1H Spectra Research Articles

Highly visible bis-heterocyclic acridinium and xanthenium-based dyes: Synthesis, AIEE, and modacrylic dyeing

A series of highly visible new bis-heterocyclic acridinium and xanthenium-based dyes were synthesized and were characterized with 1H, 13C NMR, and HRMS spectra. These dyes showed excellent molar attenuation coefficient and fluorescence quantum yield. All the acridinium and xanthenium-based compounds were aggregation-induced enhanced emission (AIEE) active fluorophores. The restriction in rotation of the free rotary aryl group at the 9th position of acridinium and xanthenium-based compounds was one of the reasons for the AIEE activity. This phenomenon was supported by viscochromic studies. The compounds showed excellent fluorescence in varied pH that expands the scope of its usage in biological imaging. With commendable color brightness, molar absorptivity, reflectance, and emission, they were used in high visible modacrylic fabric dyeing for protective wear. The dyed fabrics were investigated for color coordinates and color strengths. The dyeing studies were compared with acridine orange and rhodamine B commercial standards. The lightfastness of compounds 3e and 4e were investigated with respect to commercial acridine orange and rhodamine B.

Benchtop versus high field NMR: Comparable performance found for the molecular weight determination of lignin

Lignin is a promising renewable biopolymer being investigated worldwide as an environmentally benign substitute of fossil-based aromatic compounds, e.g. for the use as an excipient with antioxidant and antimicrobial properties in drug delivery or even as active compound. For its successful implementation into process streams, a quick, easy, and reliable method is needed for its molecular weight determination. Here we present a method using 1H spectra of benchtop as well as conventional NMR systems in combination with multivariate data analysis, to determine lignin’s molecular weight (Mw and Mn) and polydispersity index (PDI). A set of 36 organosolv lignin samples (from Miscanthus x giganteus, Paulownia tomentosa and Silphium perfoliatum) was used for the calibration and cross validation, and 17 samples were used as external validation set. Validation errors between 5.6% and 12.9% were achieved for all parameters on all NMR devices (43, 60, 500 and 600 MHz). Surprisingly, no significant difference in the performance of the benchtop and high-field devices was found. This facilitates the application of this method for determining lignin’s molecular weight in an industrial environment because of the low maintenance expenditure, small footprint, ruggedness, and low cost of permanent magnet benchtop NMR systems.

A new‐type terephthalonitrile derivative flame retardant of bi‐DOPO compound with hydroxyl and amino groups on epoxy resin

AbstractA new‐type flame retardant DEZ of bi‐DOPO compound containing bi‐hydroxy and two amino groups, was synthesized from terephthalonitrile, hydroxylamine hydrochloride, and 9,10‐dihydro‐9‐oxa‐10‐phosphaphenanthrene‐10‐oxide, and used with curing agent 4,4′‐diamino‐diphenylmethane to prepare flame retard epoxy resin (EP) composites. 1H and 31P nuclear magnetic resonance spectra and Fourier transform infrared spectra have determined the chemical structure of DEZ. The properties of cured EP composites were explicitly evaluated by differential scanning calorimeter, thermogravimetric analysis, the limiting oxygen index (LOI), vertical burning (UL‐94) test, cone calorimetry test, and flexural test. The 1 wt% addition of DEZ could improve the EP composites by almost 14.4% of flexural strength and 29.6% of flexural modulus, respectively. The LOI of EP composites with 5 wt% of DEZ was 29.7% and EP composites reached a V‐0 rating in the UL‐94 test, as well as total heat release was decreased by 11.2%. All EP modified by DEZ exhibited a blow‐out effect in the combustion process, which was due to the release of pyrolysis gases and incombustible gases containing phosphorus radicals and nitrogen compounds.

Ultrahigh-Resolution NMR with Water Signal Suppression for a Deeper Understanding of the Action of Antimetabolic Drugs on Diffuse Large B-Cell Lymphoma.

