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The collision of cesium atoms on the surface of helium nanodroplets (HNDs) containing 1000 atoms is described by the ZPAD-mPL approach, a zero-point averaged dynamics (ZPAD) method based on a He-He pseudopotential adjusted to better reproduce the total energy of He1000. Four types of collisional patterns were identified depending on the initial projectile speed v0 and impact parameter b. At the lowest speeds (v0 ≲ 250 m s-1), Cs atoms are softly captured by the HND surface, while at the highest ones (v0 ≳ 500-600 m s-1), Cs atoms can travel through the droplet and move away. In between these two extreme cases, Cs atoms can be temporarily submerged in the HND before being expelled to the surface if b = 0 or cross the HND before being captured on its surface. The possibility for Cs capture at experimental velocities and droplet piercings at the highest ones contrasts with time-dependent density functional theory calculations, which predict Cs capture for velocities lower than 75 m s-1, and ring-polymer molecular dynamics (RPMD) or former ZPAD-like methods, which predict soft Cs capture up to 500 m s-1. ZPAD-mPL results are attributed to the liquid but non-superfluid nature of the droplet, which favors energy exchanges with the helium environment, and to low He-He binding energy and HND surface tension, which can stimulate helium ejections, especially at high projectile speeds. Despite the use of a pseudopotential to model He-He interactions, the heliophobicity of Cs atoms is maintained as demonstrated by their ability to remain localized on the HND surface or to be expelled to the HND surface after transient submersion in helium., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

MandibuloAcral Dysplasia associated to MTX2 gene (MADaM) is a recently described progeroid syndrome (accelerated aging disease) whose clinical manifestations include skin abnormalities, growth retardation, and cardiovascular diseases. We previously proposed that mtx-2-deficient C. elegans could be used as a model for MADaM and to support this, we present here our comprehensive phenotypic characterization of these worms using atomic force microscopy (AFM), transcriptomic, and oxygen consumption rate analyses. AFM analysis showed that young mtx-2-less worms had a significantly rougher, less elastic cuticle which becomes significantly rougher and less elastic as they age, and abnormal mitochondrial morphology. mtx-2 C. elegans displayed slightly delayed development, decreased pharyngeal pumping, significantly reduced mitochondrial respiratory capacities, and transcriptomic analysis identified perturbations in the aging, TOR, and WNT-signaling pathways. The phenotypic characteristics of mtx-2 worms shown here are analogous to many of the human clinical presentations of MADaM and we believe this validates their use as a model which will allow us to uncover the molecular details of the disease and develop new therapeutics and treatments., (© 2024. The Author(s).)

Oncostreams are self-organized structures formed by spindle-like, elongated, self-propelled cells recently described in glioblastomas and especially in gliosarcomas. Cells within these structures either move as large clusters in one main direction, flocks, or as linear, intermingling collections of cells advancing in opposite directions, streams. Round, passive cells are also observed, either inside or segregated from the oncostreams. Here we generalize a recently formulated particle-field approach to investigate the genesis and evolution of these structures, first showing that, in systems consisting only of identical self-propelled cells, both flocks and streams emerge as self-organized dynamic configurations. Flocks are the more stable configurations, while streams are transient and usually originate in collisions between flocks. Stream degradation is easier at low self-propulsion speeds. In systems consisting of both motile and passive cells, the latter block stream formation and accelerate their degradation and flock stabilization. Since the flock appears to be the most effective invasive structure, we thus argue that a phenotype mixture (motile and passive cells) may favor glioblastoma invasion. hlBy relating cellular properties to the observed outcome, our model shows that oncostreams are self-organized structures that result from the interplay between speed, shape, and steric repulsion., (© 2024. The Author(s).)

Phosphorene, a semiconducting two-dimensional material, has recently attracted huge interest due to its potential applications in opto-electronics. The first attempts to synthesize phosphorene were based mainly on mechanical and chemical exfoliations. A few years later, different groups reported the synthesis of phosphorene using the molecular beam epitaxy process, which opened the way for research on physical properties. In this article, we report phosphorus growth on an Au(110) substrate via molecular beam epitaxy. The atomically resolved scanning tunneling microscopy images exhibit a self-assembled phosphorus-dimer structure, which is converted into phosphorus chains when increasing the phosphorus coverage. The chemical composition of the obtained structures is determined via Auger electron and X-ray photoelectron spectroscopies. Density functional theory calculations support the experimental findings.

This study introduces an integrated computational environment that leverages Brain-Computer Interface (BCI) technology to enhance information access for individuals with severe disabilities. Traditional assistive technologies often rely on physical interactions, which can be challenging for this demographic. Our innovation focuses on creating new assistive technologies that use novel Human-Computer interfaces to provide a more intuitive and accessible experience. The proposed system offers four key applications to users controlled by four thoughts: an email client, a web browser, an e-learning tool, and both command-line and graphical user interfaces for managing computer resources. The BCI framework translates ElectroEncephaloGraphy (EEG) signals into commands or events using advanced signal processing and machine learning techniques. These identified commands are then processed by an integrative strategy that triggers the appropriate actions and provides real-time feedback on the screen. Our study shows that our framework achieved an 82% average classification accuracy using four distinct thoughts of 62 subjects and a 95% recognition rate for P300 signals from two users, highlighting its effectiveness in translating brain signals into actionable commands. Unlike most existing prototypes that rely on visual stimulation, our system is controlled by thought, inducing brain activity to manage the system's Application Programming Interfaces (APIs). It switches to P300 mode for a virtual keyboard and text input. The proposed BCI system significantly improves the ability of individuals with severe disabilities to interact with various applications and manage computer resources. Our approach demonstrates superior performance in terms of classification accuracy and signal recognition compared to existing methods.

Oxide-water interfaces host a wide range of important reactions in nature and modern industrial applications; however, accurate knowledge about these interfaces is still lacking at the molecular level owing to difficulties in accessing buried oxide surfaces. Here we report an experimental scheme enabling in situ sum-frequency vibrational spectroscopy of oxide surfaces in liquid water. Application to the silica-water interface revealed the emergence of unexpected surface reaction pathways with water. With ab initio molecular dynamics and metadynamics simulations, we uncovered a surface reconstruction, triggered by deprotonation of surface hydroxylated groups, that led to unconventional five-coordinated silicon species. The results help demystify the multimodal chemistry of aqueous silica discovered decades ago, bringing in fresh information that modifies the current understanding. Our study will provide new opportunities for future in-depth physical and chemical characterizations of other oxide-water interfaces., (© 2024. The Author(s), under exclusive licence to Springer Nature Limited.)

