1,737 results match your criteria: "Institute for Complex Molecular Systems[Affiliation]"

Tissue growth as a mechanism for collagen fiber alignment in articular cartilage.

Sci Rep

December 2024

Orthopaedic Biomechanics, Department of Biomedical Engineering, Eindhoven University of Technology, Postbus 513, Eindhoven, 5600 MB, The Netherlands.

Articular cartilage is distinguished by the unique alignment of type II collagen, a feature crucial for its mechanical properties and function. This characteristic organization is established during postnatal development of the tissue, yet the underlying mechanisms remain poorly understood. In this study, a potential mechanism for type II collagen alignment by cartilage-specific growth from within the tissue was investigated.

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A hitchhiker's guide to deep chemical language processing for bioactivity prediction.

Digit Discov

December 2024

Eindhoven University of Technology, Institute for Complex Molecular Systems, Eindhoven AI Systems Institute, Dept. Biomedical Engineering Eindhoven Netherlands

Deep learning has significantly accelerated drug discovery, with 'chemical language' processing (CLP) emerging as a prominent approach. CLP approaches learn from molecular string representations (, Simplified Molecular Input Line Entry Systems [SMILES] and Self-Referencing Embedded Strings [SELFIES]) with methods akin to natural language processing. Despite their growing importance, training predictive CLP models is far from trivial, as it involves many 'bells and whistles'.

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Biomolecular sensors with single-molecule resolution are composed of multitudes of transducers that measure state changes related to single-molecular binding and unbinding events. Conventionally, signals are aggregated from many individual transducers in order to achieve sufficient statistics. However, by aggregating signals, transducer-to-transducer differences are lost and heterogeneities cannot be studied.

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Multijunction photovoltaics (PVs) are gaining prominence owing to their superior capability of achieving power conversion efficiencies (PCEs) beyond the radiative limit of single-junction cells, where improving narrow bandgap tin-lead perovskites is critical for thin-film devices. With a focus on understanding the chemistry of tin-lead perovskite precursor solutions, we herein find that Sn(II) species dominate interactions with precursors and additives and uncover the exclusive role of carboxylic acid in regulating solution colloidal properties and film crystallisation, and ammonium in improving film optoelectronic properties. Materials that combine these two function groups, amino acid salts, considerably improve the semiconducting quality and homogeneity of perovskite films, surpassing the effect of the individual functional groups when introduced as part of separate molecules.

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One critical issue in hydrogen/deuterium exchange mass spectrometry (HDX MS) analysis is the deleterious back exchange. Herein, we report that when matrix-assisted laser desorption/ionization (MALDI) is used, the MALDI process itself can also cause significant back exchange. The back exchange occurred inside the reactive MALDI plume was investigated by depositing a fully deuterated sample prepared in DO on top of a preloaded dried layer of matrix.

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Decision-making based on environmental cues is a crucial feature of autonomous systems. Embodying this feature in soft robots poses nontrivial challenges on both hardware and software that can undermine the simplicity and autonomy of such devices. Existing pneumatic electronics-free soft robots have so far mostly been approached by using system fluidic circuit architectures analogous to digital electronics.

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Continuous Biosensing to Monitor Acute Systemic Inflammation, a Diagnostic Need for Therapeutic Guidance.

ACS Sens

December 2024

Department of Laboratory Medicine, Laboratory of Medical Immunology, Radboud Community for Infectious Diseases, Radboud University Medical Center, Nijmegen 6500 HB, The Netherlands.

Continuous monitoring of acute inflammation can become a very important next step for guiding therapeutic interventions in severely ill patients. This Perspective discusses the current medical need for patients with acute inflammatory diseases and the potential of continuous biosensing technologies. First, we discuss biomarkers that could help to monitor the state of a patient with acute systemic inflammation based on theoretical studies and empirical data.

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Gold Nanoparticles Decorated with HPLC6-Derived Peptides as a Platform for Ice Recrystallization Inhibition.

Biomacromolecules

December 2024

DISFARM, Department of Pharmaceutical Sciences, "A. Marchesini" General and Organic Chemistry Section, Università degli Studi di Milano, Via Venezian 21, Milan 20133, Italy.