Ultrahigh-resolution NMR has recently attracted considerable attention in the field of complex samples analysis. Indeed, the implementation of broadband homonuclear decoupling techniques has allowed us to greatly simplify crowded 1H spectra, yielding singlets for almost every proton site from the analyzed molecules. Pure shift methods have notably shown to be particularly suitable for deciphering mixtures of metabolites in biological samples. Here, we have successfully implemented a new pure shift pulse sequence based on the PSYCHE method, which incorporates a block for solvent suppression that is suitable for metabolomics analysis. The resulting experiment allows us to record ultrahigh-resolution 1D NOESY 1H spectra of biofluids with suppression of the water signal, which is a crucial step for highlighting metabolite mixtures in an aqueous phase. We have successfully recorded pure shift spectra on extracellular media of diffuse large B-cell lymphoma (DLBCL) cells. Despite a lower sensitivity, the resolution of pure shift data was found to be better than that of the standard approach, which provides a more detailed vision of the exo-metabolome. The statistical analyses carried out on the resulting metabolic profiles allow us to successfully highlight several metabolic pathways affected by these drugs. Notably, we show that Kidrolase plays a major role in the metabolic pathways of this DLBCL cell line.

New Tetra-dentate Schiff Base Ligand N2O2 and Its Complexes with Some of Metal Ions: Preparation, Identification, and Studying Their Enzymatic and Biological Activities

In present work, new tetra-dentate ligand, titled 3,5-bis ((E)-5-Bromo-2-hydroxy benzylidene amino) benzoic acid (H3L), was prepared via an acid-catalyzed condensation process. New four metallic ligand complexes with Co(II), Ni(II), Cu(II) and Zn(II) ions, were also prepared from the refluxing of equivalent moles. Ligand's structure and its complexes; were confirmed by numerous characterization methods, including Ultraviolet-Visible, Infrared, Mass Spectrometer, 1H and 13C Nuclear Magnetic Resonance spectra, atomic absorption, magnetic moments, and molar conductivity measurements. The results of the spectroscopic analyzes proved that the prepared ligand acts as tetradentate bi-ionic ligand and it was bonded to the metal ions by two nitrogen atoms of the two azomethine groups and by two oxygen atoms of the two phenolic hydroxyl groups after losing their two protons. Octahedral structure proposed to all prepared complexes. The (anti-bacterial) and (anti-fungal) activities of these compound were screened against (E. coli, S. aureus, Klebsiella spp., S. epidermidis,), and (Candida albicans). The results indicated that these compounds have moderated inhibition behavior. The activity of the prepared compounds against Acetyl Choline Esterase Enzyme (AChE) have also studied and the obtained data indicated the presence of different inhibition behavior.

2,2-Dichloro-N-[5-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydro-2H-pyrazol-2-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

The pharmacophore hybridization approach is widely used for the design of drug-like small molecules with anticancer properties. In the present work, a “cost-effective” approach to the synthesis of the novel non-condensed pyrazoline-bearing hybrid molecule with 1,3,4-thiadiazole and dichloroacetic acid moieties is proposed. The 5-amino-1,3,4-thiadiazole-2-thiol was used as a starting reagent, and the synthetic strategy includes stepwise alkylation of the sulfur atom and acylation of the nitrogen atom to obtain the target title compound. The structure of the synthesized 2,2-dichloro-N-[5-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydro-2H-pyrazol-2-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (yield 90%) was confirmed by 1H, 13C, 2D NMR and LC-MS spectra. Anticancer activity in “60 lines screening” (NCI DTP protocol) was studied in vitro for the title compound.

A Promising Thermodynamic Study of Hole Transport Materials to Develop Solar Cells: 1,3-Bis(N-carbazolyl)benzene and 1,4-Bis(diphenylamino)benzene.

