Results 201 to 210 of about 41,048,805 (281)

Quantum‐Trained AI Enables Inverse Design of Organic Frontier Orbitals at Billion‐Scale

Advanced Science, EarlyView.
Quantum‐trained AI links molecular substructures to frontier‐orbital energetics and enables interpretable screening across nearly one billion GDB‐13 molecules. By combining fragment‐ and ring‐level insights with donor–acceptor energy alignment against ITIC, the framework narrows an immense chemical space to a small set of promising candidates and ...
Yeongnam Ko, Se Jin Kim, Ki Chul Kim
wiley   +1 more source

Distribution of Elements in Durum Wheat Seed and Milling Products: Discrimination between Cultivation Methods through Multivariate Data Analysis. [PDF]

Foods
Fattobene M, Liu F, Conti P, Zamponi S, Governatori C, Nardi S, Russo RE, Berrettoni M.   +7 more
europepmc   +1 more source

Quantification and Classification of Diclofenac Sodium Content in Dispersed Commercially Available Tablets by Attenuated Total Reflection Infrared Spectroscopy and Multivariate Data Analysis. [PDF]

Pharmaceuticals (Basel), 2021
Siozou E, Sakkas V, Kourkoumelis N.
europepmc   +1 more source

DIXDC1 Promotes Lymphatic Metastasis and Resistance to Cuproptosis in Bladder Cancer Through Mediating DLAT

Advanced Science, EarlyView.
DIXDC1 drives bladder cancer progression by binding and stabilizing DLAT. This axis enhances NEK7 and CCNE2 mRNA stability to promote proliferation and lymphatic metastasis, while limiting copper‐induced DLAT oligomerization to reduce cuproptosis sensitivity, identifying DIXDC1 as a potential target linking metastasis with cuproptosis resistance ...
Hongqiong Li, Liang Cheng, Xiaole Lu, Haonan Dong, Shi Fu, Hongjin Shi, Mingsheng Liu, Chenwei Yang, Yuhang Huang, Zehua Chen, Yawei Zhang, Kaiwen Jie, Xiaoyue Zhang, Xiang Kui, Xinni Ye, Siting Chen, Xu Chen, Haifeng Wang   +17 more
wiley   +1 more source

Rapid Identification and Quantification of Adulteration in Methyl Eugenol using Raman Spectroscopy Coupled with Multivariate Data Analysis. [PDF]

ACS Omega
Anwar M, Rimsha G, Majeed MI, Alwadie N, Nawaz H, Majeed MZ, Rashid N, Zafar F, Kamran A, Wasim M, Mehmood N, Shabbir I, Imran M.   +12 more
europepmc   +1 more source

The Interplay of Curvature, Geometry, and Topology Shapes Tissue Organisation in Epithelial Shells

Advanced Science, EarlyView.
Purely geometric 3D Voronoi models predict the organisation of epithelial shells. The interplay of curvature, geometry, and topology enriches the number of pentagons in shells with lower number of cells. Small MDCK cysts and Mouse embryos match the top polygonal configurations in a compactness‐based ranking derived from the Voronoi model. In conclusion,
Laura Morato, Jesús A. Andrés‐San Román, Juan Garrido‐García, Carmen Gordillo‐Vázquez, Ana M. Palacios, Elisabeth Lidueña‐Fernández, Katie McDole, Pedro Gómez‐Gálvez, Valentina Annese, Luis M. Escudero   +9 more
wiley   +1 more source

Oligosaccharides With Defined Glycosidic Bonds Shape Gut Microbial Succession and Metabolism Via Bond‐Specific Microbial Responders

Advanced Science, EarlyView.
Oligosaccharides with defined glycosidic bonds drive divergent gut microbial succession and shape unique metabolic profiles. Absolute time‐series profiling with Bayesian generalized Lotka–Volterra modeling identifies bond‐specific microbial responders, while monoculture validation and metaproteomics reveal linkage‐matched transport and cleavage modules.
Xiaoxuan Lu, Jiaqi Zou, Geng Han, Mengyao Zhao, Ting Luo, Xiangru Feng, Liangliang Zhu, Yijia Chen, Xiaoguo Ji, Jiayang Jin, Liming Zhao   +10 more
wiley   +1 more source

Deubiquitination of Vangl by USP6 and USP32 Regulates Planar Cell Polarity Signaling

Advanced Science, EarlyView.
Compartment‐specific deubiquitination controls Vangl dosage and planar cell polarity signaling. USP6 and USP32 regulate distinct subcellular pools of Vangl by removing distinct ubiquitin modifications from Vangl proteins. This regulatory mechanism safeguards PCP‐dependent embryonic morphogenesis, while aberrant USP32‐dependent stabilization of VANGL ...
Fangzi Zha, Di Feng, Ziru Xue, Zhiying Liu, Xiaochen Lin, Zhe Wang, Ling Xu, Jasper Fuk Woo Chan, Martin Cheung, Michael Shing Yan Huen, Yusong Guo, Kui Ming Chan, Yun Liu, Bo Gao   +13 more
wiley   +1 more source

Phytochemical Screening, Antioxidant, and Enzyme Inhibitory Properties of Three Prangos Species (P. heyniae, P. meliocarpoides var. meliocarpoides, and P. uechtritzii) Depicted by Comprehensive LC-MS and Multivariate Data Analysis. [PDF]

Antioxidants (Basel), 2022
Dall'Acqua S, Sut S, Zengin G, Peron G, Elbasan F, Yildiztugay E, Bibi Sadeer N, Mahomoodally MF.   +7 more
europepmc   +1 more source

MXene‐Based Room‐Temperature NO2 Gas Sensors: A Meta‐Analysis

Advanced Science, EarlyView.
This study presents the first comprehensive meta‐analysis of MXene‐based NO2 sensors, decoding 32 study characteristics across 61 peer‐reviewed studies. By isolating materials chemistry as the primary performance driver over device‐level parameters, the authors establish a methodological blueprint and a predictive structure–function map to accelerate ...
Alexander Khort, Jerome Geyer‐Klingeberg, Andreas Rathgeber, Suelen Barg   +3 more
wiley   +1 more source