Existing methods to compute theoretical spectra are restricted to the use of time-correlation functions evaluated from accurate atomistic molecular dynamics simulations, often at the ab initio level. The molecular interpretation of the computed spectra requires additional steps to deconvolve the spectroscopic contributions from local water and surface structural populations at the interface. The lack of a standard procedure to do this often hampers rationalization. To overcome these challenges, we rewrite the equations for spectra calculation into a sum of partial contributions from interfacial populations, weighted by their abundance at the interface. We show that SFG signatures from each population can be parameterized into a minimum dataset of reference partial spectra. Accurate spectra can then be predicted by just evaluating the statistics of interfacial populations, which can be done even with force field simulations as well as with analytic models. This approach broadens the range of simulation techniques from which theoretical spectra can be calculated, opening toward non-atomistic and Monte Carlo simulation approaches. Most notably, it allows constructing accurate theoretical spectra for interfacial conditions that cannot even be simulated, as we demonstrate for the pH-dependent SFG spectra of silica/water interfaces., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

Peptide-based hydrogels are of interest to biomedical applications. Herein, we have explored the introduction of fluorinated amino acids in hydrogelator H-FQFQFK-NH 2 ( P1 ) to design a series of fluorinated peptide hydrogels and evaluate the in vitro and in vivo properties of the most promising analogues. The impact of fluorinated groups on peptide gelation, secondary structure, and self-assembly processes was assessed. We show that fluorine can significantly improve hydrogel stiffness, compared to the nonfluorinated reference P1 . For P15 (H-FQFQF( o -CF 3 )K-NH 2 ), P18 (H-FQFQF(F 5 )K-NH 2 ), and P19 (H-FQFQM(CF 3 )K-NH 2 ), microscopy studies scrutinized fiber morphologies and alignment in the network. In vitro release studies of hydrogels loaded with an opioid cargo suggested improved hydrogel stability for P15 and P18 . This improved stability was further validated in vivo , notably for P15 , giving the most significant increased gel residence time, with more than 20% of hydrogel still present 9 days post-injection, as monitored by nuclear SPECT-CT imaging.

A comprehensive understanding of chemical composition of cultural heritage materials usually requires several complementary analytical techniques. Given the fragility and value of artworks, minimizing or avoiding sampling and performing in situ analysis under ambient light is an important goal. This article outlines a novel prototype designed to merge LIBS, laser-induced fluorescence spectroscopy (LIF), Raman spectroscopy using a single pulsed laser, and reflectance spectroscopy in a multi-spectroscopic characterization system for cultural heritage analysis (SYSPECTRAL). The aim is to analyze cultural heritage materials in their original place, obtaining both elemental and molecular information at such same point that is not always insured with several separated experimental settings. The SYSPECTRAL system focuses on compactness, mobility, and ease of operation. Software designed for the prototype controls multi-spectroscopic measurements, allows for image capture, precise localization, and data acquisition. Reflectance spectra examined the material and colors at the surface, and the LIBS-LIF-Raman package examines the stratigraphic structure of a multi-layered painted sample., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

We study the spontaneous configuration transitions of an active semi-flexible polymer between spiral and non-spiral states, and show that the configuration dynamics is fully described by a subcritical pitchfork bifurcation. Exploiting the fact that an active polymer barely moves in spiral states and exhibits net displacements in non-spiral states, we theoretically prove that the motion of the active polymer is consistent with a run-and-tumble-like dynamics. Moreover, we find that there exists an optimal self-propelling force that maximizes the diffusion coefficient.

Fibronectin (Fn) is a ubiquitous extracellular matrix (ECM) glycoprotein that acts as an ECM scaffold organizer and is essential in many biological functions, including tissue repair, differentiation or cancer dissemination. Evidence suggests that the amount of Fn changes during aging. However, how these changes influence the aging process remains unclear. This study aims to understand Fn influence on cell aging. First, we assess the relative level of Fn abundance in both different biopsies of skin donors and replicative senescence cellular model. In skin biopsies, we observed that Fn level decreases with aging in the reticular dermis, while its expression remains relatively stable in the papillary dermis, likely to sustain the dermis-epidermis junction. During replicative senescence, in BJ skin fibroblasts, while intracellular Fn increases, we found that secretion and Fn fibrils formation are less effective. Reduced Fn fibrils leads to disorganization of the ECM. This could be explained by the expression of different Fn isoforms observed in the secretome of senescent cells. Surprisingly, the knockdown of Fn delays the onset of senescence while cultivating cells onto a Fn-coated support promotes it. Taken together, these new insights on the role of Fn during aging may emerge new therapeutic strategies on aged-related diseases., Competing Interests: Declaration of competing interest The authors declare that they have no conflict of interest and competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Authors. Published by Elsevier Inc. All rights reserved.)

Conversations encompass continuous exchanges of verbal and nonverbal information. Previous research has demonstrated that gestures dynamically entrain each other and that speakers tend to align their vocal properties. While gesture and speech are known to synchronize at the intrapersonal level, few studies have investigated the multimodal dynamics of gesture/speech between individuals. The present study aims to extend our comprehension of unimodal dynamics of speech and gesture to multimodal speech/gesture dynamics. We used an online dataset of 14 dyads engaged in unstructured conversation. Speech and gesture synchronization was measured with cross-wavelets at different timescales. Results supported previous research on intrapersonal speech/gesture coordination, finding synchronization at all timescales of the conversation. Extending the literature, we also found interpersonal synchronization between speech and gesture. Given that the unimodal and multimodal synchronization occurred at similar timescales, we suggest that synchronization likely depends on the vocal channel, particularly on the turn-taking dynamics of the conversation., Competing Interests: The authors have declared that no competing interests exist., (Copyright: © 2024 Fauviaux et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.)

The discovery of the quantum Hall effect has established the foundation of the field of topological condensed matter physics. An amazingly accurate quantization of the Hall conductance, now enshrined in quantum metrology, is stable against any reasonable perturbation due to its topological protection. Conversely, the latter implies a form of censorship by concealing any local information from the observer. The spatial distribution of the current in a quantum Hall system is such a piece of information, which, thanks to spectacular recent advances, has now become accessible to experimental probes. It is an old question whether the original and intuitively compelling theoretical picture of the current, flowing in a narrow channel along the sample edge, is the physically correct one. Motivated by recent experiments locally imaging quantized current in a Chern insulator (Bi, Sb)[Formula: see text]Te[Formula: see text] heterostructure [Rosen et al., Phys. Rev. Lett. 129 , 246602 (2022); Ferguson et al., Nat. Mater. 22 , 1100-1105 (2023)], we theoretically demonstrate the possibility of a broad "edge state" generically meandering away from the sample boundary deep into the bulk. Further, we show that by varying experimental parameters one can continuously tune between the regimes with narrow edge states and meandering channels, all the way to the charge transport occurring primarily within the bulk. This accounts for various features observed in, and differing between, experiments. Overall, our findings underscore the robustness of topological condensed matter physics, but also unveil the phenomenological richness, hidden until recently by the topological censorship-most of which, we believe, remains to be discovered., Competing Interests: Competing interests statement:The authors declare no competing interest.

