Step In Formation Research Articles

Impurity-induced step pinning and recovery in MOVPE-grown (100) β-Ga2O3 film

This study focuses on the impact of high-doping impurities (>1018 cm−3) on the morphology of homoepitaxially grown (100) 4° off β-Ga2O3 film, as well as incorporating insights from the Cabrera–Vermilyea model (C–V model). Using atomic force microscopy imaging, we reveal that under low-supersaturation conditions, dopant-induced impurities lead to irregular step formation and growth stalling, inducing the step-bunching formation consistent with C–V model predictions. Conversely, higher supersaturation conditions restore desired step-flow morphology, resembling low-impurity growth states. It is also shown that the step-bunching formed under lower supersaturation conditions and high-impurity concentration might induce unwanted structural defects and compensate the free carriers. These findings underscore the delicate interplay between dopant concentrations, growth morphology, and supersaturation in metalorganic vapor phase epitaxy-grown (100) β-Ga2O3 films, providing a comprehensive understanding of optimizing their electrical properties with respect to power electronics applications.

Insights into Heterocycle Biosynthesis in the Cytotoxic Polyketide Alkaloid Janustatin A from a Plant-Associated Bacterium.

Janustatin A is a potently cytotoxic polyketide alkaloid produced at trace amounts by the marine bacterial plant symbiont Gynuella sunshinyii. Its biosynthetic terminus features an unusual pyridine-containing bicyclic system of unclear origin, in which polyketide and amino acid extension units appear reversed compared to the order of enzymatic modules in the polyketide synthase (PKS)-nonribosomal peptide synthetase (NRPS) assembly line. To elucidate unknown steps in heterocycle formation, we first established robust genome engineering tools in G. sunshinyii. A combination of gene deletion, complementation, production improvement, and NMR experiments then demonstrated that two desaturase homologues, JanA and JanB, are involved in hydroxylation and pyridine formation by desaturation, respectively. Structure-activity relationship studies showed that these modifications substantially increase the cytotoxicity and that the fully functionalized heterocyclic system is crucial for sub-nanomolar cytotoxicity. Isolation of the early post-PKS intermediate janustatin D with an already reversed heterocycle topology supports a noncanonical rearrangement process occurring on the PKS-NRPS assembly line.

Step characteristics and formation mechanism of strike slip faults in Wuerhe asphalt vein, Junggar Basin

In order to define the geometric characteristics, formation mechanism and fault wall movement direction of steps about mini-extensional shear strike-slip fault zone in Wuerhe asphalt vein. Field outcrop observation, 3D seismic data interpretation, fracture formation time and stress mechanism analysis were carried out. There is no friction in the vein section and the initial fracture shape is maintained. Not only negative steps but also steps is developed, and even steps and negative steps coexist in a cross section. The step is the microtension rupture surface associated with the strike-slip fault plane, which does not have the pointing significance of the fault wall relative movement. The outcrop features are typical, which overturns the consensus of domestic and foreign scholars based on the structural physics simulation experiments that the small steepness generated at the early stage of normal fault, reverse fault and strike-slip fault sections are all negative steps.

Transcription factor 7-like 2 (TCF7l2) regulates CNS myelination separating from its role in upstream oligodendrocyte differentiation.

Oligodendrocyte progenitor cells (OPCs) differentiation into oligodendrocytes (OLs) and subsequent myelination are two closely coordinated yet differentially regulated steps for myelin formation and repair in the CNS. Previously thought as an inhibitory factor by activating Wnt/beta-catenin signaling, we and others have demonstrated that the Transcription factor 7-like 2 (TCF7l2) promotes OL differentiation independent of Wnt/beta-catenin signaling activation. However, it remains elusive if TCF7l2 directly controls CNS myelination separating from its role in upstream oligodendrocyte differentiation. This is partially because of the lack of genetic animal models that could tease out CNS myelination from upstream OL differentiation. Here, we report that constitutively depleting TCF7l2 transiently inhibited oligodendrocyte differentiation during early postnatal development, but it impaired CNS myelination in the long term in adult mice. Using time-conditional and developmental-stage-specific genetic approaches, we further showed that depleting TCF7l2 in already differentiated OLs did not impact myelin protein gene expression nor oligodendroglial populations, instead, it perturbed CNS myelination in the adult. Therefore, our data convincingly demonstrate the crucial role of TCF7l2 in regulating CNS myelination independent of its role in upstream oligodendrocyte differentiation.

Enantioselective Synthesis of Nonfused Eight-Membered O-Heterocycles by Sequential Catalysis.

