Results 171 to 180 of about 5,888,750 (277)

Spectral energies of redefined Zagreb indices and comparative QSPR applications to anticancer and alcohol datasets. [PDF]

Sci Rep
Zeren Y, Çiçek E, Alsharafi M.
europepmc   +1 more source

Ultrafast Chemical Pre‐Sodiation of Pseudocapacitive CaV8O20 Anodes for High‐Performance Sodium‐Ion Capacitors

Advanced Science, EarlyView.
An ultrafast (2‐minute), gas‐free chemical pre‐sodiation strategy using Na‐benzophenone is developed to compensate for initial sodium loss in calcium vanadate (CaV8O20). Driven by the Ca2+ ‘spectator effect’, the framework enables highly reversible, quasi‐zero‐strain solid‐solution sodium storage, explicitly bypassing destructive conversion reactions ...
Neetu Bansal, Anwar Hussain, Radhey Shyam Yadav, Prakash Kumar Pathak, Minjoong Kim, Tobias Mattisson, Heejoon Ahn, Rahul R. Salunkhe   +7 more
wiley   +1 more source

From graph theory to chemoinformatics: modified bond-based indices and a hypothesis-driven multi-task QSAR/QSPR benchmark. [PDF]

Sci Rep
Altairi A, Alhaj Z, Alsharafi M, Zeren Y.   +3 more
europepmc   +1 more source

Dual‐Organelle Secretome Conjugation and Organ‐Uptake Tracking (DuO‐SCOUT) Enables Deep and Sensitive Mapping of the Secreted Proteins

Advanced Science, EarlyView.
A novel dual‐organelle proximity labeling platform, DuO‐SCOUT, decodes the complex landscape of systemic organ‐organ communication by capturing both classical and unconventional secretomes. Application in metabolic models maps the adipose‐to‐brain secretory relay, identifying selective extra‐hypothalamic sites for adipose‐derived factors and expanding ...
Fenglian Yang, Rui Qian, Jiaxing Song, Xingqi Meng, Jin Young Kim, Kwok On Lai, Li Wang, Liang Zhang   +7 more
wiley   +1 more source

Note on extremal problems about connected subgraph sums. [PDF]

Graphs Comb
Cambie S, Groenland C.
europepmc   +1 more source

A Site‐Aware Representation Learning Framework For Unified Molecular Interaction Modeling and Generative Design

Advanced Science, EarlyView.
MolDBG is a site‐aware, sequence‐only framework that unifies drug‐target affinity prediction, binding‐site identification, and affinity‐conditioned molecular generation for structured proteins. Guided by multi‐task binding‐site supervision, it aligns interaction‐critical residues before learning drug‐target representations and simultaneously infers ...
Gang Luo, Qianqian Zhang, Chenhao Wang, Zhiheng Yi, Alex Jinpeng Wang, Jing Tang, Min Li   +6 more
wiley   +1 more source

Degree-based Inverse Prodeg indices linking graph theory and cheminformatics with sharp results and QSPR modeling. [PDF]

Sci Rep
Alsharafi M, Zeren Y.
europepmc   +1 more source

CDK4/MERCs/PINK1 Axis Drives PFOA/HFPO‐TA‐Induced Cardiac Senescence via Mitophagy Defect and cGAS‐STING Activation: In Vitro Amelioration by Cycloastragenol

Advanced Science, EarlyView.
The present study demonstrated that PFOA and HFPO‐TA exposure suppressed CDK4, disrupted MERCs and impaired PINK1/Parkin‐mediated mitophagy, thereby accelerating cardiac senescence, whereas CAG effectively reversed these pathological changes in vitro. Our findings identify CDK4 as a critical regulator bridging mitophagy defects and cardiac senescence ...
Nuo‐Wa Li, Jun‐Ze Jiang, Ying‐Ying Liu, Tian‐Tian Zhang, Kanwar Kumar Malhi, Xin Yao, Jin‐Long Li   +6 more
wiley   +1 more source

QSPR analysis of anticancer drugs using the Euler-Sombor index and theoretical insights on its minimum value for unicyclic graphs. [PDF]

Sci Rep
Shetty S, Rakshith BR, Udupa NVS.
europepmc   +1 more source

Atmospheric Water Harvesting Through Polymer Hydrogel Sorbents: Materials Chemistry, Design Strategies, and Applications

Advanced Science, EarlyView.
Polymer‐based hydrogels have emerged as promising materials for atmospheric water harvesting (AWH) due to their high water affinity, tunable network structure, and excellent moisture adsorption‐desorption performance. Functional hydrogel systems enable efficient water capture and controlled release under low‐energy conditions, offering a sustainable ...
Swagata Datta, Sushmit Sen, Nilanjan Dey, Amrita Chatterjee, Ananya Sadhu, Sudipta Sarkar, Pradip K. Maji   +6 more
wiley   +1 more source