Commercially available bioactive glasses (BAGs) are exclusively used in powder form, due to their tendency to crystallize. Silicate BAG 1393 was developed to allow fiber drawing and scaffold sintering, but its slow degradation limits its potential. To enable scaffold manufacturing while maintaining glass dissolution rate close to that of commercially available BAGs, the borosilicate glass 1393B20 was developed. This study investigates the potential of 1393B20 scaffolds to support bone regeneration and mineralization in vitro and in vivo, in comparison to silicate 1393. Both scaffolds supported human adipose stem cells proliferation, either in direct contact for the 1393, or mainly around for the 1393B20. Similarly, both BAGs induced osteogenesis and angiogenesis in vitro, with a better pro-angiogenic influence of the 1393B20. In addition, these scaffolds supported bone regeneration and osteoclast/osteoblast activity in vivo in critical-sized rat calvarial defect. Nevertheless, mineralization and collagen formation were significantly enhanced for the 1393B20, at 3-months post-implantation, assigned to faster and more complete dissolution of the scaffolds. Thus, 1393B20 demonstrates greater promise for bone tissue engineering certainly due to its time-controlled release of boron and silicon. STATEMENT OF SIGNIFICANCE: Bioactive glasses (BAGs) show great promise in bone tissue engineering as they effectively bond with bone tissue, fostering integration and regeneration. Silicate BAG 1393 was developed to allow fiber drawing and scaffold sintering, but its slow degradation limits its potential. To enable scaffold manufacturing while maintaining glass dissolution rate close to that of commercially available BAGs, the borosilicate glass 1393B20 was developed. Both BAGs induced osteogenesis and angiogenesis in vitro, with a better pro-angiogenic influence of the 1393B20. The presence of boron in the 1393B20 enhanced mineralization and collagen formation in vivo compared to 1393, probably due to its faster dissolution rate. Here, 1393B20 demonstrated greater promise for bone tissue engineering compared to the well-known 1393 BAG., Competing Interests: Declaration of competing interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: Jonathan Massera reports financial support was provided by Research Council of Finland. If there are other authors, they declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Author(s). Published by Elsevier Ltd.. All rights reserved.)

Hepatic spheroids are of high interest in basic research, drug discovery and cell therapy. Existing methods for spheroid culture present advantages and drawbacks. An alternative technology is explored: the hepatic spheroid formation and culture in an acoustofluidic chip, using HepaRG cell line. Spheroid formation and morphology, cell viability, genetic stability, and hepatic functions are analyzed after 6 days of culture in acoustic levitation. They are compared to 2D culture and non-levitated 3D cultures. Sizes of the 25 spheroids created in a single acoustofluidic microphysiological system are homogeneous. The acoustic parameters in our system do not induce cell mortality nor DNA damage. Spheroids are cohesive and dense. From a functional point of view, hepatic spheroids obtained by acoustic levitation exhibit polarity markers, secrete albumin and express hepatic genes at higher levels compared to 2D and low attachment 3D cultures. In conclusion, this microphysiological system proves not only to be suitable for long-term culture of hepatic spheroids, but also to favor differentiation and functionality within 6 days of culture., (© 2024. The Author(s).)

Chiral active materials display odd dynamical effects in both their elastic and viscous responses. We show that the most symmetric mesophase with 2D odd elasticity in three dimensions is chiral, polar, and columnar, with 2D translational order in the plane perpendicular to the columns and no elastic restoring force for their relative sliding. We derive its hydrodynamic equations from those of a chiral active variant of model H. The most striking prediction of the odd dynamics is two distinct types of column oscillation whose frequencies do not vanish at zero wavenumber. In addition, activity leads to a buckling instability coming from the generic force-dipole active stress analogous to the mechanical Helfrich-Hurault instability in passive materials, while the chiral torque-dipole active stress fundamentally modifies the instability by the selection of helical column undulations., (© The Author(s) 2024. Published by Oxford University Press on behalf of National Academy of Sciences.)

We measure the light-driven response of a magnetic multilayer structure made of thin alternating layers of cobalt and platinum at the few-femtosecond timescale. Using attosecond magnetic circular dichroism, we observe how light rearranges the magnetic moment during and after excitation. The results reveal a sub-5 fs spike of magnetization in the platinum layer, which follows the shape of the driving pulse. With the help of time-dependent density functional theory, we interpret the observations as light-driven spin injection across the metallic layers of the structure. The light-triggered spin current is strikingly short, largely outpacing decoherence and dephasing. The findings suggest that the ability of shaping light fields in refined ways could be translated into shaping new forms of spin currents in materials.

Since the last decade, the need for deformable electronics exponentially increased, requiring adaptive energy storage systems, especially batteries and supercapacitors. Thus, the conception and elaboration of new deformable electrolytes becomes more crucial than ever. Among diverse materials, gel polymer electrolytes (hydrogels, organogels, and ionogels) remain the most studied thanks to the ability to tune the physicochemical and mechanical properties by changing the nature of the precursors, the type of interactions, and the formulation. Nevertheless, the exploitation of this category of electrolyte as a possible commercial product is still restrained, due to different issues related to the nature of the gels (ionic conductivity, evaporation of filling solvent, toxicity, etc.). Therefore, this review aims to resume different strategies to tailor the properties of the gel polymer electrolytes as well as to provide recent advancements in the field toward the elaboration of deformable batteries and supercapacitors.

A social individual needs to effectively manage the amount of complex information in his or her environment relative to his or her own purpose to obtain relevant information. This paper presents a neural architecture aiming to reproduce attention mechanisms (alerting/orienting/selecting) that are efficient in humans during audiovisual tasks in robots. We evaluated the system based on its ability to identify relevant sources of information on faces of subjects emitting vowels. We propose a developmental model of audio-visual attention (MAVA) combining Hebbian learning and a competition between saliency maps based on visual movement and audio energy. MAVA effectively combines bottom-up and top-down information to orient the system toward pertinent areas. The system has several advantages, including online and autonomous learning abilities, low computation time and robustness to environmental noise. MAVA outperforms other artificial models for detecting speech sources under various noise conditions., (© 2024. The Author(s).)

A chemistry module has been implemented in Geant4-DNA since Geant4 version 10.1 to simulate the radiolysis of water after irradiation. It has been used in a number of applications, including the calculation of G-values and early DNA damage, allowing the comparison with experimental data. Since the first version, numerous modifications have been made to the module to improve the computational efficiency and extend the simulation to homogeneous kinetics in bulk solution. With these new developments, new applications have been proposed and released as Geant4 examples, showing how to use chemical processes and models. This work reviews the models implemented and application developments for modeling water radiolysis in Geant4-DNA as reported in the ESA BioRad III Project., (© 2024 American Association of Physicists in Medicine.)

