Results 181 to 190 of about 24,900 (287)

Assessing the performance of quantum-mechanical descriptors in physicochemical and biological property prediction.

Digit Discov
Hinostroza Caldas A, Kokorin A, Tkatchenko A, Medrano Sandonas L.   +3 more
europepmc   +1 more source

How to evaluate aromaticity under pressure? Benzene as a benchmark system. [PDF]

Chem Sci
Eeckhoudt J, Dellwisch A, Plump A, Zeller F, Neudecker T, De Proft F, Alonso M.   +6 more
europepmc   +1 more source

Bioinspired Adaptive Sensors: A Review on Current Developments in Theory and Application

Advanced Materials, EarlyView.
This review comprehensively summarizes the recent progress in the design and fabrication of sensory‐adaptation‐inspired devices and highlights their valuable applications in electronic skin, wearable electronics, and machine vision. The existing challenges and future directions are addressed in aspects such as device performance optimization ...
Guodong Gong, You Zhou, Qingxiu Li, Wenyu Zhao, Sunyingyue Geng, Hangfei Li, Yan‐Bing Leng, Shirui Zhu, Guanglong Ding, Yongbiao Zhai, Ziyu Lv, Ye Zhou, Su‐Ting Han   +12 more
wiley   +1 more source

Mechanistic Analysis of Large Atomic Models of Molten Salt. [PDF]

Adv Sci (Weinh)
Guo Y, Sun X, Xi X, Nie Z.
europepmc   +1 more source

Spiro‐Phenothiazine Hole‐Transporting Materials: Unlocking Stability and Scalability in Perovskite Solar Cells

Advanced Materials, EarlyView.
Fluorene‐functionalized spiro‐phenothiazine (PTZ‐Fl) exhibits strong Li+ affinity and thermal stability, enabling a PCE of 25.75% in small‐area cells and 22.07% in 25 cm2 modules. Under ISOS‐L3 conditions, PTZ‐Flbased devices retain over 80% efficiency after 1000 hours, demonstrating superior stability and scalability compared to spiro‐OMeTAD for next ...
Javier Urieta‐Mora, Seung Ju Choi, Jaeki Jeong, Silvia Orecchio, Inés García‐Benito, Manuel Pérez‐Escribano, Joaquín Calbo, Likai Zheng, Minseop Byun, Seyeong Song, Gi‐Hwan Kim, Shaik M. Zakeeruddin, Seog‐Young Yoon, Yimhyun Jo, Agustín Molina‐Ontoria, Enrique Ortí, Nazario Martín, Michael Grätzel   +17 more
wiley   +1 more source

DPPH Measurement for Phenols and Prediction of Antioxidant Activity of Phenolic Compounds in Food. [PDF]

Curr Issues Mol Biol
Kato R, Tada C, Yamauchi M, Matsumoto Y, Gotoh H.   +4 more
europepmc   +1 more source

Artificial Intelligence‐Assisted Workflow for Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling

Advanced Materials, EarlyView.
AI‐Assisted Workflow for (Scanning) Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling. Abstract (Scanning) transmission electron microscopy ((S)TEM) has significantly advanced materials science but faces challenges in correlating precise atomic structure information with the functional properties of ...
Marc Botifoll, Ivan Pinto‐Huguet, Enzo Rotunno, Thomas Galvani, Catalina Coll, Payam Habibzadeh Kavkani, Maria Chiara Spadaro, Yann‐Michel Niquet, Martin Børstad Eriksen, Sara Martí‐Sánchez, Georgios Katsaros, Giordano Scappucci, Peter Krogstrup, Giovanni Isella, Andreu Cabot, Gonzalo Merino, Pablo Ordejón, Stephan Roche, Vincenzo Grillo, Jordi Arbiol   +19 more
wiley   +1 more source

QSAR machine learning-guided discovery of renieramycin right-half derivatives with cytotoxic activity against NSCLC cells. [PDF]

Sci Rep
Putra ID, Maitarad P, Yokoya M, Ei ZZ, Hotta D, Shi L, Rungrotmongkol T, Chanvorachote P.   +7 more
europepmc   +1 more source

Stepwise On‐Surface Synthesis and Transformations of Two‐Dimensional Covalent Organic Frameworks by Controlled Thermal Stimuli

Advanced Materials, EarlyView.
The seminal transformation of a 2D‐COF (SURFCOF‐IMDEA1) into a 2D porous COF (SURFCOF‐IMDEA2) on Au(111) by a sequential C‐C coupling and ladderization triggered by thermal annealing steps at increasing temperatures is reported. Abstract The development of covalent organic frameworks (COFs) is currently a primary objective in materials science, taking ...
Ana Barragán, Elena Pérez‐Elvira, Diego J. Vicent, Marco Lozano, Diego Soler‐Polo, Koen Lauwaet, José M. Gallego, Rodolfo Miranda, José I. Urgel, Pavel Jelínek, Nazario Martín, David Écija   +11 more
wiley   +1 more source

Multiscale Computational Enzymology of CYP450 Biotransformation of Organic Halogenated Pollutants: Methods and Environmental Perspectives. [PDF]

ACS Omega
Zhao M, Shen X, Wu J, Gao W.
europepmc   +1 more source