This work describes a chiral bifunctional squaramide/DBU sequential catalytic strategy for the enantioselective synthesis of nonfused chiral eight-membered O-heterocycles through the asymmetric addition of ynones to β,γ-unsaturated α-ketoesters followed by the regio- and diastereoselective cyclization of the adduct intermediates. Mechanistic experiments revealed that an isomerization process should be involved in the ring formation step, and the origin of the high regioselectivity and diastereoselectivity has also been elucidated by the DFT calculations.

Study results of the stress-strain states of the crown parts of molars restored with composite, ceramic and zirconium onlays

The relevance of the research is determined by the significant need for effective restorative treatment of caries decayed teeth. The purpose of the study is comparison of the stress-strain states in simulated models of non-homogeneous composite structural elements for typical geometric characteristics of onlays made of composite, ceramic, and zirconium dioxide in the restoration of the decayed mandibular molar. Computer simulation models of biomechanical systems were obtained by digital scanning of the mandibular molar in STEP format. Control was carried out in the form of numerical characteristics and graphical visualization in the EXOCAD program. The numerical method of finite elements, information technologies and program codes of the ANSYS Workbench 12.1 system were used to solve applied problems of biomechanics. After testing the developed discrete models, they were checked for adequacy and coincidence of numerical results in areas of high voltage gradients using the tools and methods of the ANSYS 12.1 code system. The maximum displacements, gradients, and amplitudes of the Mises-equivalent stress in the structural elements of each biomechanical system were evaluated. The stress values were calculated using the method of linear scaling of the results of the numerical solution of the boundary value problems of the theory of elasticity for small deformations to correspond to the functional force load of the mandibular molar of 100 N. The estimated values of the coefficients of the strength reserve of the structural elements were calculated as the ratio of the strength limit values to the maximum calculated values of the Mises-equivalent stress, scaled by a coefficient of 10 for a force load of 100 N. It was established that the largest voltage gradients are registered at the border of the cement layer. However, the nature of force transmission, as well as stress distribution, was different for different structural materials. The maximum stress was observed in the model with a composite onlay in the local area of the surface of the force load in the cement layer. For the ceramic onlay, the maximum stress was found on the lower support surface of contact with the onlay, where its values were 1.4 times higher than on other surfaces. The analysis of the zones of maximum stress for the zirconium onlay revealed their predominant localization in the center of its occlusal surface and in the zone of change in its spatial configuration at the border with cement. The highest stress values, along with the lowest coefficients of safety margin, were found for the molar model restored with a composite onlay, which indicated the lowest endurance of this material to functional load. While the zirconium onlay provided optimal stress distribution and it was characterized by the largest safety factor, which makes this method the most acceptable for molar restoration. The obtained results should be taken into account when choosing a material for the prosthetics of lateral teeth with onlays.

Structure of the WIPI3/ATG16L1 Complex Reveals the Molecular Basis for the Recruitment of the ATG12~ATG5-ATG16L1 Complex by WIPI3.

Macroautophagy deploys a wealth of autophagy-related proteins to synthesize the double-membrane autophagosome, in order to engulf cytosolic components for lysosome-dependent degradation. The recruitment of the ATG12~ATG5-ATG16L1 complex by WIPI family proteins is a crucial step in autophagosome formation. Nevertheless, the molecular mechanism by which WIPI3 facilitates the recruitment of the ATG12~ATG5-ATG16L1 complex remains largely unknown. Here, we uncover that WIPI3 can directly interact with the coiled-coil domain of ATG16L1. By determining the crystal structure of WIPI3 in complex with ATG16L1 coiled-coil, we elucidate the molecular basis underpinning the specific recruitment of the ATG12~ATG5-ATG16L1 complex by WIPI3. Moreover, we demonstrate that WIPI2 and WIPI3 are competitive for interacting with ATG16L1 coiled-coil, and ATG16L1 and ATG2 are mutually exclusive in binding to WIPI3. In all, our findings provide mechanistic insights into the WIPI3/ATG16L1 interaction, and are valuable for further understanding the activation mechanism of the ATG12~ATG5-ATG16L1 complex as well as the working mode of WIPI3 in autophagy.

