Results 131 to 140 of about 18,532 (261)

ChemGraphX: an open-source web tool for computing topological indices and entropy measures. [PDF]

J Cheminform
Jacob K, Clement J, Arockiaraj M, Jindal A.   +3 more
europepmc   +1 more source

scTIDE: Deciphering Critical Transitions Through Cell‐Perturbed Manifold Graphs and Optimal Transport Conditional Flow Matching

Advanced Science, EarlyView.
scTIDE identifies single‐cell tipping points by combining manifold‐based graph representations with optimal‐transport conditional flow matching, which preserves intrinsic topology and models distributional dynamics. It supports critical‐transition detection at individual‐cell resolution, prediction of unseen cells, and dimensionality reduction and ...
Jiayuan Zhong, Bowen Niu, Yongbo Yu, Shiyang Nie, Xuerong Gu, Pei Chen, Rui Liu   +6 more
wiley   +1 more source

Leveraging topological indices and machine learning for advanced prediction of antidepressant drug properties. [PDF]

Sci Rep
Zhang G, Noureen S, Azam S, Abdalla MEM, Dafaalla ME, Aslam A, Tola KA.   +6 more
europepmc   +1 more source

Polarization Engineering in Vinylene‐Linked COFs Toward Efficient Neuromorphic Computing

Advanced Science, EarlyView.
A vinyl‐linked covalent organic framework (COF‐DIBPY) was synthesized on a conductive substrate for memristor applications. Redox reactions and bromide migration enable low‐voltage (0.5V) conductance switching with high analog on/off ratio (15.7). The device was further integrated into a speech emotion recognition system for acoustic simulation and ...
Hao Wang, Lei Zhao, Haoyuan Yao, Qiongshan Zhang, Fuzhen Xuan, Bin Zhang   +5 more
wiley   +1 more source

Correlating topological indices with physicochemical properties in 15 polycyclic aromatic hydrocarbons. [PDF]

Sci Rep
Huang Z, Zhao J, Jin B, Cao J, Yang Y, Li Z.   +5 more
europepmc   +1 more source

Structural Colors from Modulated Topological Defects in Molecular Smectic Liquid Crystals

Advanced Science, EarlyView.
Rather than using dyes and pigments, nature produces the colors of some butterflies and beetles through optical interference phenomena. This study describes an original biomimetic strategy exploiting the spontaneous formation of modulated linear defects in thin films of 8CB, a common molecular liquid crystal.
Camille N. Mahyaoui, Guilhem Poy, Rabab Zehra, Axel Fouques, Vassili Sergan, Ivan Dozov, Claire Meyer, Patrick Davidson   +7 more
wiley   +1 more source

Developing a QSPR model for Alzheimer's drugs using topological indices and M-polynomial: A computational study. [PDF]

Sci Rep
Akhbari MH, Movahedi F, Zameni M, Shahavi MH.   +3 more
europepmc   +1 more source

Harmonizing Rigidity and Flexibility: Embedding COF Quantum Dots Into Extracellular Matrix Gel as Carbon Monoxide Depot for Acoustically Triggered Time‐Programmable Anti‐Infective Therapy

Advanced Science, EarlyView.
A rigid‑flexible integrated CO depot is engineered by embedding rigid COFQDs into a flexible ECM gel network. The rigid framework enables high‑capacity CO storage and sonodynamic bacterial killing, while the flexible ECM gel controls sustained CO release, collectively eradicating multidrug‑resistant infection and promoting scarless healing.
Baohong Sun, Fang Han, Chunxiao Zhu, Zhiyuan Yang, Haoru Wang, Jinpei Mei, Jie Chen, Jingwen Zhu, Zihan Bo, Taju Wu, Xiaogang Zhou, Tao Ma, Yutian Su, Youhui Lin   +13 more
wiley   +1 more source

Predictive modeling and ranking of physicochemicals in <i>Aegle marmelos</i> using topological indices and multi-criteria decision-making techniques. [PDF]

Front Chem
Bhandari AN, B J.
europepmc   +1 more source

Current Challenges of Transcription Compartmentalization Research

Advanced Science, EarlyView.
Transcription factors, coactivators, and RNA polymerase II assemble into transcription compartments ranging from small, defined complexes to liquid‐like condensates. This review unifies these seemingly competing descriptions along a single continuum and asks what these compartments have been shown to do, and what they have not, revealing that the most ...
Thomas Quail, Sina Wittmann
wiley   +1 more source