Results 71 to 80 of about 297,128 (308)

The CcpNmr Analysis Simulated Metabolomics Database (CASMDB): An Open-Source Collection of Metabolite Annotation Data for 1D 1H NMR-Based Metabolomics

open access: yesbioRxiv
Databases are invaluable for the identification of individual metabolites in untargeted metabolomics analyses, providing annotated pure metabolite references that allow for comparisons with experimentally collected mixture samples.
Morgan W. Hayward   +5 more
semanticscholar   +1 more source

Machine Learning Guided Design of Nerve‐On‐A‐Chip Platforms with Promoted Neurite Outgrowth

open access: yesAdvanced Functional Materials, EarlyView.
Compared to labor‐intensive trial‐and‐error experimentation, a machine learning (ML)‐guided workflow, incorporating cell viability assays, data augmentation, ensemble modeling, and model interpretation, is developed to accelerate nerve‐on‐a‐chip optimization and uncover data‐driven design principles.
Tsai‐Chun Chung   +8 more
wiley   +1 more source

Structure conformational, molecular docking and computational investigation of Methyl Linoleate

open access: yesChemical Physics Impact, 2023
AB S T R A C T: The Methyl Linoleate, also called polyunsaturated fatty acid, is a natural drug synthesis from 100% medicinal plant of L.AegleMarmelos. The title molecules structure conformed through GC-MS results.
C. Prabhu   +4 more
doaj  

Cancer Metabolomics and the Human Metabolome Database

open access: yesMetabolites, 2016
The application of metabolomics towards cancer research has led to a renewed appreciation of metabolism in cancer development and progression. It has also led to the discovery of metabolite cancer biomarkers and the identification of a number of novel ...
David S. Wishart   +3 more
doaj   +1 more source

Structure-based Discovery of Novel Small Molecule Wnt Signaling Inhibitors by Targeting the Cysteine-rich Domain of Frizzled. [PDF]

open access: yes, 2015
Frizzled is the earliest discovered glycosylated Wnt protein receptor and is critical for the initiation of Wnt signaling. Antagonizing Frizzled is effective in inhibiting the growth of multiple tumor types.
Baday, Yiressy C   +9 more
core   +2 more sources

COLMARppm: A Web Server Tool for the Accurate and Rapid Prediction of 1H and 13C NMR Chemical Shifts of Organic Molecules and Metabolites

open access: yesAnalytical Chemistry, 2023
Despite rapid progress in metabolomics research, a major bottleneck is the large number of metabolites whose chemical structures are unknown or whose spectra have not been deposited in metabolomics databases. Nuclear magnetic resonance (NMR) spectroscopy
Nick Rigel, Da-Wei Li, R. Brüschweiler
semanticscholar   +1 more source

Polyphenol‐Derived Carbonaceous Frameworks with Multiscale Porosity for High‐Power Electrochemical Applications

open access: yesAdvanced Materials, EarlyView.
This review examines the fluid dynamic behavior within carbonaceous porous structures, linking structural characteristics to electrolyte transport and electrochemical performance. Specifically, it quantitatively assesses the effect of polyphenol derivatives‐harnessed multiscale pore structures on active surface utilization and electrochemical activity ...
Minjun Kim   +3 more
wiley   +1 more source

Synthetic Control of Water‐Stable Hybrid Perovskitoid Semiconductors

open access: yesAdvanced Materials, EarlyView.
Hybrid metal‐halide perovskites are promising semiconductors for optoelectronics, yet their water stability is problematic. A new synthesis method is developed using lead iodide and cysteamine under various pH conditions, forming stable perovskitoid structures.
Jiyoon Kim   +8 more
wiley   +1 more source

Pressure-dependent 13C chemical shifts in proteins: Origins and applications [PDF]

open access: yes, 2009
Pressure-dependent (13)C chemical shifts have been measured for aliphatic carbons in barnase and Protein G. Up to 200 MPa (2 kbar), most shift changes are linear, demonstrating pressure-independent compressibilities.
Akasaka, A.   +3 more
core   +1 more source

NMR Spectroscopy Database and Searching System

open access: yes, 2020
NMR spectroscopy is the most important analytical technology for organic compounds and plays key role for the chemical characterizations and identifications in chemistry, pharmacy, materials science, environment, biology, and many related fields. In most
Haw-Lih Su   +6 more
semanticscholar   +1 more source

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