Results 161 to 170 of about 1,676,724 (246)

First-principles investigation of the gas-sensing performance of Ti/Sn dual-functionalized carbon nano-onions for atmospheric gases: a DFT study. [PDF]

Nanoscale Adv
Ntui TN, Uket JO, John D, Bassey F, Adejoke Badeji A.   +4 more
europepmc   +1 more source

Temporal Decoupling: A New Paradigm of 4D Photo‐Responsive Carbon Dots Films With Modular Regulation of Color and Deformation

Advanced Science, EarlyView.
This work demonstrates a novel energy regulation strategy using the long‐lived S₁ state as a “kinetic capacitor” to achieve temporally decoupled integration of photoinduced deformation and multicolor fluorescence in naphthalimide‐functionalized carbon dots. This dual‐channel programmable shunting of excited‐state energy establishes a dynamic single‐use
Jianye Zhang, Meichen Meng, Zhimeng Ma, Mingbo Yue, Xiaoyu Xu, Chang Liu, Qiang Fu   +6 more
wiley   +1 more source

Fluorine-engineered thienyl-fused non-fullerene acceptors based on as-indacene for high-performance organic solar cells: a DFT study. [PDF]

RSC Adv
Kumar S, Singh A, Mishra M, Yadav A.
europepmc   +1 more source

Engineering Ultrastable Intrinsic Radicals: Graphene Quantum Dots With NIR‐II Emission for Dynamic Deep‐Tissue Bioimaging

Advanced Science, EarlyView.
Stable radicals are attractive for photonic and quantum information technologies but are often limited by instability. We stabilize intrinsic radicals in graphene quantum dots via 2D polymerization of perylene derivatives, where bilayer defect confinement suppresses quenching (100–500 K).
Qin Xu, Yijie Hou, Bingzhe Wang, Tesen Zhang, Yupeng Liu, Shuaiqi Li, Maohua Chen, Guichuan Xing, Dongbo Guo, Songnan Qu   +9 more
wiley   +1 more source

ATL2 Recruits TRAK1 to Promote Mitochondrial Transport at ER–Mitochondria Contact Sites

Advanced Science, EarlyView.
ABSTRACT Mitochondrial transport and distribution are crucial for cellular homeostasis, yet whether and how they are regulated by endoplasmic reticulum (ER)–mitochondria contact sites remains unclear. Here, we demonstrate that the ER protein atlastin‐2 (ATL2) orchestrates mitochondrial transport and distribution by promoting assembly of the transport ...
Yiru Cheng, Peiyuan Chai, Xiayuhe Pei, Yiwen Chen, Xiaoshuai Huang, Bei Liu, Yiqian Wu, Junlin Teng, Pengli Zheng, Jianguo Chen   +9 more
wiley   +1 more source

BOS-TMC Data Set: DFT Properties of 159k Experimentally Characterized Transition Metal Complexes Spanning Multiple Charge and Spin States. [PDF]

J Chem Inf Model
Garrison AG, Toney JW, Nikolaeva T, St Michel RG, Stein CJ, Kulik HJ.   +5 more
europepmc   +1 more source

Architecture‐Engineered Semi‐Crystalline Microporous Polymer Membranes for Precise Molecular Separation

Advanced Science, EarlyView.
Guided by a Random Forest model, a π–π‐driven ordered stacking strategy deploys functionally distinct substructures to restrict chain segment motion and increase free volume, while preserving the intermolecular interactions that maintain structural integrity.
Zi‐Meng Xu, Hao Zhuo, Song‐Hui Zhi, Xiao‐Feng Zhong, Pan‐Pan Zhang, Si‐Yuan Yang, Wen‐Yong Yang, Guang‐Yong Shen, Ya‐Zhao Li, Yi Li, Ming Xue   +10 more
wiley   +1 more source

Characterization and Theoretical Insights Into Coumarin-Based Sensitizers for Dye-Sensitized Solar Cells. [PDF]

Chemphyschem
Kumar A, Chaudhari A, Kumar S, Tripathi B, Mandal S, Kushwaha S.   +5 more
europepmc   +1 more source

Cobalt‐Catalyzed Asymmetric Construction of Boron Stereocenters With C–N Axial Chirality

Advanced Science, EarlyView.
A cobalt/Salox‐catalyzed one‐pot annulation enables enantioselective formation of B‐stereogenic centers and C─N axial chirality via C─H/N─H annulation, affording diverse fluorescent products with high stereocontrol and optoelectronic potential. ABSTRACT The efficient construction of boron stereogenic centers alongside axial chirality remains a ...
Subramani Kumaran, Harihara Subramanian Ravi Sankar, Pritam Maity, J. Richard Premkumar, Abir Das, Basker Sundararaju   +5 more
wiley   +1 more source

Strategic modulation of heterocyclic donors in binaphthyl acrylonitrile-based hole transport materials for perovskite solar cells: a DFT and machine learning investigation. [PDF]

RSC Adv
Shafiq I, Irshad A, Javed M, Majeed S, Asghar MA, Ayari N, Chen K.   +6 more
europepmc   +1 more source