Project

ELEGANT NMR: Benchtop sized NMR Spectrometer capable of conductiong chemical analysis of liquid volumes of 1 nL

Goal: The project pertains to advances in real-time methods in nuclear magnetic resonance by offering:

1. a new real-time processing method for nuclear magnetic resonance (NMR) spectrum acquisition without external resonator(s), which remains stable despite magnetic field fluctuations,

2. a new processing method for nuclear magnetic resonance spectrum acquisition, which remains stable despite magnetic field fluctuations and resonator stability,

3. a new method of constructing predetermined magnets from appropriate magnetic material that allows for focusing the magnetic field in a target region,

4. a new dual frequency dynamic nuclear polarization (DNP) generator that polarizes the spin of electrons and acts as an NMR transmitter,

5. chromatography detectors incorporated into a separation column and/or plate, including versions with many layers of stationary phases that perform NMR measurements along the entire area, allowing optimization of chromatography parameters during separation and the measurement of different intermolecular interactions between different stationary phases and detected substances, which permits qualitative and quantitative determination of composition without need for the complete separation of substances in the measured mixture; real-time switches; and executive/actuator devices enabling but not limited to detection in tube.

Methods: Parallel Computing, Numerical Analysis, Numerical Simulation, ADC, FPGA, Permanent Magnets, Embedded Programming

Date: 28 August 2016

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Project log

Ilgis Ibragimov
added an update
Find a substance and its spatial conformers and stereoisomers in our new free database in 5 seconds! No access restrictions, free for everyone!
The database contains 102 million chemical compounds, 86 million molecular graphs, and 1.7 billion spatial conformers, including enantiomers! It is constantly updated with new results from molecular mechanical calculations and, in the near future, will be expanded to include DFT ab initio calculations and heteronuclear DNP NMR spectra.
At the moment, the database is constantly updated with new results of molecular mechanical calculations, and, in the near future, will be improved using DFT ab initio and heteronuclear DNP NMR spectra.
To carry out a quick and effective search for substances in the database, simply follow our prompts in the free "Search for Molecules in the Database" webtool at
After your searches, please leave comments! Your feedback will be very useful for our volunteer project!
 
Ilgis Ibragimov
added 3 research items
The invention pertains to advances in real-time methods in nuclear magnetic resonance by offering: a new real-time processing method for nuclear magnetic resonance (NMR) spectrum acquisition without external resonator(s), which remains stable despite magnetic field fluctuations, a new processing method for nuclear magnetic resonance spectrum acquisition, which remains stable despite magnetic field fluctuations and resonator stability, a new method of constructing predetermined magnets from appropriate magnetic material that allows for focusing the magnetic field in a target region, a new dual frequency dynamic nuclear polarization (DNP) generator that polarizes the spin of electrons and acts as an NMR transmitter.
The invention pertains to advances in real-time methods in nuclear magnetic resonance , magnetic resonance imaging , and non-invasive medical ablation by offering : a new real-time processing method for nuclear magnetic resonance (NMR) spectrum acquisition without exter nal resonator (s) , which remains stable despite magnetic field fluctuations , a new processing method for nuclear magnetic resonance spectrum acquisition , which remains stable despite magnetic field fluctuations and resonator stability , a new method of constructing predetermined magnets from appropriate magnetic material that allows for focusing the magnetic field in a target region , new dual frequency dynamic nuclear polarization (DNP) generator that polarizes the spin of electrons and acts as an NMR transmitter , a new real-time processing method for visualizing , tar geting , and guiding surgical and other non-invasive processes , and a new method of non-invasive ablation , heat generation , and chemical reaction activation inside the human body to support a fully automatic or semi-automatic surgical procedure without the use of invasive devices , thus providing material reduction in risk to patient safety.
The invention pertains to advances in constructing predetermined magnets from appropriate magnetic material that allows for focusing the magnetic field in a target region.
Ilgis Ibragimov
added an update
Just share a picture of our magnets before they are polished, coated on nickel and placed in the device.
I find amazing that two magnets with 1.6T can stay so close to each other without interaction.
Indeed it is due to the fact that Halbach half spheres have almost zero magnet field outside main axis. Hope this fact will improve lifespan of our equipment.
 
Ilgis Ibragimov
added an update
We are again too slow with the further development - sorry! Actually, magnet manufacturing together with coils assembly took too much time, because some of fabrication parts was not performed in our laboratory and logistics took additional time effort.
We've recently bought several industrial and scientific equipment to make this production at our lab and hope to be faster now.
 
Ilgis Ibragimov
added an update
We have successful production results with Mn-Bi + Mn-Al mixture for our casted Halbach magnets and expecting soon to complete our first production batch of magnets and devices. Magnets are casted on ca. 600C on ca. 4T field and resulting good (>1T) residual magnetization. We will run test production batch soon and finally report achieved magnetic field.
 
