• Skip to main content
  • Skip to primary sidebar

NMR Testing Laboratory

Industrial NMR Spectroscopy Applications

  • Home
  • About Us
    • About Process NMR
    • Our History
    • Facilities
    • Applications
    • Chemometrics
    • News and Events
  • Services
    • Price List
    • Submission Form
    • Liquid NMR
    • Solid NMR
    • Benchtop NMR
    • Consulting
    • Automated Applications
    • Expert Witness
  • Expertise
    • CV
    • Presentations
    • Reviews and White Papers
  • Blog
  • Contact
You are here: Home / Archives for TD-NMR

PANIC NMR Validation Group – Website, Meetings and Organization

June 18, 2015 by process nmr Benchtop NMR, NMR, NMR Test Methods, NMR Validation, PAT, Process NMR, qNMR, TD-NMR

Validation of NMR: No Need to PANIC – Workshop held February 13, 2015, La Jolla, CA, U.S.A

In conjunction with the 3rd PANIC conference in La Jolla, California, a 1-day NMR validation workshop was held that attracted approximately 80 interested participants. The agenda of the meeting is provided at this link (http://www.nmrvalidation.org/index.php/events/event-review) and registered participants can now download the presentations presented at the meeting. At the meeting it was decided to proceed with the idea of founding an organization dedicated to the development of validate NMR methods for use throughout all industry sectors.

Organizational Scope:

NMR spectroscopy provides a means to evaluate material with high compound and high material specificity. Information as to the chemical structure, stereochemistry, quantity, material composition, and material identity is encoded in the NMR spectrum. The high reproducibility of NMR spectroscopy from instrument to instrument and lab to lab makes NMR an excellent tool for material validation. Approaches to utilizing NMR as a material validation tool include using (1) targeted approaches, the identification and quantification of specific components, and (2) non-targeted approaches, the use of chemometric methods to evaluate the spectrum as a whole. Efforts to increase the number and the speed of validated NMR methods are underway. This promises to move NMR technology from R&D to a mainstream analytical tool for production leading to high quality product assessment.

Quantitative NMR spectroscopy (qNMR) provides the most universally applicable form of direct purity determination without the need for reference materials of analytes or the calculation of response factors, with the only requirement being the exhibition of suitable NMR spectral properties. Due to recent advances in the technical development of NMR instruments, such as acquisition electronics and probe design, detection limits of components in liquid mixtures have been improved into the lower ppm range (approx. 5–10 ppm amount of substance).

The development of validated procedures and qualified standards will give users the tools to routinely exploit qNMR and enable them to speed up analytical method development, with the added advantage of reducing the time and financial burden of multiple analytical testing.

Over the last few years a number of efforts have been made to include NMR in routine testing and analysis – especially in regulated fields such as those operating under GMP or GLP guidelines. Unfortunately it has been observed that approval authorities, standard method organizations, and auditors prefer to take analytical routes derived from classical chromatographic methods. Since NMR represents a direct comparison analysis method such decisions clearly fail to take advantage of the benefits that NMR can provide.

The PANIC validation group proposes to become a driving force in getting NMR methods validated, publicized, and supported by documentation and qualified standards. The organization will also provide a mechanism for repeatability/reproducibility assessment of NMR methods as well as the round-robin accreditation of NMR labs. We aim to proactively promote the technology and improve its acceptance by the analytical community across all industry sectors.

What we want:

  • Identify a network of NMR people concerned with validation that can ultimately assist each other through the validation process.
  • Harmonize the terminology and a standard approach for NMR validations.
  • Position the guidelines produced by consensus of the NMR community so that accreditation agencies can use this process.

It is expected that there will be an annual 1-day meeting in conjunction with future PANIC conferences. A website has been been created as an organizational repository. The website can be found here: http://www.nmrvalidation.org/index.php and details of future events and, eventually, contact information will be provided.