Kinetic, thermodynamic, and ab initio insights of AsnGly isomerisation as a ticking time bomb for protein integrity

Under physiological conditions in peptides or proteins, the -AsnGly- motif autonomously rearranges within hours/days to β-Asp and α-Asp containing sequence, via succinimide intermedier. The formation of the succinimide is the rate-limiting step, with a strong pH and temperature dependence. We found that Arg(+) at the (n + 2) position (relative to Asn in the nth position) favors isomerisation by forming a transition-state like structure, whereas Glu(-) disfavors isomerisation by adopting a β-turn like conformer. Four to six key intermediate structures (proton transfer, transition-state formation, ring-closure and ammonia-release steps) have been identified along the intrinsic reaction coordinate pathways. We explain how, under the right conditions, the N-atom of a backbone amide, hardly a potent nucleophile, can nevertheless initiate isomerisation. The new data are useful for the design of self-structuring motifs, more resistant protein backbones, antibodies, etc.

Hepatic artery stenting with Viabahn

BackgroundThe effect of vessel morphology on the technical success and patency of Viabahn stent-grafts in treating postoperative arterial injuries and bleeding (AIB) after hepatopancreatobiliary surgery is not well understood. Difficulties in stent insertion persist despite using stiff guidewires to straighten tortuous vessels. This study aimed to identify vessel morphologies linked to technical success and short-term patency and to explore effective management strategies.Materials and methodsThis retrospective study examined 12 consecutive cases of hepatic artery stenting in 11 patients, using Viabahn grafts for postoperative AIB from 2017 to 2024. Patient data, angiographic outcomes, and stent placement details were reviewed. Different types of guidewires, including stiff and soft guidewires, were utilized to facilitate stent deployment. Vessel tortuosity and vessel narrowing before stent placement were evaluated both qualitatively and quantitatively. Outcomes measured included technical and clinical success rates, stent patency at one month, and the time from surgery to stent placement.ResultsFinal technical and clinical success was achieved in all cases (100%). Vessel tortuosity often led to the emergence of accordion-like appearances upon vessel straightening, necessitating additional technical adaptations due to the formation of steps (p = 0.005). One-month stent patency was observed in 10/12 cases (83%). Among cases with severe vessel narrowing distal to the bleeding point, 2/3 (67%) experienced stent occlusion, significantly higher than those with less severe narrowing (p = 0.045). All occluded cases involved the extension of stent length by overlapping stent-grafts.ConclusionsSteps created by the accordion-like appearance in the hepatic artery resulting from the straightening of tortuous vessels can complicate stent insertion, and severe narrowing distal to the bleeding point increases the risk of short-term occlusion.

A comparative study of galaxy evolution with four different active galactic nucleus torus models and two different host geometries

Abstract Estimating physical quantities such as the star formation rate, stellar mass and active galactic nucleus (AGN) fraction of galaxies is a key step in understanding galaxy formation and evolution. In order to estimate the uncertainties in the predicted values for these quantities, in this paper we explore the impact of adopting four different AGN torus models in fitting the multi-wavelength spectral energy distributions (SED) of galaxies. We also explore the impact of adopting two different geometries for the host, a spheroidal geometry, more appropriate for late-stage mergers, and a disc geometry, more appropriate for galaxies forming stars with secular processes. We use optical to submillimeter photometry from the Herschel Extragalactic Legacy Project (HELP) and utilize a Markov chain Monte Carlo SED-fitting code. We use exclusively radiative transfer models for the AGN torus as well as for the starburst and host galaxy. We concentrate on a sample of 200 galaxies at z ≈ 2, selected in the ELAIS-N1 field. All galaxies have a detection at 250μm which ensures the presence of a starburst. We find that the stellar mass and star formation rate of the galaxies can be robustly estimated by the SED fitting but the AGN fraction depends very much on the adopted torus model. We also find that the vast majority of the galaxies in our sample are better fitted by a spheroidal geometry and lie above the main sequence. Our method predicts systematically higher SFR and lower stellar mass than the popular energy balance method CIGALE.

Increased Mevalonate Production Using Engineered Citrate Synthase and Phosphofructokinase Variants of Escherichia coli.