The thermochemical study of the 1,3-bis(N-carbazolyl)benzene (NCB) and 1,4-bis(diphenylamino)benzene (DAB) involved the combination of combustion calorimetric (CC) and thermogravimetric techniques. The molar heat capacities over the temperature range of (274.15 to 332.15) K, as well as the melting temperatures and enthalpies of fusion were measured for both compounds by differential scanning calorimetry (DSC). The standard molar enthalpies of formation in the crystalline phase were calculated from the values of combustion energy, which in turn were measured using a semi-micro combustion calorimeter. From the thermogravimetric analysis (TGA), the rate of mass loss as a function of the temperature was measured, which was then correlated with Langmuir’s equation to derive the vaporization enthalpies for both compounds. From the combination of experimental thermodynamic parameters, it was possible to derive the enthalpy of formation in the gaseous state of each of the title compounds. This parameter was also estimated from computational studies using the G3MP2B3 composite method. To prove the identity of the compounds, the 1H and 13C spectra were determined by nuclear magnetic resonance (NMR), and the Raman spectra of the study compounds of this work were obtained.

Photocatalytic Degradation of Rhodamine B and Malachite Green by Cobalt Sulfide Nanoparticles

Present study reports the simple and cost effective thermolytic method for the synthesis of cobalt sulphide nanoparticles (CoS NPs). The PXRD spectrum of cobalt sulphide (CdS) nanoparticles exhibited four peaks indexed to (100), (101), (102) and (110) crystal planes. The average particle size observed from DLS and PXRD was in the range 4.81-12.20 nm. A blue shift in band gap was observed from UV-visible spectra. The FESEM and TEM studies revealed that cobalt sulfide nanoparticles are of cubic and rectangle shapes. FTIR spectra of hexadecylamine (HDA) capped CoS NPs exhibited ν(N-H) absorption around 3350-3240 cm–1. The stretching frequency due to ν(Co-S) appeared in the region 334-332 cm–1. Proton NMR (1H) spectra of CoS NPs showed signals at nearly same positions as in case of capping agent, suggesting its capping nature. ESI-MS analyses of cobalt sulphide nanoparticles displayed peak at m/z = 124.93 corresponding to the [CoS2]+ ion. Thermogravimetric curves showed single step decomposition corresponding to 84.28% weight loss and 15.72% as final residue due to cobalt oxide. The degradation rate of rhodamine B and malachite green dyes after irradiating with sunlight showed 92-94% degradation while irradiated with UV-light of 4.8 eV show much slower degradation rate.

Structural insights into Lewis acid- and F4TCNQ-doped conjugated polymers by solid-state magnetic resonance spectroscopy.

Molecular doping strategies facilitate orders of magnitude enhancement in the charge carrier mobility of organic semiconductors (OSCs). Understanding the different doping mechanisms and molecular-level constraints on doping efficiency related to the material energy levels is crucial to develop versatile dopants for OSCs. Given the compositional and structural heterogeneities associated with OSC thin films, insight into dopant-polymer interactions by long-range techniques such as X-ray scattering and electron microscopy is exceedingly challenging to obtain. This study employs short-range probes, solid-state (ss)NMR and EPR spectroscopy, to resolve local structures and intermolecular interactions between dopants such as F4TCNQ (2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane), Lewis acid BCF (tris[pentafluorophenyl] borane) and Lewis base conjugated polymer, PCPDTBT (P4) (poly[2,6-(4,4-bis(2-hexadecyl)-4H-cyclopenta[2,1-b;3,4-b']dithiophene)-alt-4,7(2,1,3-benzothiadiazole)]). Analysis of 1H and 13C ssNMR spectra of P4, P4 : F4TCNQ and P4 : BCF blends indicates that the addition of dopants induces local structural changes in the P4 polymer, and causes paramagnetism-induced signal broadening and intensity losses. The hyperfine interactions in P4 : BCF and P4 : F4TCNQ are characterized by two-dimensional pulsed EPR spectroscopy. For P4 : F4TCNQ, 19F ssNMR analysis indicates that the F4TCNQ molecules are distributed and aggregated into different local chemical environments. By comparison, BCF molecules are intermixed with the P4 polymer and interact with traces of water molecules to form BCF-water complexes that serve as Brønsted acid sites, as revealed by 11B ssNMR spectroscopy. These results indicate that the P4-dopant blends exhibit complex morphology with different distributions of dopants, whereby the combined use of ssNMR and EPR provides essential insights into how higher doping efficiency is observed with BCF and a mediocre efficiency is associated with F4TCNQ molecules.

