At a time when the devastating impact of drug misuse is felt deeply by individuals and society at large, there is an undeniable need for both qualitative and quantitative analyses of illicit substances. Public Health England's data reveals the extensive costs incurred by the United Kingdom, covering areas such as healthcare services, law enforcement, fatalities, and drug-related crimes. One drug that remains a significant concern is 3,4-methylenedioxymethamphetamine (MDMA), commonly known as 'ecstasy.' Particularly among young adults and in nightlife settings, MDMA is one of the most popular s ..read more

When analyzing polymers using nuclear magnetic resonance (NMR) spectroscopy, well-defined end-groups (e.g., methoxy, acrylate, vinyl) are typically desired, as these allow for a direct comparison between these end-groups and the repeating monomeric units. This provides a path for rapid and facile determination of the number of repeating units in a polymer, as well as its number-average molecular weight (Mn).1 However, many polymers and raw materials used for polymer production are terminated with hydroxyl functionalities, which cannot be used for these purposes, due to their high lability and ..read more

One of the questions that we always get at tradeshows and conferences is how our instrument compares to high-field data. There are significant inherent differences between low-field and high-field instruments, but the most important from a chemistry point of view are sensitivity (S/N) and resonance dispersion (signal separation). 1. Sensitivity. The signal to noise ratio (S/N) is proportional to the formula in Figure 1. For the same sample acquired at 60 vs. 400 MHz the theoretical SNR ratio is 17.2, and vs. 600 MHz is 31.6. FIGURE 1. n: # NUCLEI IN RESONANCE; γe ..read more

Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful technique used in various scientific fields and it is an indispensable tool for scientists to elucidate and probe the structural and chemical properties of molecules. Whether you are a beginner or an experienced user, it is paramount to prepare a high-quality NMR sample to obtain the most accurate and reliable results possible. In solution-state NMR, selection of the correct NMR solvent and ensuring an appropriate sample volume in the NMR tube are crucial factors to obtain good quality spectra. Recommendations Before preparing the NM ..read more

Due to their roles as crucial agricultural components, pesticides and fertilizers have been the subject of much study.1 As subclasses of pesticides, herbicides and insecticides have additionally been on the receiving end of much criticism over the years.2 These products are controlled by both health and regulatory agencies, and several methods exist for the qualitative and quantitative analysis of their active ingredients, as well as the rest of their commercial formulations.3 While 1H remains the most widely used nuclide for NMR, heteronuclear NMR offers an elegant alternative for these anal ..read more

Tautomers are constitutional isomers that interconvert into each other by an exchange reaction, most commonly a proton transfer. Such two isomers can for example be a ketone and an enol. Keto-enol tautomerism (KET) becomes possible when there are hydrogen atoms adjacent to a carbonyl group (these hydrogen atoms are called α hydrogens). This tautomerism is depicted in Scheme 1 and is also discussed more here. SCHEME 1. KET IN GENERAL. In Figure 1 the 1H NMR spectrum of the β-diketone dimedone (1) (pKa ≈ 9)[1] acquired on the 60 MHz is depicted. We also used this molecule as a su ..read more

If there is one thing that I could say describes the holiday season best, it would have to be the delicious treats I get to indulge in, such as: gingerbread cookies, pies, peppermint bark, and so many more. Wafting in the aroma of baked goods always gives me butterflies in my stomach and lights up my nuclear magnetic resonance (NMR) mind. This Christmas season, I would like to present you with some 1H NMR analysis of some spices that have traditionally defined the season for many people. These spices are nutmeg, ginger, allspice, and cloves. Is it possible that these all have something in comm ..read more

When analyzing polymers using nuclear magnetic resonance (NMR) spectroscopy, well-defined end-groups (e.g., methoxy, acrylate, vinyl) are typically desired, as these allow for a direct comparison between these end-groups and the repeating monomeric units. This provides a path for rapid and facile determination of the number of repeating units in a polymer, as well as its number-average molecular weight (Mn).1 However, many polymers and raw materials used for polymer production are terminated with hydroxyl functionalities, which cannot be used for these purposes, due to their high lability and ..read more

Recently, we employed 2,4-dichlorobenzotriflouride (DCBTF) as an internal calibrant for some 19F qNMR experiments. In this blog post let's look at carbon satellites in the 19F NMR spectra. In the 19F NMR spectrum of DCBTF, we can observe the singlet resonance of the trifluoromethyl fragment at δ = −63.07 ppm. While it might not jump into your eye at first glance, please note that the carbon satellites are not centered at the "main signal", which is what we are used to from 1H NMR spectra. The short explanation of this phenomenon is that the isotope effect leads to a different chemical shift ..read more

Green Chemistry is the composition of novel approaches to reduce the hazards for human health and environmental waste in chemical synthesis.1 Thus, the methodologies developed focus on minimizing by-products and solvents that pose harm to humans and the environment. As benchtop NMR does not require cryogens, it is an excellent instrument to support the principles of green chemistry. Our spectrometers reduce the exposure and expense of liquefied gases (such as nitrogen and helium) utilized mostly in high-field NMR. One principle of green chemistry is developing methodologies that focus on atom ..read more