Results 181 to 190 of about 49,207 (274)

Free energies (Hartree) (a), dipole moments (Debye) (b), chemical softness (c), and HOMO-LUMO gaps (d) of OMP and a few selected analogues (remaining values are presented in S3 Fig in

Mahmudul Hasan (750862), Md. Ifteker Hossain (20485251), Noimul Hasan Siddiquee (19162744), Ezaz Ahmed (8518872), Md Walid Hossain Talukder (21594523), Md Rahamatolla (21594526), Tasrin Nahar (21594529), Popy Rani Paul (21594532), Mahmudul Hassan Suhag (14824168), Monir Uzzaman (5985563)   +9 more
openalex   +1 more source

PEC‐DFM Hybrid‐Sensor Based on Nanoparticle‐Resolved Estimation for Sensitive and Reversible Glucose Monitoring

Advanced Science, EarlyView.
Abstract The accurate detection of glucose in wound exudate is critically important for monitoring chronic wound healing. While photoelectrochemical (PEC) sensors are widely used, they often suffer from material degradation caused by redox reactions during operation. Herein, we introduce a dark‐field microscopy (DFM) setup integrated with a PEC system,
Zihao Zhang, Junzheng Liu, Qinggong Wu, Yuan Zeng, Gang Xiao, Zhao Yue, Zhigang Zang, Shuang Zhao   +7 more
wiley   +1 more source

Theoretical study on the geometry, aromaticity and electronic properties of porphyrin analogues. [PDF]

RSC Adv
Chen X, Li D, Zhang C, She Y, Yang YF.
europepmc   +1 more source

Molecularly Engineered Phenoxazinone‐Skeleton Cascade‐Activated NIR Probes for Monitoring Fe2+/Viscosity in Ferroptosis‐Mediated Parkinson's Disease

Advanced Science, EarlyView.
A series of Fe2+/viscosity cascade‐activated NIR fluorescence probes (NP1–5) are synthesized, and NP3 is selected for its optimal properties. To verify application of NP3 in ferroptosis intervention in PD, PQR NPs, is constructed by NP3 and quercetin self‐assembling.
Lixia Guo, Tao Liu, Hongfei Wang, Qi Gao, Zhaobo Yang, Zumeng Wang, Chenlong Li, Yubing Kang, Kahleong Lim, Wen Liu, Li Lu, Chengwu Zhang   +11 more
wiley   +1 more source

Insights into the adsorption performance of temozolomide on T-based 2D nanosheets from DFT and COSMO calculations. [PDF]

Nanoscale Adv
Dostagir MSR, Piya AA, Opi MH, Ashik-E-Elahe M, Shamim SUD.   +4 more
europepmc   +1 more source

Facile insertion of ethylene into a group 14 element-carbon bond: effects of the HOMO–LUMO energy gap on reactivity

, 2018
Ting Yi Lai, Jing‐Dong Guo, James C. Fettinger, Shigeru Nagase, Philip P. Power   +4 more
openalex   +2 more sources

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Comparative investigation of uridine and Hachimoji RNA base interaction with single-walled carbon nanotube. [PDF]

J Mol Model
Alangari M.
europepmc   +1 more source

Advances and Perspectives in Graphene‐Based Quantum Dots Enabled Neuromorphic Devices

Advanced Science, EarlyView.
Graphene‐based QDs are zero‐dimensional carbon nanomaterials with pronounced quantum confinement and tunable electronic structures. Herein, we summarize their synthesis strategies and functionalization methods, and highlight their functional roles and operating mechanisms in devices, as well as recent advances in neuromorphic electronics. We anticipate
Yulin Zhen, Wei Zeng, Zherui Zhao, JiYu Zhao, Ziyan Huang, Zhuo Chen, Kui Zhou, Guanglong Ding, Su‐Ting Han, Ye Zhou   +9 more
wiley   +1 more source

Effect of π-spacer moieties coupled to a porphyrin/PC70BM donor-acceptor for promising organic photovoltaic properties: a DFT study. [PDF]

RSC Adv
Iqbal MMA, Hussain F, Javeed H, Hassan T, Hussain R.   +4 more
europepmc   +1 more source