In nature, organisms living in extreme environmental conditions produce antifreeze proteins (AFPs) that prevent the growth of ice crystals and depress the freezing point of body fluids. In this study, three different peptides derived from the N-terminal sequence of the helical type I AFP HPLC6, along with a stapled derivative produced via on-resin microwave-assisted copper(I)-catalyzed azide-alkyne cycloaddition, were conjugated to gold nanoparticles. The aim of decorating the surface of the nanoparticles with multiple copies of the peptides was to combine the ice-binding capability of the peptides with the size of a nanoparticle, thus, mimicking the protein bulkiness to enhance the peptide antifreeze activity.

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Multivalency as an interaction principle is widely utilized in nature. It enables specific and strong binding by multiple weak interactions through enhanced avidity and is a core process in immune recognition and cellular signaling, which is also a current concept in drug design. Here, we use the high signals from plasmon-enhanced fluorescence of nanoparticles to extract binding kinetics and dynamics of multivalent interactions on the single-molecule level and in real time.

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Combined therapies in cancer treatment aim to enhance antitumor activity. However, delivering multiple small molecules imposes challenges, as different drugs have distinct pharmacokinetic profiles and tumor penetration abilities, affecting their therapeutic efficacy. To circumvent this, poly(lactic-co-glycolic acid) (PLGA)-polyethylene glycol (PEG)-based nanoparticles were developed as a platform for the codelivery of synergistic drug ratios, improving therapeutic efficacy by increasing the percentage of injected dose reaching the tumor.

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Secondary interactions, such as hydrogen bonding or phase separation, can enhance the stability of dynamic covalent materials without compromising on desired dynamic properties. Here, we investigate the combination of multiple secondary interactions in dynamic covalent materials based on acylsemicarbazides (ASCs), with the aim of achieving tunable material properties. The effects of different ASC substituents on the dynamic covalent and hydrogen bonding capabilities were investigated in a small molecule study using a combined experimental and theoretical approach, and revealed the presence of cooperative hydrogen-bonding interactions in 2 directions in one of the derivatives.

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Purpose: Limited nutrient transport is hypothesized to be involved in intervertebral disc (IVD) degeneration. It is widely recognized that the dominant mode of transport of small molecules such as glucose is via diffusion, rather than convection. However, recent findings suggest a role for convection-induced by fast (motion-related) and slow (diurnal) dynamic loading in molecular transport of even such small solutes.

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Children born with defective heart valves require multiple donor valve replacements throughout life, because these cannot grow and can cause early failure through immune degeneration. This study tests the lentiviral delivery of viral immune evasion genes US2 and human serpin 9 to shield human heart valves from immune rejection. The results show we can efficiently down-regulate human leukocyte antigen expression in heart valve cells and in intact heart valve tissue resulting in decreased activity of a human leukocyte antigen-reactive CD8+ T-cell clone without inducing cytotoxicity.

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The biochemical complexity of a material determines the biological response of cells triggered by a cell-material interaction. The degree in which this complexity influences basic cell-material interactions such as cell adhesion, spreading, and mechanotransduction is not entirely clear. To this end, we compared three different hydrogel systems, ranging from completely natural to synthetic, in their ability to induce mechanotransduction in kidney epithelial cells (HK-2).

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Sweat is a biomarker-rich fluid with potential for continuous patient monitoring via wearable devices. However, biomarker concentrations vary with the sweat rate per gland, posing a challenge for sweat sensing. To address this, we propose an algorithm to compute both the number of active sweat glands and their individual sweat rates.

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Mechanically strong yet metabolizable supramolecular plastics by desalting upon phase separation.

Science

November 2024

Department of Chemistry and Biotechnology, School of Engineering, The University of Tokyo, Bunkyo-ku, Tokyo, Japan.

Plastics that can metabolize in oceans are highly sought for a sustainable future. In this work, we report the noncovalent synthesis of unprecedented plastics that are mechanically strong yet metabolizable under biologically relevant conditions owing to their dissociative nature with electrolytes. Salt-bridging sodium hexametaphosphate with di- or tritopic guanidinium sulfate in water forms a cross-linked supramolecular network, which is stable unless electrolytes are resupplied.

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Nature uses discrete molecular building blocks to form polymers that assemble into multicomponent, multi-dynamic networks, inside (cytoskeleton) and outside (extracellular matrix) the cell. Both the intra-fibrous molecular dynamics and interactions between fibers dictate (non)linear mechanics, such as stress stiffening and relaxation, and ultimately biological function. Current synthetic systems capture only one dynamic process.

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Structuring in thin films during meniscus-guided deposition.

J Chem Phys

November 2024

Department of Applied Physics and Science Education, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands.

