computational design approach for covering a surface with individually addressable RGB LEDs, effectively forming a low-resolution surface screen. To achieve a low-cost and scalable approach, we propose creating designs from flat PCB panels bent in-place along the surface of a 3D printed core. Working with standard rigid PCBs enables the use of established PCB manufacturing services, allowing the fabrication of designs with several hundred LEDs. Our approach optimizes the PCB geometry for folding, and then jointly optimizes the LED packing, circuit and routing, solving a challenging layout problem under strict manufacturing requirements. Unlike paper, PCBs cannot bend beyond a certain point without breaking. Therefore, we introduce parametric cut patterns acting as hinges, designed to allow bending while remaining compact. To tackle the joint optimization of placement, circuit and routing, we propose a specialized algorithm that splits the global problem into one sub-problem per triangle, which is then individually solved. Our technique generates PCB blueprints in a completely automated way. After being fabricated by a PCB manufacturing service, the boards are bent and glued by the user onto the 3D printed support. We demonstrate our technique on a range of physical models and virtual examples, creating intricate surface light patterns from hundreds of LEDs.}, author = {Freire, Marco and Bhargava, Manas and Schreck, Camille and Hugron, Pierre-Alexandre and Bickel, Bernd and Lefebvre, Sylvain}, issn = {1557-7368}, journal = {Transactions on Graphics}, keywords = {PCB design and layout, Mesh geometry models}, location = {Los Angeles, CA, United States}, number = {4}, publisher = {Association for Computing Machinery}, title = {{PCBend: Light up your 3D shapes with foldable circuit boards}}, doi = {10.1145/3592411}, volume = {42}, year = {2023}, } @inbook{13052, abstract = {Imaging of the immunological synapse (IS) between dendritic cells (DCs) and T cells in suspension is hampered by suboptimal alignment of cell-cell contacts along the vertical imaging plane. This requires optical sectioning that often results in unsatisfactory resolution in time and space. Here, we present a workflow where DCs and T cells are confined between a layer of glass and polydimethylsiloxane (PDMS) that orients the cells along one, horizontal imaging plane, allowing for fast en-face-imaging of the DC-T cell IS.}, author = {Leithner, Alexander F and Merrin, Jack and Sixt, Michael K}, booktitle = {The Immune Synapse}, editor = {Baldari, Cosima and Dustin, Michael}, isbn = {9781071631348}, issn = {1940-6029}, pages = {137--147}, publisher = {Springer Nature}, title = {{En-Face Imaging of T Cell-Dendritic Cell Immunological Synapses}}, doi = {10.1007/978-1-0716-3135-5_9}, volume = {2654}, year = {2023}, } @inproceedings{13053, abstract = {Deep neural networks (DNNs) often have to be compressed, via pruning and/or quantization, before they can be deployed in practical settings. In this work we propose a new compression-aware minimizer dubbed CrAM that modifies the optimization step in a principled way, in order to produce models whose local loss behavior is stable under compression operations such as pruning. Thus, dense models trained via CrAM should be compressible post-training, in a single step, without significant accuracy loss. Experimental results on standard benchmarks, such as residual networks for ImageNet classification and BERT models for language modelling, show that CrAM produces dense models that can be more accurate than the standard SGD/Adam-based baselines, but which are stable under weight pruning: specifically, we can prune models in one-shot to 70-80% sparsity with almost no accuracy loss, and to 90% with reasonable (∼1%) accuracy loss, which is competitive with gradual compression methods. Additionally, CrAM can produce sparse models which perform well for transfer learning, and it also works for semi-structured 2:4 pruning patterns supported by GPU hardware. The code for reproducing the results is available at this https URL .}, author = {Peste, Elena-Alexandra and Vladu, Adrian and Kurtic, Eldar and Lampert, Christoph and Alistarh, Dan-Adrian}, booktitle = {11th International Conference on Learning Representations }, location = {Kigali, Rwanda }, title = {{CrAM: A Compression-Aware Minimizer}}, year = {2023}, } @phdthesis{13074, abstract = {Deep learning has become an integral part of a large number of important applications, and many of the recent breakthroughs have been enabled by the ability to train very large models, capable to capture complex patterns and relationships from the data. At the same time, the massive sizes of modern deep learning models have made their deployment to smaller devices more challenging; this is particularly important, as in many applications the users rely on accurate deep learning predictions, but they only have access to devices with limited memory and compute power. One solution to this problem is to prune neural networks, by setting as many of their parameters as possible to zero, to obtain accurate sparse models with lower memory footprint. Despite the great research progress in obtaining sparse models that preserve accuracy, while satisfying memory and computational constraints, there are still many challenges associated with efficiently training sparse models, as well as understanding their generalization properties. The focus of this thesis is to investigate how the training process of sparse models can be made more efficient, and to understand the differences between sparse and dense models in terms of how well they can generalize to changes in the data distribution. We first study a