NMR Detection of Tomato Paste Spoilage in 1000 Liter Metal Lined Totes

March 7, 2015 by process nmr NMR, TD-NMR

Poster to be Presented at the 56th ENC, Asilomar CA, April 2015

NMR Detection of Tomato Paste Spoilage in 1,000 L, Metal Lined Totes
Michele Martin1; Paul Giammatteo2; Michael McCarthy1; Matthew Augustine1
1University of California, Davis, Davis, California; 2Process NMR Associates, Danbury, CT
Abstract
Low field nuclear magnetic resonance (NMR) is used as a non-invasive method for detecting spoiled tomato paste. It is shown that the 1H T1 and T2 relaxation times change as tomato paste spoils due to changes in viscosity and/or changes in the concentration of paramagnetic compounds. With the goal of developing a spoilage detector that can be used in a tomato processing facility, a γBo = 19.5 MHz single-sided handheld NMR instrument is used. Due to the dominance of diffusion on relaxation measurements made with the single sided instrument, the slope of the amplitude of a spin echo for three different delay times is used to provide a viscosity dependent parameter that permits the differentiation between pristine and spoiled tomatoes.One-Sided NMR - Non-Invasive Analysis of  Tomato Paste

One-Sided NMR – Non-Invasive Analysis of Tomato Paste

 

Residual Catalytic Cracker – Heavy Petroleum Feedstream Properties from 1H NMR at 43 MHz

February 27, 2015 by process nmr Benchtop NMR, Chemistry, Chemometrics, Energy, NMR, PAT, Petroleum, Process NMR, qNMR, Reaction Monitoring, TD-NMR Tagged: NMR, Petroleum, RCC

Back in October we presented a talk at Gulf Coast Conference that concerned the prediction of the chemical and physical properties of heavy petroleum feeds being converted to higher value product in a residual catalytic cracker (RCC). Over the years we have analyzed these materials by 300 and 60 MHz NMR and obtained good PLS-regression models that can adequately predict properties for real-time process control and optimization in a petroleum refinery. With the advent of a large number of new benchtop NMR systems we have been convincing ourselves that these types of analyses can be performed by systems such as the Magritek Spinsolve 43 MHz. We ran a series of samples that had been sitting around our lab for 15 years by dissolving them at about 50 volume% in a 50/50 CDCl3/CS2 solvent system. For each sample we had laboratory test data for a number of chemical and physical properties of interest to process engineers. We regressed the lab data variability against the variability in the Magritek 43MHz 1H NMR spectra and obtained cross-validated PLS models. The presentation material is given here at this link – Gulf Conference Presentation – 43 MHz RCC Feedstream Regression Models

John Edwards to be Guest Editor of 2 Special Issues of Magnetic Resonance in Chemistry Dedicated to Benchtop NMR

January 20, 2014 by process nmr NMR, Process NMR, qNMR, TD-NMR

I have been invited to be a guest editor for Wiley publishing to pull together 2 special issues of Magnetic Resonance in Chemistry. I am putting out a general “call for papers” but I will harass people personally. We are looking for 10-20 papers for each issue.

The deadline for submission of the papers is June 30 so no-one has an excuse that there isn’t enough time. I do ask that you email me at the contact below to let me know that you are thinking of submitting and a title would be nice also (though I won’t hold you to it). We hope to have the review and revide papers (if necessary) by late October and then publish by December 2014.

The first will be on high resolution benchtop NMR in which I would like to include all permanent magnet systems capable of obtaining a spectrum. This is an open invitation to all the vendors and their customers of (in no particular order) Anasazi, Nanalysis, One Resonance Sensors, Magritek/ACT, Aspect, Qualion, Picospin, Resonance Systems, Oxford Instruments, Bruker, home built devices, I would also make the exception that HTS systems be included as they are also cryogen free.

Any papers on spectrometers, magnets, educational, industrial, academic applications, chemometrics, automated approaches, reaction monitoring, online/at-line utilization, 2D NMR, combined spectral/relaxation applications.

The second will be on low resolution benchtop NMR but I would like to exclude applications that have been around for decades (H content, SFC, oil content, spin finish). I would like to encourage new applications to be submitted and they should include hardware, magnets, spectrometers, probes, 1D/2D Laplace inversion (I’d love a review/overview of that software aspect), applications. Again – all vendors and all users of commercial and home grown benchtop TD-NMR systems please submit.