Identification of Potential Inhibitor Targeting InhA, Molecular Docking, ADMET, Molecular Dynamic Simulation and Antibacterial Activity of Thiazolidinone Derivatives: A Computational Approach

This study was performed to examine molecular docking of newly synthesised thiazolidinone compounds and discover potential InhA inhibitors. MIC screening produced thiazolidinone derivatives for Staphylococcus aureus illness. KBr pellet FT-IR spectra were collected on a Thermo Nicolet AVATAR-330 spectrometer. Bruker obtained 400 MHz 1H spectra of all chemicals in DMSO-d6. Five 4 thiazolidinone derivatives:4-(4-oxo-2-phenylthiazolidin-3yl)amino)benzyl)oxazolidin-2-one(8), ((2-(4 chlorophenyl)-4oxothiazolidin-3yl)amino)benzyl)- oxazolidin-2-one(9), ((2-(4-fluorophenyl)-4-oxothiazolidin-3 yl)amino)benzyl)oxazolidin-2-one(10), 4-(4-((4-oxo2-(p-tolyl)thiazolidin-3yl)amino)benzyl)oxazolidin-2-one(11) and 4-(4-((2-(4 methoxyphenyl)-4-oxothiazolidin3yl)amino)benzyl)oxazolidin-2-one(12) docked due to its vast biological usefulness. Molecular docking, ADMET, TOPKAT Toxicity, and molecular dynamic simulation were used to estimate drug-likeness for 1QG6. MIC screening of synthesised thiazolidinone derivatives against Staphylococcus aureus through disc diffusion. Molecular docking studies examining the inhibitory effect of produced substances suggest testing for MIC antibacterial activity. Compound 12's antibacterial activity against Staphylococcus aureus is compared to Ampicillin and Cefixime. Compound 12 is utilised as an alternate medication for Staphylococcus aureus

Design and applications of water irradiation devoid RF pulses for ultra-high field biomolecular NMR spectroscopy.

Water suppression is of paramount importance for many biological and analytical NMR spectroscopy applications. Here, we report the design of a new set of binomial-like radio frequency (RF) pulses that elude water irradiation while exciting or refocusing the remainder of the 1H spectrum. These pulses were generated using a combination of an evolutionary algorithm and artificial intelligence. They display higher sensitivity relative to classical water suppression schemes and tunable water selectivity to avoid suppressing 1H resonances near the water signal. The broad bandwidth excitation obtained with these RF pulses makes them suitable for several NMR applications at high and ultra-high-field magnetic fields.

Frozen water NMR lineshape analysis enables absolute polarization quantification.

Typical magnetic resonance experiments are routinely limited by weak signal responses. In some cases, the low intrinsic sensitivity can be alleviated by the implementation of hyperpolarization technologies. Dissolution-dynamic nuclear polarization offers a means of hyperpolarizing small molecules. Hyperpolarized water is employed in several dynamic nuclear polarization studies, and hence accurate and rapid quantification of the 1H polarization level is of utmost importance. The solid-state nuclear magnetic resonance spectrum of water acquired under dissolution-dynamic nuclear polarization conditions has revealed lineshapes which become asymmetric at high levels of 1H polarization, which is an interesting fundamental problem in itself, but also complicates data interpretation and can prevent correct estimations of polarization levels achieved. In previous studies, attempts to simulate the 1H spectral lineshape of water as a function of the 1H polarization led to significant disagreement with the experimental results. Here we propose and demonstrate that such simulations, and therefore polarization quantification, can be implemented accurately, in particular by taking into account the detector dead time during 1H signal acquisition that can lead to severe spectral distortions. Based on these findings, we employed an echo-based radiofrequency pulse sequence to achieve distortion-free 1H spectra of hyperpolarized water, and adequate simulations of these echo-based spectra were implemented to extract the absolute 1H polarization level from the hyperpolarized water signal only, thus alleviating the need for lengthy and insensitive measurements of thermal equilibrium signals.

