Results 121 to 130 of about 4,457,338 (303)

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Advanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Why stay in a bad relationship? The effect of local host phenology on a generalist butterfly feeding on a low-ranked host [PDF]

, 2016
Metabolic profiling by GC-MS and LC-MS.
Hélène Audusseau, Maria de la Paz Celorio-Mancera, Niklas Janz, Sören Nylin   +3 more
core   +7 more sources

Pelvic morphology and body size in relation to the preauricular sulcus: Evidence from medieval to modern Iberia

The Anatomical Record, EarlyView.
Abstract The preauricular sulcus has long been debated as a pelvic feature variably attributed to obstetric stress, ligamentous traction, and broader biomechanical processes. To clarify its determinants, we analyzed 409 adult individuals from three archeological and one early modern skeletal collection from the Iberian Peninsula, integrating graded ...
Rebeca García‐González, Julia Muñoz‐Guarinos, Nico Cirotto, Sonia Díaz‐Navarro, Laura Rodríguez, José Miguel Carretero   +5 more
wiley   +1 more source

Quality evaluation of Polygonatum sibiricum slices from different regions based on appearance traits and multi-index metabolites combined with TOPSIS and gray relation analysis

Frontiers in Pharmacology
IntroductionTraditional Chinese medicine quality control faces challenges, lacking multidimensionality and reliable quantitative evidence. Comprehensive evaluation models based on external characteristics and multiple indicator metabolites are the future
Cheng Wang, Cheng Wang, Ju Ye, Sisi Jiang, Sisi Jiang, Xuguang He, Xuguang He, Min Ma, Min Ma, Li Yin   +9 more
doaj   +1 more source

Metabolomics in psoriatic disease: pilot study reveals metabolite differences in psoriasis and psoriatic arthritis. [PDF]

, 2014
ImportanceWhile "omics" studies have advanced our understanding of inflammatory skin diseases, metabolomics is mostly an unexplored field in dermatology.ObjectiveWe sought to elucidate the pathogenesis of psoriatic diseases by determining the differences
Armstrong, April W, Azizi, Baktazh, Dhillon, Jaskaran, Fiehn, Oliver, Grapov, Dmitry, Johnson, Mary Ann, Wu, Julie   +6 more
core   +2 more sources

Pair-wise multicomparison and OPLS analyses of cold-acclimation phases in Siberian spruce

Metabolomics, 2011
Analysis of metabolomics data often goes beyond the task of discovering biomarkers and can be aimed at recovering other important characteristics of observed metabolomic changes.
L. Shiryaeva, H. Antti, W. Schröder, Richard Strimbeck, A. Shiriaev   +4 more
semanticscholar   +1 more source

Dietary Baicalin Supplementation Can Enhance the Growth Performance of Weaned Piglets and Maintain the Intestinal Barrier Integrity

Animal Research and One Health, EarlyView.
This research innovatively illustrates baicalin’s multifaceted mechanisms in enhancing piglets’ intestinal health: modulating bile acid metabolism via probiotics, reinforcing tight junction proteins (ZO‐1/claudin), suppressing TLR4/NF‐κB‐mediated inflammation, whereas promoting growth and reducing diarrhea.
Yuhui Gao, Jie Liu, Rui Yang, Xizhen Fan, Cheng Liang, Xin'e Shi, Jianjun Jin   +6 more
wiley   +1 more source

基于气相色谱-离子迁移谱技术分析不同预处理 技术对压榨山茶油风味的影响Analysis of effect of different pretreatment technology on the flavor of pressed oil-tea camellia seed oil based on gas chromatography-ion mobility spectroscopy

Zhongguo youzhi
旨在提升山茶油风味品质，采用气相色谱-离子迁移谱（GC-IMS）技术分析微波、烘烤、蒸制3种预处理技术对压榨山茶油中挥发性成分的影响，并结合正交偏最小二乘判别分析（OPLS-DA）、相对气味活度值（ROAV）和聚类分析比较不同预处理压榨山茶油挥发性成分的差异。结果表明：不同预处理压榨山茶油中共鉴定出40种挥发性成分，其中醛类18种（40.02%~51.88%）、醇类9种（10.99%~19.85%）、酮类6种（19.37%~27.35%）、酯类3种（4.21%~11.44%）、吡嗪类2种（1.25%~6.
彭丝兰1,2，刘思思2，易有金1，刘汝宽2，李昌珠2，肖志红2,3 PENG Silan1,2，LIU Sisi2，YI Youjin1，LIU Rukuan2，LI Changzhu2，XIAO Zhihong2,3
doaj   +1 more source

Myo‐Inositol Mitigates Oxidative Stress in Bovine Mammary Epithelial Cells via Activation of the SIRT5/Nrf2 Signaling Axis

Animal Research and One Health, EarlyView.
Myo‐inositol alleviates oxidative stress in dairy cow mammary epithelial cells via the Sirt5/Nrf2 pathway to promote mitochondrial fusion. This graphical abstract was created with BioRender.com. ABSTRACT High‐yielding dairy cows are susceptible to mammary gland oxidative stress due to prolonged intensive lactation, leading to redox imbalance.
Yufei Zhang, Yu Cao, Meng Zhang, Huijie Hu, He Ma, Junlong Bi, Juxiong Liu, Shoupeng Fu, Wenjin Guo   +8 more
wiley   +1 more source

Solvation Structure and Dynamics of the Thiocyanate Anion in mixed N,N‐Dimethylformamide‐Water Solvents: A Molecular Dynamics Approach

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The solvation structure and dynamics of the SCN− anion in mixed N, N‐Dimethylformamide (DMF)‐water liquid solvents is investigated using classical molecular dynamics simulations. A preferential solvation of SCN− by the water molecules is observed in the first hydration shell, followed by a second shell consisting by both DMF and water molecules.
Ioannis Skarmoutsos, Ilias G. Karvounis
wiley   +1 more source