Mevalonate is a biochemical precursor to a wide range of isoprenoids. The mevalonate pathway uses three moles of acetyl-CoA, and therefore native pathways which metabolize acetyl-CoA compete with mevalonate synthesis. Moreover, the final step in mevalonate formation, mediated by hydroxymethylglutaryl-CoA reductase, requires NADPH as a co-substrate. This study focuses on chromosomal modification of citrate synthase (GltA) involved in acetyl-CoA utilization and phosphofructokinase (PfkA) involved in NADPH formation to increase the yield and productivity of mevalonate in Escherichia coli overexpressing the three genes of the heterologous mevalonate pathway. Nine GltA variants were compared for mevalonate production with the ΔgltA knockout and the wild-type GltA strain in shake flasks in the absence and presence of casamino acids. In the presence of casamino acids, all variants generated mevalonate at a greater yield than the wild-type control, but less than the GltA knockout. In the absence of casamino acids, the strain expressing wild-type GltA generated the greatest yield of mevalonate, while most variants instead accumulated primarily acetate. Using the wild-type strain and two citrate synthase variants, four phosphofructokinase variants were also compared with the ΔpfkA knockout and the wild-type strain, but PfkA variants generated less mevalonate than the corresponding wild-type PfkA strain. Controlled processes at the 1-liter scale comparing five strains demonstrated the inverse relationship between yield and productivity, with the GltA[K167A] variant showing the best balance for the yield (0.20 g/g) and productivity (0.87 g/L h). A nitrogen-limited process using the GltA[K167A] variant generated 36.9 g/L mevalonate in 31 h at a yield of 0.31 g/g. This study demonstrates that GltA variants offer a means to affect intracellular acetyl-CoA pools for the generation of acetyl-CoA derived products and that the acetyl-CoA pool rather than NADPH availability is the important limiting factor for mevalonate production.

A Chemically Powered Rotary Molecular Motor Based on Reversible Oxazepine Formation

AbstractWhile biological machines are powered mainly by chemical transformations, chemically driven artificial rotary motor systems are very limited. Here, we report an aniline‐phenol‐based rotary molecular motor that operates via an information ratchet mechanism. The 360° directional rotation about a single covalent bond can be chemically driven by reversible oxazepine formation. Both the oxazepine formation and hydrolysis steps are kinetically gated via dynamic kinetic resolution, arising from the kinetic bias of chiral catalysts for enantiomers. Given the 95 % ee (97.5 : 2.5) and 88 % ee (94 : 6) of the individual gating steps of motor analogues, the overall directionality ratio could be calculated to be 91.7 : 8.3 (97.5 %×94 %≈91.7 %), which means that the motor will make one mistake (backward rotation) approximately every 11 to 12 turns.

A Chemically Powered Rotary Molecular Motor Based on Reversible Oxazepine Formation.

While biological machines are powered mainly by chemical transformations, chemically driven artificial rotary motor systems are very limited. Here, we report an aniline-phenol-based rotary molecular motor that operates via an information ratchet mechanism. The 360° directional rotation about a single covalent bond can be chemically driven by reversible oxazepine formation. Both the oxazepine formation and hydrolysis steps are kinetically gated via dynamic kinetic resolution, arising from the kinetic bias of chiral catalysts for enantiomers. Given the 95 % ee (97.5 : 2.5) and 88 % ee (94 : 6) of the individual gating steps of motor analogues, the overall directionality ratio could be calculated to be 91.7 : 8.3 (97.5 %×94 %≈91.7 %), which means that the motor will make one mistake (backward rotation) approximately every 11 to 12 turns.

Understanding Quorum-Sensing and Biofilm Forming in Anaerobic Bacterial Communities.

Biofilms are complex, highly organized structures formed by microorganisms, with functional cell arrangements that allow for intricate communication. Severe clinical challenges occur when anaerobic bacterial species establish long-lasting infections, especially those involving biofilms. These infections can occur in device-related settings (e.g., implants) as well as in non-device-related conditions (e.g., inflammatory bowel disease). Within biofilms, bacterial cells communicate by producing and detecting extracellular signals, particularly through specific small signaling molecules known as autoinducers. These quorum-sensing signals are crucial in all steps of biofilm formation: initial adhesion, maturation, and dispersion, triggering gene expression that coordinates bacterial virulence factors, stimulates immune responses in host tissues, and contributes to antibiotic resistance development. Within anaerobic biofilms, bacteria communicate via quorum-sensing molecules such as N-Acyl homoserine lactones (AHLs), autoinducer-2 (AI-2), and antimicrobial molecules (autoinducing peptides, AIPs). To effectively combat pathogenic biofilms, understanding biofilm formation mechanisms and bacterial interactions is essential. The strategy to disrupt quorum sensing, termed quorum quenching, involves methods like inactivating or enzymatically degrading signaling molecules, competing with signaling molecules for binding sites, or noncompetitively binding to receptors, and blocking signal transduction pathways. In this review, we comprehensively analyzed the fundamental molecular mechanisms of quorum sensing in biofilms formed by anaerobic bacteria. We also highlight quorum quenching as a promising strategy to manage bacterial infections associated with anaerobic bacterial biofilms.

