Results 141 to 150 of about 18,532 (261)

QSAR analysis of drugs using graph based degree based topological indices and regression models. [PDF]

Sci Rep
Mufti ZS, Kabeer A, Almehizia AA, Ganati GA.   +3 more
europepmc   +1 more source

Aberrant GRP78 Phase Transition Sustains Endothelial IRE1α Signaling and Drives Blood–Brain Barrier Failure in Cerebral Amyloid Angiopathy

Advanced Science, EarlyView.
Vascular Aβ40 corrupts GRP78 phase behavior in brain endothelial cells, sustaining IRE1α–TRAF2–JNK signaling and driving apoptosis, tight junction loss, and blood–brain barrier failure in cerebral amyloid angiopathy. Pharmacological IRE1α inhibition restores vascular integrity, reduces leakage, and improves functional outcomes, revealing a targetable ...
Honglin Zheng, Qiang Li, Haiyang Luo, Yapei Yuan, Na Zhang, Yongting Lu, Suying Duan, Jieshi Zhong, Hang Zhang, Chenyang Liu, Yaochong Zhang, Wenzhuo Zhao, Yaxuan Song, Tuo Wang, Si Yan, Yapeng Li, Han Liu, Yuan Gao, Zongping Xia, Yuming Xu   +19 more
wiley   +1 more source

Mathematical Modeling of H1-Antihistamines: A QSPR Approach Using Topological Indices. [PDF]

ACS Omega
Manuel M, Angamuthu P.
europepmc   +1 more source

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

Advanced Science, EarlyView.
CLRe uses a contrastive difficulty score to order pretrained seq2seq fine‐tuning for retrosynthesis. Reaction embeddings define the ranking score, and a cumulative easy‐to‐hard schedule expands from the easiest subset to the full training set while earlier examples remain active.
Tianhao Su, Xitao Wang, Musen Li, Guanhua Qin, Shunbo Hu, Tong‐Yi Zhang   +5 more
wiley   +1 more source

Novel temperature-based spectral topological indices for QSPR modeling of polyacenes in predicting physicochemical properties. [PDF]

Sci Rep
Hayat S, Alanazi SJF, Belay MB, Wang S.
europepmc   +1 more source

Flat Bands Induced by Non‐Collinear Antiferromagnetism in CoBi2Te4

Advanced Science, EarlyView.
Flat bands emerge at the edges of intrinsically non‐collinear antiferromagnetic CoBi2Te4 two‐septuple layers through the interplay of spin–orbit coupling–driven band inversion and non‐collinear antiferromagnetism, uncovering a previously unexplored mechanism for flat‐band formation and opening new opportunities for strongly correlated quantum states ...
Ziyuan Zhao, Yuefeng Yin, Jinxing Gu, Mark T. Edmonds, Nikhil V. Medhekar   +4 more
wiley   +1 more source

Topological insights into breast cancer drugs: a QSPR approach using resolving topological indices. [PDF]

Front Chem
Pandeeswari E, Ravi Sankar J.
europepmc   +1 more source

Thermal Control of Concentric Topographies Patterned by Dynamic Electro‐Templated Generated Chiral Solitonic Structures

Advanced Science, EarlyView.
An electro‐templating strategy directs the relaxation of cholesteric finger loops into discrete concentric rings whose geometry is electrically programmed. The photopolymerized structures retain the topological defect pattern and, upon heating, show reversible, castle‐like surface modulation.
Jacques A. Peixoto, Hanqing Zhao, Dirk J. Broer, Ivan I. Smalyukh, Danqing Liu   +4 more
wiley   +1 more source

Applications of Sombor topological indices and entropy measures for QSPR modeling of anticancer drugs: a Python-based methodology. [PDF]

Sci Rep
Kara Y, Sağlam Özkan Y, Bektaş AB, Arockiaraj M.   +3 more
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