Results 151 to 160 of about 2,792 (202)

A Machine Learning Perspective on the Brønsted–Evans–Polanyi Relation in Water‐Gas Shift Catalysis on MXenes

Advanced Intelligent Discovery, EarlyView.
Machine learning predicts activation energies for key steps in the water‐gas shift reaction on 92 MXenes. Random Forest is identified as the most accurate model. Reaction energy and reactant LogP emerge as key descriptors. The approach provides a predictive framework for catalyst design, grounded in density functional theory data and validated through ...
Kais Iben Nassar, Tiago L. P. Galvão, José D. Gouveia, José R. B. Gomes   +3 more
wiley   +1 more source

Accelerating Biosensor Discovery: A Computationally‐Driven Pipeline for Microplastics Monitoring

Advanced Intelligent Discovery, EarlyView.
A computationally guided pipeline unites molecular simulation, synthetic biology, electrochemical engineering, and machine learning to accelerate biosensor discovery. A Bacillus anthracis carbohydrate‐binding module is used to develop a high‐performance micro‐ and nanoplastics sensor with greatly reduced error and variability.
Gabriel X. Pereira, Marcos de C. Leite, Pedro H. M. Zanineli, Juliana N. Y. Costa, Débora M. Cunha, Sophia P. Serra, Pedro H. Sophia, Flávio M. Shimizu, Yasmin W. Moura, Célio C. Oliveira, Gabriel R. Schleder, Gabriela F. Persinoti, Leandro Merces, Renato S. Lima   +13 more
wiley   +1 more source

Fortuitous Correlations in Molecular Dynamics Simulations: Their Harmful Influence on the Probability Distributions of the Main Principal Components

ACS Omega
Juliana Palma, Gustavo Pierdominici-Sottile   +1 more
doaj   +1 more source

Bubbles Acting as Micro End‐Effectors for Dexterous Manipulation and Sensing in Aqueous Environment

Advanced Intelligent Systems, Volume 7, Issue 3, March 2025.
Inspired by bubbles, this article proposes a low‐cost method for multifunctional manipulation and sensing using microbubbles in aqueous environments. Bubbles are easily generated in situ, enabling the safe and adaptive handling of microobjects and sensing of microforces and surface textures.
Zichen Xu, Qingsong Xu
wiley   +1 more source

Structural Insights Into CO2 Transport Pathways in a W‐Formate Dehydrogenase: Structural Basis for CO2 Reduction

Angewandte Chemie, EarlyView.
Integrated structural analysis of N. vulgaris formate dehydrogenase AB, an enzyme with applications in climate change mitigation, is reported. The substrate/product diffusion pathways were fully mapped, and a retention site was identified that transiently holds substrates and has a key role in CO2‐reducing activity.
Guilherme Vilela‐Alves, Rita Rebelo Manuel, Guilherme Martins, Philippe Carpentier, Agata Raczyńska, Maciej Szaleniec, Inês A. Cardoso Pereira, Maria João Romão, Cristiano Mota   +8 more
wiley   +2 more sources

Identification of NPC1 as a novel SARS-CoV-2 intracellular target

, 2020
Garcia-Dorival I, Ángel Cuesta-Geijo M, Barrado-Gil L, Galindo I, Urquiza J, del Puerto A, Gil C, Campillo N, Martínez A, Alonso C.   +9 more
europepmc   +1 more source

Routing Optimization of Cable‐Driven Octopus‐Inspired Manipulators With Minimal Actuation via Genetic Algorithm and Finite Element Method

Advanced Intelligent Systems, EarlyView.
Soft robotic arms are promising for gentle grasping but often rely on bulky actuation systems. This work presents a computational design framework that optimizes tendon number and routing to achieve target grasps with fewer actuators. Validated on an octopus‐inspired underwater arm, the approach enables efficient, underactuated soft manipulators for ...
Michele Martini, Emanuele Solfiti, Alessio Mondini, Emanuela Del Dottore, Alberto Parmiggiani, Edoardo Sinibaldi, Barbara Mazzolai   +6 more
wiley   +1 more source

Tens-of-Grams Synthesis of β‑NaLnF4 Upconversion Particles Using Fluorine Excess and Inverted Crucibles as the Sintering Device

ACS Omega
Haggeo Desirena, Jorge A. Molina-González, Mario Alan Quiroz-Juárez, Gonzalo Ramírez-García   +3 more
doaj   +1 more source

CAUIM: Amazonian Cassava‐Based Programmable Biocolloid

Advanced Intelligent Systems, EarlyView.
Bridging indigenous heritage and computation, this work introduces the usage of cauim, a traditional Amazonian cassava fermented beverage, as a programmable memristive‐like substrate and resistance switching. The material exhibits frequency‐dependent dynamics enabling reconfigurable Boolean logic operations.
Raphael Fortulan, Noushin Raeisi Kheirabadi, Clay Palmeira, Davin Browner, Alessandro Chiolerio, Andrew Adamatzky   +5 more
wiley   +1 more source

Data‐Driven Review and Machine Learning Prediction of Diamond Vacancy Center Synthesis

Advanced Intelligent Systems, EarlyView.
A machine learning framework is applied to photoluminescence spectra to extract linewidths and uncover how NV, SiV, GeV, and SnV centers evolve with growth and processing conditions. Unified normalization and k‐fold validation reveal cross‐method trends and enable rapid prediction of defect size and fabrication parameters, offering a data‐driven route ...
Zhi Jiang, Marco Peres, Carlo Bradac, Gil Gonçalves   +3 more
wiley   +1 more source