Topological Defect Formation in Slow Three-Dimensional Fracture.

Cracks develop various surface patterns as they propagate in three-dimensional (3D) materials. Symmetry-breaking topological defects in nominally tensile (mode-I) fracture emerge in the slow (noninertial) regime, taking the form of surface steps. We show that the same phase-field framework that recently shed basic light on dynamic (inertial) tensile fracture in three dimensions, also gives rise to crack surface steps. Step formation is shown to involve two essential physical ingredients: finite-strength quenched disorder and a small, mesoscopic antiplane shear (mode-III) loading component (on top of the dominant tensile, mode-I loading component). We quantify the nonlinear interplay between disorder (both its strength and spatial correlation length) and mesoscopic mode I+III mixity in controlling step formation. Finally, we show that surface steps grow out of the small-scale, background surface roughness and are composed of two overlapping crack segments connected by a bridging crack, in agreement with experiments.

Palladium-Catalyzed Selective Carbonylation Reactions of Ortho-Phenylene Dihalides with Bifunctional N,O-Nucleophiles.

Palladium-catalyzed carbonylation reactions of ortho-phenylene dihalides were studied using aminoethanols as heterobifunctional N,O-nucleophiles. The activity of aryl-iodide and -bromide as well as the chemoselective transformation of amine and hydroxyl functionalities were studied systematically under carbonylation conditions. Aminocarbonylation can be selectively realized under optimized conditions, enabling the formation of amide alcohols, and the challenging alkoxycarbonylation can also be proved feasible, enabling amide-ester production. Intramolecular double carbonylation reaction can be achieved using 1,2-diiodobenzene and amino alcohols featuring secondary amine groups, giving oxazocine derivatives. Useful reaction scope with various amino alcohols was performed with good isolated yields of the targeted compounds. Intramolecular C-O coupling of amide alcohols possessing bromo substituent in adjacent ortho position is also demonstrated as a potential next step in benzoxazepine heterocycle formation.

Machine-learning-accelerated density functional theory screening of Cu-based high-entropy alloys for carbon dioxide reduction to ethylene

Computational screening of high-entropy alloy (HEA) catalysts as alternatives to the typical Cu electrocatalyst for CO2 reduction reaction (CO2RR) has been extensively focused on C1 products, but C2+ products have received significantly less attention. This work optimized CuZnPdAgAu HEA catalyst composition for CO2RR to ethylene via density functional theory and supervised machine learning regression techniques. Candidates were identified from 106,045 HEA data for enthalpy of adsorption of *CO2, *H, *HOCCOH, and *C2H4 species, and the Gibbs free energy of *H. The electrocatalytic properties during the reaction were examined on the surface of the optimized HEA candidate – Cu0.36Zn0.18Pd0.10Ag0.18Au0.18 benchmarked to Cu (111). The Pd site of such a candidate functions as the active site for the CO2 activation step. In terms of catalytic activity, it showed lower Gibbs free energy for the potential determining step – the *OCCOH formation step compared to that on the Cu (111). Insight into electronic properties demonstrated that the candidate reduces the uphill reaction energy for *HOCCOH production pathway due to increased electron density in the C–C bond, donated from two Cu sites. It is shown that the HEA catalyst candidate has the potential for CO2RR targeting ethylene, an alternative to a common Cu catalyst.

A DFT-based kinetic equation for Co3O4 decomposition reaction in high-temperature thermochemical energy storage

Thermal energy storage supports stable grid integration of variable renewable energy sources by reducing power curtailment and generation costs. Thermochemical energy storage (TCES) offers high energy density and long-duration, long-distance storage advantages, making it a focus in large-scale applications such as concentrated solar power plants. Metal oxide systems like Co3O4/CoO are widely used due to their operational flexibility, yet limited understanding of their decomposition kinetics hinders optimization of TCES materials and reactor design. In this study, we developed a rate equation based on density functional theory and transition state theory to identify the reaction mechanisms and rate constants at the gas–solid interface, prior to predict Co3O4 decomposition kinetics. A microkinetic model was then constructed to couple surface reactions with oxygen ion diffusion across the bulk, which was integrated into a reactor model accounting for mass transfer steps. The model’s accuracy was validated against the data from the micro-fluidized bed thermogravimetric analyzer experiments. For particles smaller than 150 μm, the formation step of adsorbed O2 (energy barrier of 0.8 eV) controls the reaction rate, while gas diffusion dominates the reaction rate for particles larger than 500 μm. To conclude, the optimal conditions for maximizing charge–discharge kinetics in TCES applications were identified as: 850–900 °C, 0–10 vol% O2, and 150–500 μm. This model provides theoretical guidance for optimizing TCES materials and reactor design, reducing experimental costs while maintaining accuracy.

