Biodiesel Research: How Can NMR Improve Workflow?

Biodiesel Research: How Can NMR Improve Workflow?

Biodiesel is a clean-burning, less-viscous, lubricating, and high-heating value fuel. But it's critical to evaluate many of the components that are regulated in biodiesel standardization. Fortunately, one of the many benefits of NMR applications is that NMR spectroscopy can help to improve the workflow in biodiesel research. But just how does NMR spectroscopy boost biodiesel workflow?

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2D NMR Experiments - HETCOR

2D NMR Experiments -  HETCOR

2D NMR experiments can provide an abundance of information for the structural elucidation of chemical compounds. An older example of a 2D experiment is the heteronuclear correlation (HETCOR) sequence. In this experiment, two different nuclei (usually 13C and1H) are correlated through single bond spin-spin coupling, revealing which proton and carbon groups are bonded to each other.

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NMR Spectroscopy Vs. Relaxometry: What's The Difference?

benchtop nmr spectrometer

Magnetic resonance (NMR) spectroscopy is the absorption of electromagnetic radiation, typically in the radio wave frequency range, by a nucleus. This causes a change in the molecular ‘spin’ that can be observed for a period of time, for liquid state spectroscopy usually on the order of seconds, over which it relaxes to equilibrium. It's used as an analytical technique and in diagnostic body imaging as well as many other applications including drug discovery.

While both NMR spectroscopy and relaxometry use magnetic resonance properties and involve the same absorption of radio waves, NMR spectroscopy gives chemically specific information about each part of a chemical structure, whereas relaxometry provides information about the bulk properties of a sample being measured.  

What is NMR relaxometry?

Relaxometry refers to the measurement or study of relaxation variables in nuclear magnetic resonance and magnetic resonance imaging. Nuclear magnetic moments in NMR are used to measure specific chemical and physical properties of bulk materials.  This is done via a collection of an FID and either looking at intensity differences at two points or performing an inverse Laplace transform to determine rapid vs. slow relaxation. 

Relaxation of the nuclear spin system is vital for all NMR applications, in both spectroscopy and relaxometry.  The difference is the homogeneity of the field, the data treatment and the amount of information that is contained in the FID. The relaxation rate of the nuclear spin system depends on the mobility of the microscopic environment. 

It also depends on the strength of the applied magnetic field.  Strong magnetic fields cause an increased sensitivity on fast dynamics. But low fields lead to an increased sensitivity on slow dynamics. Because of this, how the relaxation rate functions in relation to the magnetic field strength serves as a fingerprint of the microscopic dynamics.

NMR spectrometers and relaxometers

While relaxometry measurements can be performed on both spectrometers (highly homogenous fields) and relaxometers (low homogeneity fields), typically NMR relaxometers are separate devices that perform relaxation compared to a known suite of samples. This helps to aid data analysis and determine desirable parameters according to the specific applications - solid fat content (SFC) is a common one for example.  This helps to save time and resources in a variety of applications such as food science.

NMR relaxometry is used in food science to determine moisture content, solid fat content, and more. But some benchtop NMR spectrometers such as the NMReady-60PRO can not only perform the fundamental experiments involved in NMR spectroscopy but also those in NMR relaxometry.

NMReady is capable of measuring high-resolution 1D 1H NMR acquisition, which provides invaluable information through speciation, including fatty acid profiles in fish oil or olive oil, for example.  You can also use NMReady to validate product claims.

Looking for benchtop NMR spectrometers for your lab?

Nuclear magnetic resonance is one of the most useful analytical methods in modern chemistry, and now with benchtop NMR spectrometers, you can use NMR spectroscopy in your own lab. To learn more about benchtop NMR spectrometers, NMR spectrometer applications, and NMR interpretation software, contact Nanalysis today.

How Can NMR Be Used For Reaction Monitoring?

nmr spectrometer

Creating new drugs isn't cheap. In fact, it can be outrageously expensive. That's why reducing costs in all parts of the drug discovery and delivery road map is a top priority in the pharmaceutical and chemical industry.

When chemists know what's happening in real-time, they can control the reactions in the process vessels. This increases product purity and yields and reduces side-reactions and by-products. That's where reaction monitoring comes in.

What is reaction monitoring?