Ovarian cancer is the most lethal gynecologic cancer in developed countries. In the tumor microenvironment, the extracellular matrix (ECM) and flow shear stress are key players in directing ovarian cancer cells invasion. Artificial ECM models based only on ECM proteins are used to build an ovarian tumor-on-chip to decipher the crosstalk between ECM and shear stress on the migratory behavior and cellular heterogeneity of ovarian tumor cells. This work shows that in the shear stress regime of the peritoneal cavity, the ECM plays a major role in driving individual or collective ovarian tumor cells migration. In the presence of basement membrane proteins, migration is more collective than on type I collagen regardless of shear stress. With increasing shear stress, individual cell migration is enhanced; while, no significant impact on collective migration is measured. This highlights the central position that ECM and flow shear stress should hold in in vitro ovarian cancer models to deepen understanding of cellular responses and improve development of ovarian cancer therapeutic platforms. In this frame, adding flow provides significant improvement in biological relevance over the authors' previous work. Further steps for enhanced clinical relevance require not only multiple cell lines but also patient-derived cells and sera., (© 2024 Wiley‐VCH GmbH.)

Objectives: to evaluate the relative risk of smoking cessation treatment dropout during its intensive phase., Methods: a retrospective and quantitative cohort study was developed from the electronic medical records of individuals who started smoking cessation treatment between 2015 and 2019 at a specialty clinic in a city in the interior of São Paulo, Brazil. The relative risk of dropping out of treatment was calculated using the Poisson regression model., Results: it was observed that out of the 396 (100.0%) individuals who started the treatment, 109 (27.5%) abandoned it before the end of the intensive phase. For each one-year increase in age, the risk of dropping out of smoking cessation treatment decreased by an average of 2%., Conclusions: the risk of dropping out of smoking cessation treatment is higher among younger individuals. It is necessary to rethink the care offered to younger adults to promote the continuity of treatment.

Protein nanopores have proven to be effective for single-molecule studies, particularly for single-stranded DNA (ssDNA) translocation. Previous experiments demonstrated their ability to distinguish differences in purine and pyrimidine bases and in the orientation of the ssDNA molecule inside nanopores. Unfortunately, the microscopic details of ssDNA translocation over experimental time scales, which are not accessible through all-atom molecular dynamics (MD), have yet to be examined. However, coarse-grained (CG) MD simulations enable systems to be simulated over longer characteristic times closer to experiments than all-atom MD. This paper studies ssDNA translocation through α-hemolysin nanopores exploiting steered MD using the MARTINI CG force field. The impacts of the sequence length, orientation inside the nanopore and DNA charges on translocation dynamics as well as the conformational dynamics of ssDNA during the translocation are explored. Our results highlight the efficacy of CG molecular dynamics in capturing the experimental properties of ssDNA translocation, including a wide distribution in translocation times per base. In particular, the phosphate charges of the DNA molecule are crucial in the translocation dynamics and impact the translocation rate. Additionally, the influence of the ssDNA molecule orientation on the translocation rate is explained by the conformational differences of ssDNA inside the nanopore during its translocation. Our study emphasizes the significance of obtaining sufficient statistics via CG MD, which can elucidate the great variety of translocation processes.

The management of extensive tracheal resection followed by circumferential replacement remains a surgical challenge. Numerous techniques are proposed with mixed results. Partial decellularization of the trachea with the removal of the mucosal and submucosal cells is a promising method, reducing immunogenicity while preserving the biomechanical properties of the final matrix. Despite many research protocols and proofs of concept, no standardized clinical grade protocol is described. Furthermore, local and systemic biointegration mechanisms of decellularized trachea are not well known. Therefore, in a translational research perspective, this work set up a partial tracheal decellularization protocol in line with Cell and Tissue Products regulations. Extensive characterization of the final product is performed in vitro and in vivo. The results show that the Partially Decellularized Trachea (PDT) is cell-free in the mucosa and submucosa, while the cartilage structure is preserved, maintaining the biomechanical properties of the trachea. When implanted in the muscle in vivo for 28 days, no systemic inflammation is observed, and locally, the PDT shows an excellent biointegration and vascularization. No signs of graft rejection are observed. These encouraging results confirmed the efficacy of the clinical grade PDT production protocol, which is an important step for future clinical applications., (© 2024 The Author(s). Advanced Biology published by Wiley‐VCH GmbH.)

This study evaluates an innovative control approach to assistive robotics by integrating brain-computer interface (BCI) technology and eye tracking into a shared control system for a mobile augmented reality user interface. Aimed at enhancing the autonomy of individuals with physical disabilities, particularly those with impaired motor function due to conditions such as stroke, the system utilizes BCI to interpret user intentions from electroencephalography signals and eye tracking to identify the object of focus, thus refining control commands. This integration seeks to create a more intuitive and responsive assistive robot control strategy. The real-world usability was evaluated, demonstrating significant potential to improve autonomy for individuals with severe motor impairments. The control system was compared with an eye-tracking-based alternative to identify areas needing improvement. Although BCI achieved an acceptable success rate of 0.83 in the final phase, eye tracking was more effective with a perfect success rate and consistently lower completion times (p<0.001). The user experience responses favored eye tracking in 11 out of 26 questions, with no significant differences in the remaining questions, and subjective fatigue was higher with BCI use (p=0.04). While BCI performance lagged behind eye tracking, the user evaluation supports the validity of our control strategy, showing that it could be deployed in real-world conditions and suggesting a pathway for further advancements.

This study introduces a novel approach for chloride recognition utilizing multifunctional naphthalene-based receptors. By strategically modifying the substitution patterns on tetrafluoropyridines, a series of new receptors with customized cavities and enhanced binding capabilities were developed. Density functional theory (DFT) calculations and experimental studies combining NMR spectroscopy and mass spectrometry confirmed the efficacy of these receptors in capturing chloride ions. The relative chloride affinity order determined experimentally is in agreement with DFT predictions. The synergistic effect of anion-π and C-H…Cl interactions, mediated by the TFP groups, played a crucial role in achieving high binding affinity. This work provides valuable insights for designing future anion receptors with improved performance., (© 2024 The Authors. ChemPlusChem published by Wiley-VCH GmbH.)

The development and the use of fluorinated polyproline-type II (PPII) foldamers are still underexplored. Herein, trifluoromethyl pseudoprolines have been incorporated into polyproline backbones without affecting their PPII helicity. The ability of the trifluoromethyl groups to increase hydrophobicity and to act as 19 F NMR probes is demonstrated. Moreover, the enzymatic stability and the non-cytotoxicity of these fluorinated foldamers make them valuable templates for use in medicinal chemistry.