Article Synopsis
  • - The study explores how evaporation affects the phase separation of a binary fluid mixture in a thin film on a moving surface, focusing on scenarios where phase separation occurs away from the coating device.
  • - It analyzes the transport processes during this phase separation, noting that initial stages are dominated by diffusive and evaporative mass transport, while later stages exhibit a mix of different coarsening mechanisms influenced by solvent evaporation rates and material properties.
  • - A new hydrodynamic coarsening regime is identified for off-critical mixtures, where solute-rich droplets move towards thinner areas of the film, leading to their accumulation and coalescence in those regions.
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Understanding, Mimicking, and Mitigating Radiolytic Damage to Polymers in Liquid Phase Transmission Electron Microscopy.

Adv Mater

December 2024

Center for Multiscale Electron Microscopy, Department of Chemical Engineering and Chemistry, Eindhoven University of Technology, Eindhoven, 5600 MB, The Netherlands.

Advances in liquid phase transmission electron microscopy (LP-TEM) have enabled the monitoring of polymer dynamics in solution at the nanoscale, but radiolytic damage during LP-TEM imaging limits its routine use in polymer science. This study focuses on understanding, mimicking, and mitigating radiolytic damage observed in functional polymers in LP-TEM. It is quantitatively demonstrated how polymer damage occurs across all conceivable (LP-)TEM environments, and the key characteristics and differences between polymer degradation in water vapor and liquid water are elucidated.

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Author Correction: Ultrafast light-activated polymeric nanomotors.

Nat Commun

November 2024

Bio-Organic Chemistry, Departments of Biomedical Engineering and Chemical Engineering & Chemistry, Institute for Complex Molecular Systems, Eindhoven University of Technology, 5600 MB, Eindhoven, The Netherlands.

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Using sweat instead of blood for monitoring chemical biomarker concentrations of hospitalised patients offers several advantages for both the patients and healthcare workers. Unlike blood, sweat can be noninvasively and continuously sampled without direct involvement of a professional, and sweat contains a rich composition of biomarkers. However, patients in resting state have extremely low sweat rates and they produce correspondingly small sweat volumes, which makes sweat sensing of hospitalised patients highly challenging.

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Condensation of Exciton-Polaritons in a Bound State in the Continuum: Effects of the Excitation Spot Size and Polariton Transport.

ACS Nano

November 2024

Department of Applied Physics and Science Education and Eindhoven Hendrik Casimir Institute, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, the Netherlands.

We report the formation of polariton condensates from strongly coupled molecules to bound states in the continuum with quadrupolar character in a metasurface of silicon nanoparticles. Our experiments demonstrate a strong dependence of the condensation threshold on the excitation spot size. The condensation threshold decreases as the excitation spot size increases, achieving thresholds below 3 μm cm for spot sizes of around 1 mm and condensate lifetimes exceeding 20 ps.

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Chemical and Solvent-Based Recycling of DGEBA-Based Epoxy Thermoset and Carbon-Fiber Reinforced Epoxy Composite Utilizing Imine-Containing Secondary Amine Hardener.

Macromol Rapid Commun

November 2024

Polymer Performance Materials Group, Department of Chemical Engineering and Chemistry, and Institute for Complex Molecular Systems (ICMS), Eindhoven University of Technology, Eindhoven, 5600 MB, The Netherlands.

Epoxy systems are essential in numerous industrial applications due to their exceptional mechanical properties, thermal stability, and chemical resistance. Yet, recycling epoxy networks and reinforcing materials in epoxy composites remains challenging, raising environmental concerns. The critical challenge is the recovery of well-defined molecules upon depolymerization.

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Interdisciplinary research is increasingly recognized as a key method to tackle complex societal challenges and stimulate creativity to find innovative solutions. Our key goal when starting our collaboration was to come to innovative ways of treating chronic pain. An ambitious goal that requires out-of-the-box and high-risk-high-gain research.

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A novel approach merging melt electrowriting (MEW) with matched die thermoforming to achieve scaffolds with micron-sized curvatures (200 - 800 µm versus 1000 µm of mandrel printing) for in vitro modeling of the kidney proximal tubule (PT) is proposed. Recent advances in this field emphasize the relevance of accurately replicating the intricate tissue microenvironment, particularly the curvature of the nephrons' tubular segments. While MEW offers promising capabilities for fabricating highly and porous precise 3D structures mimicking the PT, challenges persist in approximating the diameter of tubular scaffolds to match the actual PT.

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