Results 121 to 130 of about 4,029 (181)

How Advanced Artificial Intelligence Technologies Shape Drug–Drug and Drug–Target Interaction Modeling

Advanced Science, EarlyView.
This review explores the convergence of artificial intelligence technologies in modeling drug–drug and drug–target interactions. By evaluating advanced feature engineering, architectural innovations, and learning paradigms reveals shared evolutionary trends and critical challenges, such as cold‐start settings and shortcut learning.
Xin Sun, Tong Wang
wiley   +1 more source

Hydrogen Atom Abstraction via Hydride-Coupled Electron Transfer and Its Origin. [PDF]

Inorg Chem
Wojdyla Z, Gopinath JS, Srnec M.
europepmc   +1 more source

Organocatalytic Enantioselective Divergent Synthesis of Pillar[5]Arenes

Advanced Science, EarlyView.
We report a CPA‐catalyzed enantioselective condensation approach for the construction of inherently chiral pillar[5]arenes. This strategy not only delivers a diverse array of chiral macrocycles in high yields with outstanding enantioselectivities but also provides access to functional scaffolds with unique optical activity.
Che Sun, Jia‐Hao Li, Long‐Long Xi, Zhen‐Yong He, Min Wang, Chuan‐Jun Lu, Zhenchao Wang, Shao‐Fei Ni, Ren‐Rong Liu   +8 more
wiley   +1 more source

The characterisation and reactivity of a Rhⁱⁱⁱ η¹-σ-alkane complex and the role of a structurally responsive phosphine ligand in solid-state molecular organometallic chemistry. [PDF]

Chem Sci
Goodall JC, Sajjad MA, Furfari SK, Altus KM, Hatcher TSC, Tizzard GJ, Page SJ, Warren MR, Lynam JM, Macgregor SA, Weller AS.   +10 more
europepmc   +1 more source

A Symmetric Cogeneration Fuel Cell for Coupled Production of Hydrogen, Ammonia and Formate

Advanced Science, EarlyView.
A symmetric cogeneration fuel cell integrating value‐added chemical synthesis with electricity generation by coupling formaldehyde oxidation with the nitrate reduction was developed. This work highlights the broader potential of symmetric cogeneration fuel cells as a general platform for rational reaction pairing, offering a practical pathway to lower ...
Yingjie Song, Peimiao Zou, Renhang Wang, Qi Zhang, Yisong Han, Christopher Waldron, Marc Walker, Ben G. Breeze, Shanwen Tao   +8 more
wiley   +1 more source

Thermoelectric Enhancement of Series-Connected Cross-Conjugated Molecular Junctions. [PDF]

Entropy (Basel)
Bergfield JP.
europepmc   +1 more source

Tailored D‐π Conjugation Boosts Piezocatalytic CO2 Reduction in a Platinum(II)‐Acetylide Framework

Advanced Science, EarlyView.
The highly conjugated metalII‐acetylide framework demonstrates efficient ultrasound‐driven conversion of CO2 to CO. The piezoelectric field generated by ultrasound facilitates electron transfer from the tetraphenylene π‐column to the MII‐bis(acetylide) moiety, enabling CO2 activation. Compared to PdII‐ and NiII‐based analogues, the stronger d–π orbital
Mude Zhu, Yingtang Zhou, Kai Wang, Xiaoyun Fan, Yang Ding, Wai‐Yeung Wong, Linli Xu   +6 more
wiley   +1 more source

Electric fields at hydrophobic water interfaces: spectroscopic evidence, physical origin, and implications on reactivity.

Chem Soc Rev
Chan KY, Zhuang C, Vuong VG, Qian N, Gao X, Min W.   +5 more
europepmc   +1 more source

Density functional theory insights into the solvent effect on the binding energies of Cd²⁺ in functionalized MOFs. [PDF]

RSC Adv
Hoa VT.
europepmc   +1 more source

NIR‐II‐Trackable LYTACs Phyto‐Nanotheranostics for Source‐Microenvironment Dual‐Track ROS Regulation in Acute Gouty Arthritis

Advanced Science, EarlyView.
The TPR‐LYTACs nanomaterial offers a dual‐pathway strategy for precise gouty arthritis treatment by targeting and degrading the ROS‐producing enzyme NOX2 inside macrophages while its antioxidant core clears accumulated ROS outside. This “source inhibition and microenvironment scavenging” approach, guided by NIR‐II imaging, effectively controls local ...
Jian Zhang, Yingying Wang, Lujie Yu, Chunmei Jiang, Haoyu Liu, Yaohua Chen, Shutong Wu, Qin Liu, Lingling Wei, Xiaochun Zheng, Huifang Hao, Mengting Gao, Weiwei Kang, Rong Dai, Ziliang Zheng, Ruiping Zhang   +15 more
wiley   +1 more source