Brain-computer interfaces (BCI) enable users to control devices through their brain activity. Motor imagery (MI), the neural activity resulting from an individual imagining performing a movement, is a common control paradigm. This study introduces a user-centric evaluation protocol for assessing the performance and user experience of an MI-based BCI control system utilizing augmented reality. Augmented reality is employed to enhance user interaction by displaying environment-aware actions, and guiding users on the necessary imagined movements for specific device commands. One of the major gaps in existing research is the lack of comprehensive evaluation methodologies, particularly in real-world conditions. To address this gap, our protocol combines quantitative and qualitative assessments across three phases. In the initial phase, the BCI prototype's technical robustness is validated. Subsequently, the second phase involves a performance assessment of the control system. The third phase introduces a comparative analysis between the prototype and an alternative approach, incorporating detailed user experience evaluations through questionnaires and comparisons with non-BCI control methods. Participants engage in various tasks, such as object sorting, picking and placing, and playing a board game using the BCI control system. The evaluation procedure is designed for versatility, intending applicability beyond the specific use case presented. Its adaptability enables easy customization to meet the specific user requirements of the investigated BCI control application. This user-centric evaluation protocol offers a comprehensive framework for iterative improvements to the BCI prototype, ensuring technical validation, performance assessment, and user experience evaluation in a systematic and user-focused manner., Competing Interests: MO and BV were employed by imec. The remaining authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2024 Dillen, Omidi, Díaz, Ghaffari, Roelands, Vanderborght, Romain and De Pauw.)

Anyons are exotic low-dimensional quasiparticles whose unconventional quantum statistics extend the binary particle division into fermions and bosons. The fractional quantum Hall regime provides a natural host, with the first convincing anyon signatures recently observed through interferometry and cross-correlations of colliding beams. However, the fractional regime is rife with experimental complications, such as an anomalous tunneling density of states, which impede the manipulation of anyons. Here we show experimentally that the canonical integer quantum Hall regime can provide a robust anyon platform. Exploiting the Coulomb interaction between two copropagating quantum Hall channels, an electron injected into one channel splits into two fractional charges behaving as abelian anyons. Their unconventional statistics is revealed by negative cross-correlations between dilute quasiparticle beams. Similarly to fractional quantum Hall observations, we show that the negative signal stems from a time-domain braiding process, here involving the incident fractional quasiparticles and spontaneously generated electron-hole pairs. Beyond the dilute limit, a theoretical understanding is achieved via the edge magnetoplasmon description of interacting integer quantum Hall channels. Our findings establish that, counter-intuitively, the integer quantum Hall regime provides a platform of choice for exploring and manipulating quasiparticles with fractional quantum statistics., (© 2024. The Author(s).)

To understand the onset of collective motion, we investigate active systems where particles switch on and off their self-propulsion. We prove that even when the only possible transition is off→on, an active two-state system behaves as an effective three-state (inactive/passive) system that exhibits a sharp phase transition in 1D, and critical behavior in 2D, with scale-invariant activity avalanches. The obtained results show how criticality can naturally emerge in active systems, providing insight into the way collectives distribute, process, and respond to local environmental cues.

At least one-third of patients with epithelial ovarian cancer (OC) present ascites at diagnosis and almost all have ascites at recurrence especially because of the propensity of the OC cells to spread in the abdominal cavity leading to peritoneal metastasis. The influence of ascites on the development of pre-metastatic niches, and on the biological mechanisms leading to cancer cell colonization of the mesothelium, remains poorly understood. Here, we show that ascites weakens the mesothelium by affecting the morphology of mesothelial cells and by destabilizing their distribution in the cell cycle. Ascites also causes destabilization of the integrity of mesothelium by modifying the organization of cell junctions, but it does not affect the synthesis of N-cadherin and ZO-1 by mesothelial cells. Moreover, ascites induces disorganization of focal contacts and causes actin cytoskeletal reorganization potentially dependent on the activity of Rac1. Ascites allows the densification and reorganization of ECM proteins of the mesothelium, especially fibrinogen/fibrin, and indicates that it is a source of the fibrinogen and fibrin surrounding OC spheroids. The fibrin in ascites leads to the adhesion of OC spheroids to the mesothelium, and ascites promotes their disaggregation followed by the clearance of mesothelial cells. Both αV and α5β1 integrins are involved. In conclusion ascites and its fibrinogen/fibrin composition affects the integrity of the mesothelium and promotes the integrin-dependent implantation of OC spheroids in the mesothelium., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 CY Cergy Paris University. Published by Elsevier Inc. All rights reserved.)

The coagulation of rare-gas atoms (RG = Ne, Ar, Kr, Xe, and Rn) in helium nanodroplets (HNDs) composed of 1000 atoms is investigated by zero-point averaged dynamics where a He-He pseudopotential is used to make the droplet liquid with proper energies. This method reproduces the qualitative abundances of embedded Arn+1 structures obtained by Time-Dependent Density Functional Theory and Ring Polymer Molecular Dynamics for Ar + ArnHe1000 collisions at realistic projectile speeds and impact parameters. More generally, coagulation is found to be much more efficient for heavy rare-gases (Xe and Rn) than for light ones (Ne and Ar), a behavior mainly attributed to a slower energy dissipation of the projectile in the HND. When coagulation does not occur, the projectile maintains a speed of 10-30 m s-1 within the HND, but its velocity vector is rarely oriented toward the dopant, and the projectile roams in a limited region of the droplet. The structure of embedded RGn+1 clusters does not systematically match their gas-phase global minimum structure, and more than 30% of RGn-RG unbound structures are due to one He atom located in between the projectile and a dopant atom., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

The aim of our study was to identify burnout profiles among pediatric nurses and physicians, and their specificities concerning sociodemographic characteristics, occupational stress, stress specific to pediatric caregivers, and coping. Conducted on a sample of 195 French pediatric health care professionals, a cluster analysis showed 2 endpoint profiles (Engagement, Burnout) and 3 intermediate profiles (Overextended, Disengaged, Ineffective). The Burnout profile showed the highest median scores on hours worked per week, occupational stress, stress related to working conditions, and relationships with colleagues and superiors. The Overextended profile reported more stress related to working conditions than did other intermediate profiles. The Disengaged profile showed the second lowest median score on stress related to relationships with colleagues and superiors and less social support-seeking than other profiles. The Ineffective profile used less problem-focused coping than the Engagement and intermediate profiles. Intervention for the well-being of these professionals should focus primarily on improving their working conditions., Competing Interests: Declaration of Conflicting InterestsThe author(s) declared no potential conflicts of interest with respect to the research, authorship, and/or publication of this article.