Reaction monitoring is a process that's used during the research manufacturing phases of drug discovery and delivery. It helps chemists deliver reliable, cost-efficient, and safe processes.

Reaction monitoring can be used to optimize process conditions - including temperature, duration, pH, etc.  Once optimized, chemically specific monitoring can also be used to make sure that the reaction is progressing as as chemists expected. To monitor reactions, there are many instrumental techniques. While Infrared (IR) spectroscopy is one of the most common, it is limited by: 1) turbid solutions; 2) the need for extensive calibration; and 3) inability to discriminate between structural isomers.  This is why NMR is favourable.  

How can NMR be used as an instrumental technique?

NMR Spectroscopy is the technique of choice for most organic synthesis, because it provides researchers with evidence of molecular structure in a qualitative and quantitative manner. 

NMR is used to identify organic compounds quickly and reliably so chemists can determine what has been made at each stage of the reaction monitoring process. This includes any unexpected by-products that may impact the drug discovery road map.

Recent technological advances have enabled benchtop NMR spectrometers to be developed, and any NMReady-60e or 60PRO can convert into an online detector for in-lab reaction monitoring. This is beneficial for lab-based organic chemists.

Chemists can use an NMReady-flow accessory and recommended liquid handling system to automate repeated syntheses, improve reaction safety and yield, integrate the NMReady a centralized control system, and automatically or manually optimize and understand chemical reactions in real-time.

Where can I find a benchtop NMR spectrometer for my lab?

It's no secret that modern chemistry has a major role to play in many different industries and applications. In fact, drug discovery is a multi-billion dollar industry and chemists play an integral role in many points on the industry road map.

Benchtop NMR spectrometers make it possible to use NMR spectroscopy and NMR interpretation software in the comfort of your own chemistry lab for reaction monitoring. For more information about tabletop NMR spectrometers and how they can be used for reaction monitoring, contact Nanalysis today.

Improve Workflow with Low Field NMR Spectrometers

Improve Workflow with Low Field NMR Spectrometers

In 1952 The Nobel Prize was awarded to Felix Bloch and Edward M Purcell for the first demonstration of the NMR 6 years earlier. This breakthrough changed the world of chemistry. The NMR spectrometer became the industry standard.

The evolution of the Nuclear Magnetic Resonance spectroscopy has been rapid. Recently low field NMR spectrometers have remade their way to market. Today, low field NMR spectrometers are the benchtop NMR spectrometer that provide an additional level of NMR workflow to increase accessibility, affordability and automatability of this powerful characterization technique. 

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Two solvents, two different spectra - Aromatic Solvent Induced Shifts

In my opinion, one of the most helpful papers[1]in the field of NMR spectroscopy in Organic Chemistry consists of ‘just’ two tables. In these, the chemical shifts (1Hand 13C) of as many as forty-two common impurities in twelve different deuterated solvents are listed. This is gold! Why? We know, that the signals of one and the same compound can show a rather high discrepancy in its chemical shifts in different solvents. But did you also know, that there is a concept called Aromatic Solvent Induced Shifts (ASIS), which benefits from this fact? 

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3 Ways Your Pharmacy School Can Benefit From Using NMR

3 Ways Your Pharmacy School Can Benefit From Using NMR

Nuclear magnetic resonance (NMR) is one of the most useful analytical methods in modern chemistry. In fact, NMR spectrometers are commonly used in drug discovery, which is a multi-billion dollar industry. Unfortunately, NMR spectrometers are often enormous. The good news is that there are benchtop NMR spectrometers so pharmacy school students can use and learn NMR in the lab.

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Heteronuclear Spin-Spin Coupling on the NMReady-60PRO

Heteronuclear Spin-Spin Coupling on the NMReady-60PRO

Spin-spin coupling is an important facet of 1H NMR spectroscopy, as crucial details about the structure of a molecule are revealed based on the pattern of multiplets observed. In general, the signal for a group of equivalent protons will be split into a multiplet based on the n+1 rule, where nis the number of equivalent protons that are adjacent to the protons. For example, the signal of the CH2 protons in an ethyl group will be observed as a quartet (adjacent to three equivalent protons; 3+ 1) while the signal for the CH3protons in the same ethyl group will be a triplet (adjacent to two equivalent protons; 2+ 1).

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