method for co-training sparse and dense models, at a lower cost compared to regular training. With our method we can obtain very accurate sparse networks, and dense models that can recover the baseline accuracy. Furthermore, we are able to more easily analyze the differences, at prediction level, between the sparse-dense model pairs. Next, we investigate the generalization properties of sparse neural networks in more detail, by studying how well different sparse models trained on a larger task can adapt to smaller, more specialized tasks, in a transfer learning scenario. Our analysis across multiple pruning methods and sparsity levels reveals that sparse models provide features that can transfer similarly to or better than the dense baseline. However, the choice of the pruning method plays an important role, and can influence the results when the features are fixed (linear finetuning), or when they are allowed to adapt to the new task (full finetuning). Using sparse models with fixed masks for finetuning on new tasks has an important practical advantage, as it enables training neural networks on smaller devices. However, one drawback of current pruning methods is that the entire training cycle has to be repeated to obtain the initial sparse model, for every sparsity target; in consequence, the entire training process is costly and also multiple models need to be stored. In the last part of the thesis we propose a method that can train accurate dense models that are compressible in a single step, to multiple sparsity levels, without additional finetuning. Our method results in sparse models that can be competitive with existing pruning methods, and which can also successfully generalize to new tasks.}, author = {Peste, Elena-Alexandra}, issn = {2663-337X}, pages = {147}, publisher = {Institute of Science and Technology Austria}, title = {{Efficiency and generalization of sparse neural networks}}, doi = {10.15479/at:ista:13074}, year = {2023}, } @phdthesis{13081, abstract = {During development, tissues undergo changes in size and shape to form functional organs. Distinct cellular processes such as cell division and cell rearrangements underlie tissue morphogenesis. Yet how the distinct processes are controlled and coordinated, and how they contribute to morphogenesis is poorly understood. In our study, we addressed these questions using the developing mouse neural tube. This epithelial organ transforms from a flat epithelial sheet to an epithelial tube while increasing in size and undergoing morpho-gen-mediated patterning. The extent and mechanism of neural progenitor rearrangement within the developing mouse neuroepithelium is unknown. To investigate this, we per-formed high resolution lineage tracing analysis to quantify the extent of epithelial rear-rangement at different stages of neural tube development. We quantitatively described the relationship between apical cell size with cell cycle dependent interkinetic nuclear migra-tions (IKNM) and performed high cellular resolution live imaging of the neuroepithelium to study the dynamics of junctional remodeling. Furthermore, developed a vertex model of the neuroepithelium to investigate the quantitative contribution of cell proliferation, cell differentiation and mechanical properties to the epithelial rearrangement dynamics and validated the model predictions through functional experiments. Our analysis revealed that at early developmental stages, the apical cell area kinetics driven by IKNM induce high lev-els of cell rearrangements in a regime of high junctional tension and contractility. After E9.5, there is a sharp decline in the extent of cell rearrangements, suggesting that the epi-thelium transitions from a fluid-like to a solid-like state. We found that this transition is regulated by the growth rate of the tissue, rather than by changes in cell-cell adhesion and contractile forces. Overall, our study provides a quantitative description of the relationship between tissue growth, cell cycle dynamics, epithelia rearrangements and the emergent tissue material properties, and novel insights on how epithelial cell dynamics influences tissue morphogenesis.}, author = {Bocanegra, Laura}, issn = {2663 - 337X}, pages = {93}, publisher = {Institute of Science and Technology Austria}, title = {{Epithelial dynamics during mouse neural tube development}}, doi = {10.15479/at:ista:13081}, year = {2023}, } @article{13091, abstract = {We use a function field version of the Hardy–Littlewood circle method to study the locus of free rational curves on an arbitrary smooth projective hypersurface of sufficiently low degree. On the one hand this allows us to bound the dimension of the singular locus of the moduli space of rational curves on such hypersurfaces and, on the other hand, it sheds light on Peyre’s reformulation of the Batyrev–Manin conjecture in terms of slopes with respect to the tangent bundle.}, author = {Browning, Timothy D and Sawin, Will}, issn = {1944-7833}, journal = {Algebra and Number Theory}, number = {3}, pages = {719--748}, publisher = {Mathematical Sciences Publishers}, title = {{Free rational curves on low degree hypersurfaces and the circle method}}, doi = {10.2140/ant.2023.17.719}, volume = {17}, year = {2023}, } @article{13092, abstract = {There is a need for the development of lead-free thermoelectric materials for medium-/high-temperature applications. Here, we report a thiol-free tin telluride (SnTe) precursor that can be thermally decomposed to produce SnTe crystals with sizes ranging from tens to several hundreds of nanometers. We further engineer SnTe–Cu2SnTe3 nanocomposites with a homogeneous phase distribution by decomposing the liquid SnTe precursor containing a dispersion of Cu1.5Te colloidal nanoparticles. The presence of Cu within the SnTe and the segregated semimetallic Cu2SnTe3 phase effectively improves the electrical conductivity of SnTe while simultaneously reducing the lattice thermal conductivity without compromising the Seebeck coefficient. Overall, power factors up to 3.63 mW m–1 K–2 and thermoelectric figures of merit up to 1.04 are obtained at 823 K, which represent a 167% enhancement compared with pristine SnTe.