dissolution
Clinically Ready Magnetic Microrobots for Targeted Therapies
Landers, Fabian C., Hertle, Lukas, Pustovalov, Vitaly, Sivakumaran, Derick, Brinkmann, Oliver, Meiners, Kirstin, Theiler, Pascal, Gantenbein, Valentin, Veciana, Andrea, Mattmann, Michael, Riss, Silas, Gervasoni, Simone, Chautems, Christophe, Ye, Hao, Sevim, Semih, Flouris, Andreas D., Puigmartí-Luis, Josep, Mayor, Tiago Sotto, Alves, Pedro, Lühmann, Tessa, Chen, Xiangzhong, Ochsenbein, Nicole, Moehrlen, Ueli, Gruber, Philipp, Weisskopf, Miriam, Boehler, Quentin, Pané, Salvador, Nelson, Bradley J.
Systemic drug administration often causes off-target effects limiting the efficacy of advanced therapies. Targeted drug delivery approaches increase local drug concentrations at the diseased site while minimizing systemic drug exposure. We present a magnetically guided microrobotic drug delivery system capable of precise navigation under physiological conditions. This platform integrates a clinical electromagnetic navigation system, a custom-designed release catheter, and a dissolvable capsule for accurate therapeutic delivery. In vitro tests showed precise navigation in human vasculature models, and in vivo experiments confirmed tracking under fluoroscopy and successful navigation in large animal models. The microrobot balances magnetic material concentration, contrast agent loading, and therapeutic drug capacity, enabling effective hosting of therapeutics despite the integration complexity of its components, offering a promising solution for precise targeted drug delivery.
Promoting User Data Autonomy During the Dissolution of a Monopolistic Firm
Solanki, Rushabh, Creager, Elliot
The deployment of AI in consumer products is currently focused on the use of so-called foundation models, large neural networks pre-trained on massive corpora of digital records. This emphasis on scaling up datasets and pre-training computation raises the risk of further consolidating the industry, and enabling monopolistic (or oligopolistic) behavior. Judges and regulators seeking to improve market competition may employ various remedies. This paper explores dissolution -- the breaking up of a monopolistic entity into smaller firms -- as one such remedy, focusing in particular on the technical challenges and opportunities involved in the breaking up of large models and datasets. We show how the framework of Conscious Data Contribution can enable user autonomy during under dissolution. Through a simulation study, we explore how fine-tuning and the phenomenon of "catastrophic forgetting" could actually prove beneficial as a type of machine unlearning that allows users to specify which data they want used for what purposes.
Learning the Factors Controlling Mineralization for Geologic Carbon Sequestration
Pachalieva, Aleksandra, Hyman, Jeffrey D., O'Malley, Daniel, Viswanathan, Hari, Srinivasan, Gowri
We perform a set of flow and reactive transport simulations within three-dimensional fracture networks to learn the factors controlling mineral reactions. CO$_2$ mineralization requires CO$_2$-laden water, dissolution of a mineral that then leads to precipitation of a CO$_2$-bearing mineral. Our discrete fracture networks (DFN) are partially filled with quartz that gradually dissolves until it reaches a quasi-steady state. At the end of the simulation, we measure the quartz remaining in each fracture within the domain. We observe that a small backbone of fracture exists, where the quartz is fully dissolved which leads to increased flow and transport. However, depending on the DFN topology and the rate of dissolution, we observe a large variability of these changes, which indicates an interplay between the fracture network structure and the impact of geochemical dissolution. In this work, we developed a machine learning framework to extract the important features that support mineralization in the form of dissolution. In addition, we use structural and topological features of the fracture network to predict the remaining quartz volume in quasi-steady state conditions. As a first step to characterizing carbon mineralization, we study dissolution with this framework. We studied a variety of reaction and fracture parameters and their impact on the dissolution of quartz in fracture networks. We found that the dissolution reaction rate constant of quartz and the distance to the flowing backbone in the fracture network are the two most important features that control the amount of quartz left in the system. For the first time, we use a combination of a finite-volume reservoir model and graph-based approach to study reactive transport in a complex fracture network to determine the key features that control dissolution.
Auto-weighted Bayesian Physics-Informed Neural Networks and robust estimations for multitask inverse problems in pore-scale imaging of dissolution
Perez, Sarah, Poncet, Philippe
In this article, we present a novel data assimilation strategy in pore-scale imaging and demonstrate that this makes it possible to robustly address reactive inverse problems incorporating Uncertainty Quantification (UQ). Pore-scale modeling of reactive flow offers a valuable opportunity to investigate the evolution of macro-scale properties subject to dynamic processes. Yet, they suffer from imaging limitations arising from the associated X-ray microtomography (X-ray microCT) process, which induces discrepancies in the properties estimates. Assessment of the kinetic parameters also raises challenges, as reactive coefficients are critical parameters that can cover a wide range of values. We account for these two issues and ensure reliable calibration of pore-scale modeling, based on dynamical microCT images, by integrating uncertainty quantification in the workflow. The present method is based on a multitasking formulation of reactive inverse problems combining data-driven and physics-informed techniques in calcite dissolution. This allows quantifying morphological uncertainties on the porosity field and estimating reactive parameter ranges through prescribed PDE models with a latent concentration field and dynamical microCT. The data assimilation strategy relies on sequential reinforcement incorporating successively additional PDE constraints. We guarantee robust and unbiased uncertainty quantification by straightforward adaptive weighting of Bayesian Physics-Informed Neural Networks (BPINNs), ensuring reliable micro-porosity changes during geochemical transformations. We demonstrate successful Bayesian Inference in 1D+Time and 2D+Time calcite dissolution based on synthetic microCT images with meaningful posterior distribution on the reactive parameters and dimensionless numbers.
Exploration of Self-Propelling Droplets Using a Curiosity Driven Robotic Assistant
Grizou, Jonathan, Points, Laurie J., Sharma, Abhishek, Cronin, Leroy
We describe a chemical robotic assistant equipped with a curiosity algorithm (CA) that can efficiently explore the state a complex chemical system can exhibit. The CA-robot is designed to explore formulations in an open-ended way with no explicit optimization target. By applying the CA-robot to the study of self-propelling multicomponent oil-in-water droplets, we are able to observe an order of magnitude more variety of droplet behaviours than possible with a random parameter search and given the same budget. We demonstrate that the CA-robot enabled the discovery of a sudden and highly specific response of droplets to slight temperature changes. Six modes of self-propelled droplets motion were identified and classified using a time-temperature phase diagram and probed using a variety of techniques including NMR. This work illustrates how target free search can significantly increase the rate of unpredictable observations leading to new discoveries with potential applications in formulation chemistry.