In this study, we present the development of two catalytic processes: a Pd-PEPPSI-catalyzed aminocarbonylation and a Pd(OAc) 2 -Xantphos-catalyzed alkoxycarbonylation of d-glycals, utilizing carbonylative cross-coupling reactions. We explored successfully various types of aromatic amines, as well as alkyl amines and amino acids, to synthesize new d-glycal amides. However, we observed limitations in the reactivity of alkyl and heteroaromatic amines. The processes enabled the synthesis of 20 novel C1-branched glycoamides and 7 new d-gluco esters., Competing Interests: The authors declare no competing financial interest., (© 2024 The Authors. Published by American Chemical Society.)

This roadmap reviews the new, highly interdisciplinary research field studying the behavior of condensed matter systems exposed to radiation. The Review highlights several recent advances in the field and provides a roadmap for the development of the field over the next decade. Condensed matter systems exposed to radiation can be inorganic, organic, or biological, finite or infinite, composed of different molecular species or materials, exist in different phases, and operate under different thermodynamic conditions. Many of the key phenomena related to the behavior of irradiated systems are very similar and can be understood based on the same fundamental theoretical principles and computational approaches. The multiscale nature of such phenomena requires the quantitative description of the radiation-induced effects occurring at different spatial and temporal scales, ranging from the atomic to the macroscopic, and the interlinks between such descriptions. The multiscale nature of the effects and the similarity of their manifestation in systems of different origins necessarily bring together different disciplines, such as physics, chemistry, biology, materials science, nanoscience, and biomedical research, demonstrating the numerous interlinks and commonalities between them. This research field is highly relevant to many novel and emerging technologies and medical applications.

We present a novel classical algorithm designed to learn the stabilizer group-namely, the group of Pauli strings for which a state is a ±1 eigenvector-of a given matrix product state (MPS). The algorithm is based on a clever and theoretically grounded biased sampling in the Pauli (or Bell) basis. Its output is a set of independent stabilizer generators whose total number is directly associated with the stabilizer nullity, notably a well-established nonstabilizer monotone. We benchmark our method on T-doped states randomly scrambled via Clifford unitary dynamics, demonstrating very accurate estimates up to highly entangled MPS with bond dimension χ∼10^{3}. Our method, thanks to a very favorable scaling O(χ^{3}), represents the first effective approach to obtain a genuine magic monotone for MPS, enabling systematic investigations of quantum many-body physics out of equilibrium.

Experimental and computational chemistry are two disciplines used to conduct research in astrochemistry, providing essential reference data for both astronomical observations and modeling. These approaches not only mutually support each other, but also serve as complementary tools to overcome their respective limitations. Leveraging on such synergy, we characterized the binding energies (BEs) of ethanol (CH 3 CH 2 OH) and ethylamine (CH 3 CH 2 NH 2 ), two interstellar complex organic molecules (iCOMs), on crystalline and amorphous water ices through density functional theory (DFT) calculations and temperature-programmed desorption (TPD) experiments. Experimentally, CH 3 CH 2 OH and CH 3 CH 2 NH 2 behave similarly, in which desorption temperatures are higher on the water ices than on a bare gold surface. Computed cohesive energies of pure ethanol and ethylamine bulk structures allow describing of the BEs of the pure species deposited on the gold surface, as extracted from the TPD curve analyses. The BEs of submonolayer coverages of CH 3 CH 2 OH and CH 3 CH 2 NH 2 on the water ices cannot be directly extracted from TPD due to their co-desorption with water, but they are computed through DFT calculations, and found to be greater than the cohesive energy of water. The behaviour of CH 3 CH 2 OH and CH 3 CH 2 NH 2 is different when depositing adsorbate multilayers on the amorphous ice, in that, according to their computed cohesive energies, ethylamine layers present weaker interactions compared to ethanol and water. Finally, from the computed BEs of ethanol, ethylamine and water, we can infer that the snow-lines of these three species in protoplanetary disks will be situated at different distances from the central star. It appears that a fraction of ethanol and ethylamine is already frozen on the grains in the water snow-lines, causing their incorporation in water-rich planetesimals.

The ever-growing need for new tissue and organ replacement approaches paved the way for tissue engineering. Successful tissue regeneration requires an appropriate scaffold, which allows cell adhesion and provides mechanical support during tissue repair. In this light, an interpenetrating polymer network (IPN) system based on biocompatible polysaccharides, dextran (Dex) and gellan (Ge), was designed and proposed as a surface that facilitates cell adhesion in tissue engineering applications. The new matrix was developed in glycerol, an unconventional solvent, before the chemical functionalization of the polymer backbone, which provides the system with enhanced properties, such as increased stiffness and bioadhesiveness. Dex was modified introducing methacrylic groups, which are known to be sensitive to UV light. At the same time, Ge was functionalized with RGD moieties, known as promoters for cell adhesion. The printability of the systems was evaluated by exploiting the ability of glycerol to act as a co-initiator in the process, speeding up the kinetics of crosslinking. Following semi-IPNs formation, the solvent was removed by extensive solvent exchange with HEPES and CaCl 2 , leading to conversion into IPNs due to the ionic gelation of Ge chains. Mechanical properties were investigated and IPNs ability to promote osteoblasts adhesion was evaluated on thin-layer, 3D-printed disk films. Our results show a significant increase in adhesion on hydrogels decorated with RGD moieties, where osteoblasts adopted the spindle-shaped morphology typical of adherent mesenchymal cells. Our findings support the use of RGD-decorated Ge/Dex IPNs as new matrices able to support and facilitate cell adhesion in the perspective of bone tissue regeneration., (© 2024 Wiley Periodicals LLC.)

The retinal pigment epithelium (RPE), a multifunctional cell monolayer located at the back of the eye, plays a crucial role in the survival and homeostasis of photoreceptors. Dysfunction or death of RPE cells leads to retinal degeneration and subsequent vision loss, such as in Age-related macular degeneration and some forms of Retinitis Pigmentosa. Therefore, regenerative medicine that aims to replace RPE cells by new cells obtained from the differentiation of human pluripotent stem cells, is the focus of intensive research. However, despite their critical interest in therapy, there is a lack of biomechanical RPE surface description. Such biomechanical properties are tightly related to their functions. Herein, we used atomic force microscopy (AFM) to analyze both the structural and mechanical properties of RPEs obtained from four cell lines and at different stages of epithelial formation. To characterize epitheliums, we used apical markers in immunofluorescence and showed the increase of transepithelial resistance, as well as the ability to secrete cytokines with an apico-basal polarity. Then, we used AFM to scan the apical surface of living or fixed RPE cells. We show that RPE monolayers underwent softening of apical cell center as well as stiffening of cell borders over epithelial formation. We also observed apical protrusions that depend on actin network, suggesting the formation of microvilli at the surface of RPE epitheliums. These RPE cell characteristics are essential for their functions into the retina and AFM studies may improve the characterization of the RPE epithelium suitable for cell therapy., (© 2024. The Author(s).)

