NMR paper Unraveling Compositional Study, Chemometric Analysis, and Cell-Based Antioxidant Potential of Selective High Nutraceutical Value Amaranth Cultivars Using a GC-MS and NMR-Based Metabolomics Approach

		BioNMR > Educational resources > Journal club
[NMR paper] Unraveling Compositional Study, Chemometric Analysis, and Cell-Based Antioxidant Potential of Selective High Nutraceutical Value Amaranth Cultivars Using a GC-MS and NMR-Based Metabolomics Approach

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

Thread Tools

Search this Thread

Rate Thread

Display Modes

12-27-2023, 08:40 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,575

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

Unraveling Compositional Study, Chemometric Analysis, and Cell-Based Antioxidant Potential of Selective High Nutraceutical Value Amaranth Cultivars Using a GC-MS and NMR-Based Metabolomics Approach

Amaranthus (family Amaranthaceae) is a potentially nutritious pseudocereal also known as a functional food owing to its high nutritional quality grains especially rich in essential amino acids. Emerging study, however, unambiguously indicates that apart from essential nutrients like protein, other phytochemicals present in amaranth seeds provide excellent health benefits. Squalene is one such phytonutrient found in Amaranthus seeds, which is also its largest vegetal source. In this research...

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] Urinary Metabolomics Study on the Protective Role of Cocoa in Zucker Diabetic Rats via 1H-NMR-Based Approach Urinary Metabolomics Study on the Protective Role of Cocoa in Zucker Diabetic Rats via 1H-NMR-Based Approach Cocoa constitutes one of the richest sources of dietary flavonoids with demonstrated anti-diabetic potential. However, the metabolic impact of cocoa intake in a diabetic context remains unexplored. In this study, metabolomics tools have been used to investigate the potential metabolic changes induced by cocoa in type 2 diabetes (T2D). To this end, male Zucker diabetic fatty rats were fed on standard (ZDF) or 10% cocoa-rich diet (ZDF-C) from week 10 to 20 of life. Cocoa...	nmrlearner	Journal club	0	10-19-2022 03:14 AM
[NMR paper] Protein-excipient interactions evaluated via NMR studies in polysorbate based multi-dose protein formulations: influence on antimicrobial efficacy and potential study approach. Protein-excipient interactions evaluated via NMR studies in polysorbate based multi-dose protein formulations: influence on antimicrobial efficacy and potential study approach. Related Articles Protein-excipient interactions evaluated via NMR studies in polysorbate based multi-dose protein formulations: influence on antimicrobial efficacy and potential study approach. J Pharm Sci. 2018 Jun 05;: Authors: Torosantucci R, Furtmann B, Elshorst B, Pfeiffer-Marek S, Hartleb T, Andres N, Bussemer T Abstract Preservatives are excipients...	nmrlearner	Journal club	0	06-10-2018 03:09 AM
[NMR paper] Renal Cell Carcinoma: A Study through NMR-Based Metabolomics Combined with Transcriptomics. Renal Cell Carcinoma: A Study through NMR-Based Metabolomics Combined with Transcriptomics. Related Articles Renal Cell Carcinoma: A Study through NMR-Based Metabolomics Combined with Transcriptomics. Diseases. 2016 Jan 22;4(1): Authors: Ragone R, Sallustio F, Piccinonna S, Rutigliano M, Vanessa G, Palazzo S, Lucarelli G, Ditonno P, Battaglia M, Fanizzi FP, Schena FP Abstract Renal cell carcinoma (RCC) is a heterogeneous cancer often showing late symptoms. Until now, some candidate protein markers have been proposed for its...	nmrlearner	Journal club	0	09-24-2017 06:16 AM
[NMR paper] ¹H-NMR and MS based metabolomics study of the intervention effect of curcumin on hyperlipidemia mice induced by high-fat diet. ¹H-NMR and MS based metabolomics study of the intervention effect of curcumin on hyperlipidemia mice induced by high-fat diet. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.plosone.org-images-pone_120x30.png http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.ncbi.nlm.nih.gov-corehtml-pmc-pmcgifs-pubmed-pmc.gif Related Articles ¹H-NMR and MS based metabolomics study of the intervention effect of curcumin on hyperlipidemia mice induced by high-fat diet. PLoS One. 2015;10(3):e0120950 Authors: Li...	nmrlearner	Journal club	0	02-06-2016 03:10 PM
[NMR paper] NMR-based metabolite profiling of human milk: a pilot study of methods for investigating compositional changes during lactation. NMR-based metabolite profiling of human milk: a pilot study of methods for investigating compositional changes during lactation. NMR-based metabolite profiling of human milk: a pilot study of methods for investigating compositional changes during lactation. Biochem Biophys Res Commun. 2015 Dec 1; Authors: Wu J, Domellöf M, Zivkovic AM, Larsson G, Öhman A, Nording ML Abstract Low-molecular-weight metabolites in human milk are gaining increasing interest in studies of infant nutrition. In the present study, the milk metabolome...	nmrlearner	Journal club	0	12-15-2015 08:09 PM
[NMR paper] NMR-based metabolomics approach to study the chronic toxicity of crude ricin from castor bean kernels on rats. NMR-based metabolomics approach to study the chronic toxicity of crude ricin from castor bean kernels on rats. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles NMR-based metabolomics approach to study the chronic toxicity of crude ricin from castor bean kernels on rats. Mol Biosyst. 2014 Jul 29;10(9):2426-40 Authors: Guo P, Wang J, Dong G, Wei D, Li M, Yang M, Kong L Abstract Ricin, a large, water soluble toxic glycoprotein, is distributed...	nmrlearner	Journal club	0	10-16-2015 01:44 PM
[NMR paper] (1)H NMR based metabolomics approach to study the toxic effects of dichlorvos on goldfish (Carassius auratus). (1)H NMR based metabolomics approach to study the toxic effects of dichlorvos on goldfish (Carassius auratus). (1)H NMR based metabolomics approach to study the toxic effects of dichlorvos on goldfish (Carassius auratus). Chemosphere. 2015 Jul 22;138:537-545 Authors: Liu Y, Chen T, Li MH, Xu HD, Jia AQ, Zhang JF, Wang JS Abstract Dichlorvos (DDVP), one of the most widely used organophosphorus pesticides (OPs), has caused serious pollution in environment. In this study, (1)H nuclear magnetic resonance (NMR) based metabolomics...	nmrlearner	Journal club	0	07-27-2015 10:16 AM
Journal Highlight: 1H and 13C NMR-based sugar profiling with chemometric analysis and antioxidant activity of herbhoneys and honeys Journal Highlight: 1H and 13C NMR-based sugar profiling with chemometric analysis and antioxidant activity of herbhoneys and honeys http://www.spectroscopynow.com/common/images/thumbnails/1447e6dff3b.jpg1H and 13C NMR spectroscopy coupled with chemometric analysis (PCA and PLS-DA) and antioxidant assays were used to study 25 samples of Polish herbhoneys and honeys. Read the rest at Spectroscopynow.com	nmrlearner	General	0	03-03-2014 04:55 PM

« Previous Thread | Next Thread »

Posting Rules
You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is On Trackbacks are Off Pingbacks are Off Refbacks are Off