Ilgis Ibragimov
added an update
Our best wishes for new 2018 year!
The electronics of Elegant-NMR Stick are ready now and the first batch will be completed in 1-2 weeks. Magnets are about to finish.
Early next year (ASAP) we expect to deliver first batch of our NMR spectrometers.
Sincerely,
Elegant NMR Team
 
Ilgis Ibragimov
added an update
We have redesigned our electronics using new hardware, and hope that we do not meet supplier problems as it was with Intel Edison/Joule boards discontinuity.
Up to now, we have following hardware parameters achieved:
1. lowest hardware sensitivity 0.3uV,
2. hardware clock and magnets stability with our numerical correction 0.2-0.5Hz,
3. 64 treads/cores in FPGA part allowing to compute ca. 1e10 trigonometric functions per second (you need modern Xeon or GPU to achieve similar performance),
4. receiving part power consumption is about 7-10W, transmitter - depending on the experiment type 2-15W with 10-25W total power consumption,
5. powered from PoE with additional connector (option) for 12-60V for autonomous work,
6. 1GB RAM (2GB option), and 32GB ROM (64GB option) to handle large multidimensional NMR experiments.
I will share soon an update related to our magnets.
 
Ilgis Ibragimov
added an update
We are still on the way to cast our magnets with Halbach structure with target 2-3T field on permanent magnets.
Since we are manly focusing on AlNiCo casted magnets, we are fighting with the situation when high magnetic field is situated near to the casted magnets. Our first attempt to use Al2O3 aerogels help us to sustain high temperature gradient between casted magnets (700-1000C) and cold electromagnet coils (room temperature).
We are expecting to get positive results with casting our magnets within 2-3 next weeks.
PS: please, do not hesitate to contact me here or directly by e-mail regarding to your suggestions and questions!
 
Ilgis Ibragimov
added an update
We are delaying... We are regretfully informing that we are delaying with beta and delivery. Please, excuse us a lot! Following facts influenced to this situation:
  • we are redesigning main interface computer switching from Intel Edison (suddenly discontinued in June 2017) to Intel Cyclone V-SoC,
  • we are changing magnet supplier,
  • total power requirements of our device does not fit into USB 2.0, and can be only powered from 15V/2A USB 3.1, actually this standard is not yet common, so we are switching to Power-over-Ethernet (PoE) dropping native USB support (USB can be still used with appropriate adapter).
We do not expect other factors that may occur finalizing this project.
 
Ilgis Ibragimov
added an update
We have recently decided to sinter/cast magnets in our lab since our magnet supplier changed its technology. It caused a delay with the  project updates since we had no reasonable magnets for our electronics.
We expect to have the first batch of the magnets produced in our lab in a few weeks. Up to now we have successfully casted the first magnet  with about 2T with Halbach structure on AlNiCo!
 
Ilgis Ibragimov
added an update
Preparing for multidimensional NMR in our portable size: a resonator unit with 90fs jitter with numerical correction of the stability equal to ca. 1/4ppb, i.e. about 0.05Hz on 1.4T
 
Ilgis Ibragimov
added an update
Just soldered and assembled pre-beta, comprising on
  • 32-40 dB pre amplified 160MHz dual channel 16 bits ADC in wide band two channels receiver,
  • 185 Watt peak power four channels transmitter,
  • 5CEBA4 Altera-Intel 5 Cyclone with 132 soft SIMD soft processor cores working on 40 GFlop/s sustained computational performance,
  • Dual Atom with 1 GB main memory and 4 GB NAND running Linux,
  • powering from 21 DC-DC converters, and
  • is ready for all non-zero-spin isotopes multidimensional NMR spectra with non-uniform sampling.
It is now on the mechanical department for preparation of chemical tests beginning next week.
 
Ilgis Ibragimov
added an update
The forum on our site is updated http://www.elegant-nmr.com/forum_nmr/ here we demonstrate electronics inside of our spectrometer and how it is developed now, together with some technical achievements. You are welcome to ask related question here or on said forum.
 
Ilgis Ibragimov
added an update
Hi,
just added a reference to "The Multi-Dimensional Decomposition with Constraints" paper - it is description of important algorithm that runs in our hardware.
Sincerely,
Ilgis
 
Ilgis Ibragimov
added a project reference
Ilgis Ibragimov
added an update
Just sharing main scheme implemented in our spectrometer, detailed description is available on a paper from my previous update or directly at our web site at http://www.elegant-nmr.com/
 
Ilgis Ibragimov
added an update
In this paper we disclosed main idea behind our new technology, further mathematical papers with rigorous proof will be available soon.
You are welcome to comment it!
 
Ilgis Ibragimov
added an update
First preliminarly experiments are avaiable at www.elegant-nmr.com -> Applications, I will update you with new results soon
 
Ilgis Ibragimov
added a project goal
The project pertains to advances in real-time methods in nuclear magnetic resonance by offering:
1. a new real-time processing method for nuclear magnetic resonance (NMR) spectrum acquisition without external resonator(s), which remains stable despite magnetic field fluctuations,
2. a new processing method for nuclear magnetic resonance spectrum acquisition, which remains stable despite magnetic field fluctuations and resonator stability,
3. a new method of constructing predetermined magnets from appropriate magnetic material that allows for focusing the magnetic field in a target region,
4. a new dual frequency dynamic nuclear polarization (DNP) generator that polarizes the spin of electrons and acts as an NMR transmitter,
5. chromatography detectors incorporated into a separation column and/or plate, including versions with many layers of stationary phases that perform NMR measurements along the entire area, allowing optimization of chromatography parameters during separation and the measurement of different intermolecular interactions between different stationary phases and detected substances, which permits qualitative and quantitative determination of composition without need for the complete separation of substances in the measured mixture; real-time switches; and executive/actuator devices enabling but not limited to detection in tube.