}, author = {Nan, Bingfei and Song, Xuan and Chang, Cheng and Xiao, Ke and Zhang, Yu and Yang, Linlin and Horta, Sharona and Li, Junshan and Lim, Khak Ho and Ibáñez, Maria and Cabot, Andreu}, issn = {1944-8252}, journal = {ACS Applied Materials and Interfaces}, number = {19}, pages = {23380–23389}, publisher = {American Chemical Society}, title = {{Bottom-up synthesis of SnTe-based thermoelectric composites}}, doi = {10.1021/acsami.3c00625}, volume = {15}, year = {2023}, } @article{13093, abstract = {The direct, solid state, and reversible conversion between heat and electricity using thermoelectric devices finds numerous potential uses, especially around room temperature. However, the relatively high material processing cost limits their real applications. Silver selenide (Ag2Se) is one of the very few n-type thermoelectric (TE) materials for room-temperature applications. Herein, we report a room temperature, fast, and aqueous-phase synthesis approach to produce Ag2Se, which can be extended to other metal chalcogenides. These materials reach TE figures of merit (zT) of up to 0.76 at 380 K. To improve these values, bismuth sulfide (Bi2S3) particles also prepared in an aqueous solution are incorporated into the Ag2Se matrix. In this way, a series of Ag2Se/Bi2S3 composites with Bi2S3 wt % of 0.5, 1.0, and 1.5 are prepared by solution blending and hot-press sintering. The presence of Bi2S3 significantly improves the Seebeck coefficient and power factor while at the same time decreasing the thermal conductivity with no apparent drop in electrical conductivity. Thus, a maximum zT value of 0.96 is achieved in the composites with 1.0 wt % Bi2S3 at 370 K. Furthermore, a high average zT value (zTave) of 0.93 in the 300–390 K range is demonstrated.}, author = {Nan, Bingfei and Li, Mengyao and Zhang, Yu and Xiao, Ke and Lim, Khak Ho and Chang, Cheng and Han, Xu and Zuo, Yong and Li, Junshan and Arbiol, Jordi and Llorca, Jordi and Ibáñez, Maria and Cabot, Andreu}, issn = {2637-6113}, journal = {ACS Applied Electronic Materials}, publisher = {American Chemical Society}, title = {{Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature}}, doi = {10.1021/acsaelm.3c00055}, year = {2023}, } @article{13094, abstract = {Endocytosis is a key cellular process involved in the uptake of nutrients, pathogens, or the therapy of diseases. Most studies have focused on spherical objects, whereas biologically relevant shapes can be highly anisotropic. In this letter, we use an experimental model system based on Giant Unilamellar Vesicles (GUVs) and dumbbell-shaped colloidal particles to mimic and investigate the first stage of the passive endocytic process: engulfment of an anisotropic object by the membrane. Our model has specific ligand–receptor interactions realized by mobile receptors on the vesicles and immobile ligands on the particles. Through a series of experiments, theory, and molecular dynamics simulations, we quantify the wrapping process of anisotropic dumbbells by GUVs and identify distinct stages of the wrapping pathway. We find that the strong curvature variation in the neck of the dumbbell as well as membrane tension are crucial in determining both the speed of wrapping and the final states.}, author = {Azadbakht, Ali and Meadowcroft, Billie and Varkevisser, Thijs and Šarić, Anđela and Kraft, Daniela J.}, issn = {1530-6992}, journal = {Nano Letters}, number = {10}, pages = {4267–4273}, publisher = {American Chemical Society}, title = {{Wrapping pathways of anisotropic dumbbell particles by Giant Unilamellar Vesicles}}, doi = {10.1021/acs.nanolett.3c00375}, volume = {23}, year = {2023}, } @article{13095, abstract = {Disulfide bond formation is fundamentally important for protein structure and constitutes a key mechanism by which cells regulate the intracellular oxidation state. Peroxiredoxins (PRDXs) eliminate reactive oxygen species such as hydrogen peroxide through a catalytic cycle of Cys oxidation and reduction. Additionally, upon Cys oxidation PRDXs undergo extensive conformational rearrangements that may underlie their presently structurally poorly defined functions as molecular chaperones. Rearrangements include high molecular-weight oligomerization, the dynamics of which are, however, poorly understood, as is the impact of disulfide bond formation on these properties. Here we show that formation of disulfide bonds along the catalytic cycle induces extensive μs time scale dynamics, as monitored by magic-angle spinning NMR of the 216 kDa-large Tsa1 decameric assembly and solution-NMR of a designed dimeric mutant. We ascribe the conformational dynamics to structural frustration, resulting from conflicts between the disulfide-constrained reduction of mobility and the desire to fulfill other favorable contacts.}, author = {Troussicot, Laura and Vallet, Alicia and Molin, Mikael and Burmann, Björn M. and Schanda, Paul}, issn = {1520-5126}, journal = {Journal of the American Chemical Society}, number = {19}, pages = {10700–10711}, publisher = {American Chemical Society}, title = {{Disulfide-bond-induced structural frustration and dynamic disorder in a peroxiredoxin from MAS NMR}}, doi = {10.1021/jacs.3c01200}, volume = {145}, year = {2023}, }