Polypropylene fiber reinforcement is an effective method to enhance the durability of concrete structures. With the increasing public interest in the widespread use of polypropylene fiber reinforced concrete (PFRC), the necessity of evaluating the mechanism of polypropylene fiber (PF) on the permeability of concrete has become prominent. This paper describes the influence of PF on the concrete permeability exposed to freeze-thaw cycles under compressive and tensile stress. The permeability of PFRC under compressive and tensile loads is accurately measured by a specialized permeability setup. The permeability of PFRC under compressive and tensile loads, the volume change of PFRC under compressive load, and the relationship between compressive stress levels at minimum permeability and minimum volume points of PFRC are discussed. The results indicate that the addition of PF adversely affects the permeability of concrete without freeze-thaw damage and cracks. However, it decreases the permeability of concrete specimens exposed to freeze-thaw cycles and cracking. Under compressive load, the permeability of PFRC initially decreases slowly and follows by a significant increase as the compressive stress level increases. This phenomenon correlates with the volume change of the specimen. The compressive stress level of the minimum permeability point and compressive stress level of the minimum volume point of PFRC exhibit a linear correlation, with a fitted proportional function parameter γ ≈ 0.98872. Under tensile load, the permeability of PFRC increases gradually with radial deformation and follows by a significant increase. The strain-permeability curves of PFRC under loading are studied and consist of two stages. In stage I, the permeability of PFRC gradually decreases with the increase of strain under compressive load, while the permeability increases with the increase of strain under tensile load. In stage II, under compressive load, the permeability of PFRC increases with the increase of freeze-thaw cycles, whereas under tensile load, the permeability gradually decreases with the increase of freeze-thaw cycles. The reduction of PF on the permeability of PFRC under tensile load is greater than that under compressive load. In future research, the relationship between strain and permeability of PFRC can be integrated with its constitutive relationship between stress and strain to provide a reference for the application of PF in the waterproofing of concrete structures.

We consider one-dimensional interacting quantum fluids, such as the Lieb-Liniger gas. By computing the low-temperature limit of its (generalized) hydrodynamics we show how in this limit the gas is well described by a conventional viscous (Navier-Stokes) hydrodynamics for density, fluid velocity, and the local temperature, and the other generalized temperatures in the case of integrable gases. The dynamic viscosity is proportional to temperature and can be expressed in a universal form only in terms of the emergent Luttinger liquid parameter K and its density. We show that the heating factor is finite even in the zero temperature limit, which implies that viscous contribution remains relevant also at zero temperatures. Moreover, we find that in the semiclassical limit of small couplings, kinematic viscosity diverges, reconciling with previous observations of Kardar-Parisi-Zhang fluctuations in mean-field quantum fluids.

Touch DNA, which can be found at crime scenes, consists of invisible biological traces deposited through a person's skin's contact with an object or another person. Many factors influence touch DNA transfer, including the "destination" substrate's surface. The latter's physicochemical characteristics (wettability, roughness, surface energy, etc.) will impact touch DNA deposition and persistence on a substrate. We selected a representative panel of substrates from objects found at crime scenes (glass, polystyrene, tiles, raw wood, etc.) to investigate the impact of these characteristics on touch DNA deposition and detection. These were shown to impact cell deposition, morphology, retention, and subsequent touch DNA genetic analysis. Interestingly, cell-derived fragments found within keratinocyte cells and fingermarks using in vitro touch DNA models could be successfully detected whichever the substrates' physicochemistry by targeting cellular proteins and carbohydrates for two months, indoors and outdoors. However, swabbing and genetic analyses of such mock traces from different substrates produced informative profiles mainly for substrates with the highest surface free energy and therefore the most hydrophilic. The substrates' intrinsic characteristics need to be considered to better understand both the transfer and persistence of biological traces, as well as their detection and collection, which require an appropriate methodology and sampling device to get informative genetic profiles., (© 2024. The Author(s).)

Doping is a crucial strategy to enhance the performance of various organic electronic devices. However, in many cases, the random distribution of dopants in conjugated polymers leads to the disruption of the polymer microstructure, severely constraining the achievable performance of electronic devices. Here, it is shown that by ion-exchange doping polythiophene-based P[(3HT) 1-x -stat-(T) x ] (x = 0 (P1), 0.12 (P2), 0.24 (P3), and 0.36 (P4)), remarkably high electrical conductivity of >400 S cm -1 and power factor of >16 µW m -1  K -2 are achieved for the random copolymer P3, ranking it among highest ever reported for unaligned P3HT-based films, significantly higher than that of P1 (<40 S cm -1 , <4 µW m -1  K -2 ). Although both polymers exhibit comparable field-effect transistor hole mobilities of ≈0.1 cm 2  V -1  s -1 in the pristine state, after doping, Hall effect measurements indicate that P3 exhibits a large Hall mobility up to 1.2 cm 2  V -1  s -1 , significantly outperforming that of P1 (0.06 cm 2  V -1  s -1 ). GIWAXS measurement determines that the in-plane π-π stacking distance of doped P3 is 3.44 Å, distinctly shorter than that of doped P1 (3.68 Å). These findings contribute to resolving the long-standing dopant-induced-disorder issues in P3HT and serve as an example for achieving fast charge transport in highly doped polymers for efficient electronics., (© 2024 The Authors. Advanced Materials published by Wiley‐VCH GmbH.)

The formation of imogolite nanotubes is reported to be a kinetic process involving intermediate roof-tile nanostructures. Here, the structural evolution occurring during the synthesis of aluminogermanate double-walled imogolite nanotubes is in situ monitored, thanks to an instrumented autoclave allowing the control of the temperature, the continuous measurement of pH and pressure, and the regular sampling of gas and solution. Chemical analyses confirm the completion of the precursor's conversion with the release of CO 2 , ethanol, and dioxane as main side products. The combination of microscopic observations, infrared, and absorption spectroscopies with small and wide-angle X-ray scattering experiments unravel a unique growth mechanism implying transient single-walled nanotubes instead of the self-assembly of stacked proto-imogolite tiles. The growth formation of these transient nanotubes is followed at the molecular level by Quick-X-ray absoprtion specotrscopy experiments. Multivariate data analysis evidences that the near neighboring atomic environment of Ge evolves from monotonous to a more complex one as the reaction progresses. The following transformation into a double-walled nanotube takes place at a nearly constant mean radius, as demonstrated by the simulation of X-ray scattering diagrams. Overall, transient nanotubes appear to serve for the anchoring of a new wall, corresponding to a mechanism radically different from that proposed in the literature., (© 2024 The Authors. Small published by Wiley‐VCH GmbH.)