Ammonium Dinitramide as a Prospective N-NO2 Synthon: Electrochemical Synthesis of Nitro-NNO-Azoxy Compounds from Nitrosoarenes.

In this study, the electrochemical coupling of nitrosoarenes with ammonium dinitramide is discovered, leading to the facile construction of the nitro-NNO-azoxy group, which represents an important motif in the design of energetic materials. Compared to known approaches to nitro-NNO-azoxy compounds involving two chemical steps (formation of azoxy group containing a leaving group and its nitration) and demanding expensive, corrosive, and hygroscopic nitronium salts, the presented electrochemical method consists of a single step and is based solely on nitrosoarenes and ammonium dinitramide. The dinitramide salt plays the roles of both the electrolyte and reactant for the coupling. Despite the fact that many side reactions can be expected due to the redox-activity of both the reagents and target products, under optimized conditions the synthesis is performed in an undivided cell under constant current conditions with high current density and can be easily scaled up without a reduction in the product yield. Moreover, the synthesized nitro-NNO-azoxy compounds are discovered to be potent fungicides active against a broad range of phytopathogenic fungi.

(Invited) Digital Twin for Inverse Design of Battery Manufacturing Processes

The manufacturing process of lithium ion battery (LIB) electrodes impacts their architecture and the practical properties of the cells, such as their energy and power densities, their durability and safety. Therefore, it is crucial to optimize this manufacturing process in a proper manner. Such an optimization is highly complex because of the very significant amount of parameters and numerous interdependencies between the process steps, such as the slurry mixing, the casting, the drying, the calendering, the assembly, the electrolyte filling and the solid electrolyte interphase formation. As a consequence, traditional trial and error approaches can lead to high scrap rates in LIB cell manufacturing.ARTISTIC is a digital twin for inverse design of LIB manufacturing process that we keep developing since several years.[1] ARTISTIC is supported on a combination of physics-based models and machine learning. The physics-based models simulate the dynamics, with 3D resolution, of the slurry mixing, the slurry coating and its drying, the resulting electrode calendering, the cell infiltration by the liquid electrolyte, the formation step and the resulting electrochemical performance of the virtually produced electrodes and cells. These physics-based models are linked with each other in a sequential manner, and they are supported on a combination of methods, such as Coarse Grained Particle Dynamics, Discrete Element Method, Lattice Boltzmann Method and Finite Element Method. Deep learning is used to derive time-dependent 3D surrogate models mimicking the behavior of the physics-based models with much less computational cost. Furthermore, a wide diversity of machine learning techniques are used to accelerate the calibration of the physics-based models with experimental observables (e.g. slurry viscosity and density, electrode porosity, tortuosity factor and conductivity) and to unravel correlations between manufacturing parameters and electrode and cell properties. All these pieces are integrated in a single computational infrastructure performing the inverse design. For that purpose, the deep learning surrogates and the machine learning models are coupled to a multi-objective Bayesian Optimizer. The latter allows predicting which manufacturing parameters to adopt (e.g. slurry formulation, drying rate, calendering degree) in order to reach desired properties for the electrodes (e.g. loading, porosity, conductivity) and for the cells (energy and power densities). We have demonstrated this pionneering digital twin for multiple manufacturing steps and electrode chemistries (e.g. NMC111, NMC622, LFP, graphite, silicon-graphite blends), with the strong support of experimental databases acquired in our LIB manufacturing pilot line.[2] We have also demonstrated the transferability of our approach to Sodium Ion and Solid State Batteries, and we start to adapt it for dry processing methods. In my talk, I will present the latest updates of this research and development effort. Furthermore, I will also present the latest updates of the ARTISTIC Online Calculator, a free service to perform battery manufacturing simulations from an internet browser, as well as of our Virtual and Mixed Reality tools to train students, researchers and operators in the battery manufacturing field. These updates will include the presentation of the first "battery manufacturing metaverse", a multi-user battery manufacturing pilot line in Virtual Reality designed to perform practices with the MSc. students of the i-MESC Erasmus+ programme (Interdisciplinarity in Materials for Energy Storage and Coversion).[3]References[1] https://www.erc-artistic.eu/[2] https://www.modeling-electrochemistry.com/publications[3] https://i-mesc.eu/