Ricardo M Borges

The POKY Team Presents A-SIMA and A-MAP: Transforming NMR-Based Metabolomics with User-Friendly Tools The POKY team, led by Prof.

The POKY team, led by Prof. Woonghee Lee in the Chemistry Department at the University of Colorado Denver presents A-SIMA and A-MAP: transforming NMR-based metabolomics with user-friendly tools clas.ucdenver.edu/newsroom/202... #NMRnews #NMRchat #NMR 🧲

Data Fusion‐based Discovery (DAFdiscovery) pipeline to aid compound annotation and bioactive compound discovery across diverse spectral data We present DAFdiscovery, a tool developed to combine MS, NMR and bioactivity data using a STOCSY function to calculate correlations among every feature. Jupyter Notebook was chosen since it is an ope...

Another one of interests (this one for connecting MS-NMR-Bioactivity #secmet #naturalproducts):
analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Exploring correlations between MS and NMR for compound identification using essential oils: A pilot study We demonstrate the use of statistical correlations to link results from MS and NMR for compound identification. The correlations highlighted in the resulting NMR spectra calculated from the MS are sh...

Combining #NMR with #MS -features for essential oils (the seed for DAFdiscovery): analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

An integrated approach for mixture analysis using MS and NMR techniques We suggest an improved software pipeline for mixture analysis. The improvements include combining tandem MS and 2D NMR data for a reliable identification of the constituents in an algorithm based on n...

This is the original paper for NMRfilter #nmrfilter as presented at the Faraday Discussion Meeting

pubs.rsc.org/doi/c8fd00227d

Applying NMR compound identification using NMRfilter to match predicted to experimental data - Metabolomics Introduction Metabolomics is the approach of choice to guide the understanding of biological systems and its molecular intricacies, but compound identification is yet a bottleneck to be overcome. Obje...

NMRfilter can simulate and compare #NMR data and the compounds don’t need to be present in the database. Here we present it’s use for biofluid/metabolomics

link.springer.com/article/10.1...

I would love to be part of it

An integrated approach for mixture analysis using MS and NMR techniques We suggest an improved software pipeline for mixture analysis. The improvements include combining tandem MS and 2D NMR data for a reliable identification of the constituents in an algorithm based on n...

This is the original paper for NMRfilter #nmrfilter as presented at the Faraday Discussion Meeting

pubs.rsc.org/doi/c8fd00227d

NMR as a tool for compound identification in mixtures This review highlights the tools available for compound identification using NMR in natural product chemistry. The tools discussed include COLMAR, SMART-NMR, MADByTE, and NMRfilter, and examples are ...

Since this is new for me. Allow me to introduce a series of papers that reflect my interests:
analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Direct deduction of chemical class from NMR spectra This paper presents a proof-of-concept method for classifying chemical compounds directly from NMR data without performing structure elucidation. This…

Another one for the series of papers that reflect my interests:
www.sciencedirect.com/science/arti...

Applying NMR compound identification using NMRfilter to match predicted to experimental data - Metabolomics Introduction Metabolomics is the approach of choice to guide the understanding of biological systems and its molecular intricacies, but compound identification is yet a bottleneck to be overcome. Obje...

NMRfilter can simulate and compare #NMR data and the compounds don’t need to be present in the database. Here we present it’s use for biofluid/metabolomics

link.springer.com/article/10.1...

could we get the video for classes?

Postdoctral Fellow in Metabolomics Post a job in 3min, or find thousands of job offers like this one at jobRxiv!

Postdoctral Fellow in NMR Metabolomics, Prof Ljubica Tasic, the Institute of Chemistry, State University of Campinas (IQ-UNICAMP), São Paulo, Brazil jobrxiv.org/job/unicamp-... #NMRjobs #NMRchat #NMR 🧲

Exploring correlations between MS and NMR for compound identification using essential oils: A pilot study We demonstrate the use of statistical correlations to link results from MS and NMR for compound identification. The correlations highlighted in the resulting NMR spectra calculated from the MS are sh...

Combining #NMR with #MS -features for essential oils (the seed for DAFdiscovery): analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Chemical diversity of cyanobacterial natural products Covering: 2010 to 2023Cyanobacterial natural products are a diverse group of molecules with promising biotechnological applications. This review examines the chemical diversity of 995 cyanobacterial m...

Chemical diversity of #cyanobacteria natural products.
doi.org/10.1039/D4NP...

Data Fusion‐based Discovery (DAFdiscovery) pipeline to aid compound annotation and bioactive compound discovery across diverse spectral data We present DAFdiscovery, a tool developed to combine MS, NMR and bioactivity data using a STOCSY function to calculate correlations among every feature. Jupyter Notebook was chosen since it is an ope...

Another one of interests (this one for connecting MS-NMR-Bioactivity #secmet #naturalproducts):
analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Direct deduction of chemical class from NMR spectra This paper presents a proof-of-concept method for classifying chemical compounds directly from NMR data without performing structure elucidation. This…

Another one for the series of papers that reflect my interests:
www.sciencedirect.com/science/arti...

NMR as a tool for compound identification in mixtures This review highlights the tools available for compound identification using NMR in natural product chemistry. The tools discussed include COLMAR, SMART-NMR, MADByTE, and NMRfilter, and examples are ...

Since this is new for me. Allow me to introduce a series of papers that reflect my interests:
analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Agreed. But will people use the term “secondary met.”? NP is so easy..

Yes, I do like Phytochemical Analysis.

NMR as a tool for compound identification in mixtures This review highlights the tools available for compound identification using NMR in natural product chemistry. The tools discussed include COLMAR, SMART-NMR, MADByTE, and NMRfilter, and examples are ...

Since this is new for me. Allow me to introduce a series of papers that reflect my interests:
analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Data Base similarity (DBsimilarity) of natural products to aid compound identification on MS and NMR pipelines, similarity networking, and more Introducing DBsimilarity: a user-friendly tool leveraging Jupyter Notebooks to organize structural databases into similarity networks. This innovative approach aids natural product chemists, even wit...

Since this is new for me. Allow me to introduce a series of papers that reflect my interests:
analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

High‐speed countercurrent chromatography with offline detection by electrospray mass spectrometry and nuclear magnetic resonance detection as a tool to resolve complex mixtures: A practical approach using Coffea arabica leaf extract A novel method was developed to identify secondary metabolites in plant extracts with high confidence and efficiency. Using an ethanolic extract of Coffea arabica leaves, countercurrent chromatograph...

Since this is new for me. Allow me to introduce a series of papers that reflect my interests:
analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Chemical diversity of cyanobacterial natural products Covering: 2010 to 2023Cyanobacterial natural products are a diverse group of molecules with promising biotechnological applications. This review examines the chemical diversity of 995 cyanobacterial m...

Since this is new for me. Allow me to introduce a series of papers that reflect my interests:
pubs.rsc.org/doi/d4np00040d