We’re looking for articles on FPGA spectrometers, software approaches (1D/2D Laplace, chemometrics), magnet design and construction, dedicated rheology analysis instruments, field cycling NMR, unilateral NMR, core analyzers, applications of all whether educational, academic, industrial.

The types of articles can be Reviews, Mini-Reviews, Tutorial, Historical, Spotlight, Perspective, Communication, Article, Application Note, Case Report, Spectral Assignments, Correspondence.

Here is the official word on the use of color (note you can have all the color figures you wish in the online version but the print version is restricted): two colour illustrations per submission are allowed free of charge, however further colour illustrations are allowed at the Editors discretion and where they are justified. Authors can have as much colour as they like in the online version as the restrictions are just for the print version.

Please contact me directly if you would like to make a submission of your work to either of the two issues: john@process-nmr.com

I have posted the authors instructions for special Issues that I was given on my website at:
https://process-nmr.com/pdfs/MRC_Submission_instrux.pdf

The MRC author guidelines can be found at:
http://onlinelibrary.wiley.com/journal/10.1002/%28ISSN%291097-458Xa/homepage/ForAuthors.html

Special Issue on Benchtop NMR systems in Wiley Journal “Magnetic Resonance in Chemistry” – please consider submitting a technical or review paper

December 18, 2013 by process nmr Chemistry, Chemometrics, NMR, PAT, Process NMR, qNMR, Reaction Monitoring, TD-NMR

I was just asked by Roberto Gil (Carnegie Mellon) to pull together a special issue if Magnetic Resonance in Chemistry” on the topic of Benchtop NMR. I will personally be hitting up everyone I know who is working in this area to provide technical papers on their work in this area. I also wanted to extend an invitation to the members of this group to submit a paper for this special issue.

All topics will be considered but I would like to stay away from “traditional” 1H TD-NMR and restrict 1H TD-NMR applications to new approaches. On the high resolution side (45, 60, 80 MHz) I am hoping that applications with some real meat might be submitted rather than brochure type papers with just spectra of solvents and small molecules.

Please feel free to contact me directly if you have ideas on submissions. My contact information is listed below.

Sincerely,
—
John C. Edwards, Ph.D.
Manager, Process and Analytical NMR Services
Process NMR Associates, LLC
87A Sand Pit Rd, Danbury, CT 06810, USA
Tel: +1 (203) 744-5905 Cell: +1 (203) 241-0143
Skype: jcepna
e-mail: john@process-nmr.com

  • Go to page 1
  • Go to page 2
  • Go to page 3
  • Interim pages omitted …
  • Go to page 5
  • Go to Next Page »

Primary Sidebar

  • Home
  • About Us
    • About Process NMR
    • Our History
    • Facilities
    • Applications
    • Chemometrics
    • News and Events
  • Services
    • Price List
    • Submission Form
    • Liquid NMR
    • Solid NMR
    • Benchtop NMR
    • Consulting
    • Automated Applications
    • Expert Witness
  • Expertise
    • CV
    • Presentations
    • Reviews and White Papers
  • Blog
  • Contact

Categories

  • Beer
  • Benchtop NMR
  • Chemistry
  • Chemometrics
  • Cider
  • Craft Beverage
  • Energy
  • ESR
  • Herbal Supplement
  • IR-ATR
  • NIR
  • NMR
  • NMR Test Methods
  • NMR Validation
  • PAT
  • Petroleum
  • Process NMR
  • qNMR
  • Reaction Monitoring
  • TD-NMR
  • Uncategorized

Meta

  • Log in
  • Entries feed
  • Comments feed
  • WordPress.org

Follow Us

Follow us on social media to stay on track with the latest news.

Twitter
Facebook
RSS

Search

Blogroll

  • Carlos' NMR Software Blog
  • Mestrelab Blog – NMR Data Processing Software
  • NMR Wiki
  • Stan's NMR Blog
  • University of Ottawa – NMR Facility Blog
  • Home
  • About Us
  • Services
  • Expertise
  • Blog
  • Contact

Copyright © 2023 · Process NMR · All Rights Reserved.
Handcrafted with by Studiodog Group