In the construction industry, environmental behavior of aggregates has been monitored thanks to leaching tests, especially for alternative aggregates obtained from waste (e.g., construction and demolition waste, MSWI). Few studies were carried on the leaching behavior of natural aggregates, which are often not regulated for their substance release in most EU member states (as France). Leachable content of some heavy metals, halides, and sulfates on natural aggregates was investigated using up-flow percolation test EN 16637-3 and compared to threshold values. Only three samples (NS2, NG1, and NG8) show one element which exceeded threshold values (As, Zn, As, respectively), among the 19 natural aggregates tested for leaching. In this study, three natural aggregates (NG1, NS1, NS2) have been chosen because of their measurable leaching values. Total content was obtained through acid digestion. Influence of grain size on leaching results was investigated. Predominant release mechanisms were determined using EN 16637-3 - Annex D, based on percolation results such as pH, electrical conductivity, and leached content, and were then discussed. Detailed results for releases of As, Ba, Ni, Zn, SO 4 2- , and F - were investigated. EN 16637-3 - Annex D shows some limits, especially for trace elements. The pH was found to be one of the most important factors influencing leaching release of most elements, being more important than grain size. By comparing total content with released quantities, it has been shown that As and Mo in NS2 are easily leached, hence present in a very soluble chemical form. Determining release mechanisms accurately in this study seems only possible for elements present in significant amounts., (© 2024. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

The Belousov-Zhabotinsky (BZ) reaction has long been a paradigmatic system for studying chemical oscillations. Here, we experimentally studied the synchronization control within photochemically coupled star networks of BZ oscillators. Experiments were carried out in wells performed in soda-lime glass constructed using novel laser technologies. Utilizing the inherent oscillatory nature of the BZ reaction, we engineered a star network of oscillators interconnected through photochemical inhibitory coupling. Furthermore, the experimental setup presented here could be extrapolated to more complex network architectures with both excitatory and inhibitory couplings, contributing to the fundamental understanding of synchronization in complex systems.

Ab initio molecular dynamics simulations are used to investigate the fragmentation dynamics following the double ionization of 2-deoxy-D-ribose (DR), a major component in the DNA chain. Different ionization scenarios are considered to provide a complete picture. First focusing on isolated DR 2+ , fragmentation patterns are determined for the ground electronic state, adding randomly distributed excitation energy to the nuclei. These patterns differ for the two isomers studied. To compare thermal and electronic excitation effects, Ehrenfest dynamics are also performed, allowing to remove the two electrons from selected molecular orbitals. Two intermediate-energy orbitals, localized on the carbon chain, were selected. The dissociation pattern corresponds to the most frequent pattern obtained when adding thermal excitation. On the contrary, targeting the four deepest orbitals, localized on the oxygen atoms, leads to selective ultrafast C-O and/or O-H bond dissociation. To probe the role of environment, a system consisting of a DR molecule embedded in liquid water is then studied. The two electrons are removed from either the DR or the water molecules directly linked to the sugar through hydrogen bonds. Although the dynamics onset is similar to that of isolated DR when removing the same deep orbitals localized on the sugar oxygen atoms, the subsequent fragmentation patterns differ. Sugar damage also occurs following the Coulomb explosion of neighboring H 2 O 2+ molecules due to interaction with the emitted O or H atoms.

Oligomers of the achiral α-aminoisobutyric acid (Aib) adopt a 3 10 helical conformation in which the screw-sense preference can be controlled by a single chiral residue. The use of the fluorinated residue α-Trifluoromethylalanine (α-TfmAla) revealed a unique way to both induce and measure the screw-sense preference of such oligomers acting as 19 F NMR probe. This work proposes a systematic study of the effect of this fluorinated chiral inducer on the helical screw-sense preference of poly-Aib oligomers. The impact of the position of the fluorinated residue into pentamers (N-terminal, central or C-terminal) as well as the nature of the C-terminal capping of the peptides was thoroughly studied in light of complete structural analysis. A deeper understanding of the fluorine effect was achieved confirming the unique ability of α-TfmAla as a helical screw-sense controller., (© 2024 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH.)

Until now, no fast, low-cost, and direct technique exists to identify and detect protein/peptide enantiomers, because their mass and charge are identical. They are essential since l- and d-protein enantiomers have different biological activities due to their unique conformations. Enantiomers have potential for diagnostic purposes for several diseases or normal bodily functions but have yet to be utilized. This work uses an aerolysin nanopore and electrical detection to identify vasopressin enantiomers, l-AVP and d-AVP, associated with different biological processes and pathologies. We show their identification according to their conformations, in either native or reducing conditions, using their specific electrical signature. To improve their identification, we used a principal component analysis approach to define the most relevant electrical parameters for their identification. Finally, we used the Monte Carlo prediction to assign each event type to a specific l- or d-AVP enantiomer., Competing Interests: The authors declare no competing financial interest., (© 2024 The Authors. Published by American Chemical Society.)

This paper describes hybrid fiber's influence on the crack permeability of cracked concrete exposed to freeze-thaw cycles. A permeability setup and a laser-scanning setup have been designed to measure the crack permeability and the fractured surface roughness of cracked hybrid fiber-reinforced concrete, containing polypropylene fiber and steel fiber, under a splitting tensile load. The results show that, when the effective crack width of the specimens is less than 25 μm, the rough crack surface significantly reduces the concrete's crack permeability. As the crack width increases, the effect of the concrete crack surface on crack permeability gradually decreases, and the crack permeability of the concrete is closer to the Poiseuille flow model. The permeability parameter α derived from the Poiseuille flow model is effective for assessing the crack permeability of concrete. Compared to the modified factor ξ of crack permeability, the permeability parameter α can effectively evaluate and quantify the development trend of crack permeability within a certain range of crack widths. The permeability parameter α of SF20PP2.3, subjected to the same freeze-thaw cycles, decreases by 16.3-94.8% compared to PP4.6 and SF40, and SF20PP2.3 demonstrates a positive synergistic effect on the crack impermeability of cracked concrete. The crack impermeability of SF40PP2.3, subjected to the same freeze-thaw cycles, lies between that of PP6.9 and SF60. The roughness of crack surface (X) and the crack permeability (Y) are highly correlated and follow an exponential curve (Y = 1.0415 × 10 7 ·e -6.025·X ) in concrete. This demonstrates that hybrid fibers enhance crack impermeability by increasing the crack surface roughness. Furthermore, the combination of polypropylene fiber and steel fiber effectively promotes the formation of micro-cracks and facilitates the propagation of multiple cracks in the concrete matrix. This combination increases the head loss of water flow through the concrete and decreases the crack permeability.