Microwave synthesis, Characterisation and Biological activities of transition metal complexes with Novel SNSN Donor Schiff base ligand

A novel Schiff base (E)-N-(pyridine-2-yl)thiophen-2-ylmethylene)hydrazine carbothioamide (L), was synthesised by the condensation of thiophen-2-carbaldehyde and N-(pyridin-2-yl)-hydrazinecarbothiamide, using solvent free microwave synthesis. The Co(II), Ni(II), Cu(II) and Zn(II) complexes of the ligand were also prepared. They were characterised by elemental analysis, EI-mass spectrum, 1H & 13C-NMR spectrum, FTIR, UV-Vis spectra, magnetic, EPR spectra and thermal analysis. The “SNSN” donor ligand binds the metal ion in tetradentate mode through thiophenyl and thioenolic sulphur atoms and imino and pyridine nitrogen atoms. The electronic spectra along with magnetic measurements demonstrate tetrahedral geometry for Co(II), Ni(II) and Zn(II) complexes whereas square planar geometry for CuL complex. All the complexes were found to be thermally stable from thermogravimetric studies. The complexes show enhanced antibacterial activity than the ligand against various bacterial strains. The BSA binding activity of the complexes shows that the affinity for binding was greater towards copper complex. The cytotoxicity of the ligand and its complexes were tested on HT29 colon cancer cells using MTT assay.

A fast microfluidic mixer enabling rapid preparation of homogeneous PEG and bicelle media for RDC in NMR analysis

Residual dipolar couplings (RDCs) are widely used in NMR for the investigation of protein structure and dynamics. However, commonly used RDC media (e.g., C12E5/Hexanol/H2O or PEG system, lipid bilayer or bicelle system) are unstable viscous liquids, making it challenging to obtain stable and homogeneous NMR samples by laborious manual operation. In this paper, we report a unique fishhook-shaped micromixer (FS-mixer) that enables fast and thorough mixing of high-viscosity PEG and bicelle media for RDC analysis. Numerical simulations and experimental characterizations proved that the micromixer could achieve a complete mixing of viscous liquids in 382.4 μs, improved significantly over current mixers. In compared to manually prepared RDC samples, the on-chip prepared samples have a better uniformity and alignment efficiency, and show more stable peak split in the 2H spectrum. As a proof of concept, we prepared a RDC sample for INSM1 ZF1-2 protein by using this FS-mixer. The IPAP-HSQC spectra demonstrated that this strategy can efficiently prevent the generation of low resolution and distorted spectra, which could facilitate further refinement of the NMR structure. This micromixer-assisted sampling method greatly simplifies the procedure, increases the media uniformity and stability, and shortens the time in RDC analysis. We believe it could serve as a useful tool in RDC-based NMR analysis.

Biophysical Investigation of the Interplay between the Conformational Species of Domain-Swapped GB1 Amyloid Mutant through Real-Time Monitoring of Amyloid Fibrillation.

Mutant polypeptide GB1HS#124F26A, which is known to aggregate into amyloid-like fibrils, has been utilized as a model in this study for gaining insights into the mechanism of domain-swapped aggregation through real-time monitoring. Size exclusion with UV monitoring at 280 nm and dynamic light scattering (DLS) profiles through different time points of fibrillation reveal that the dimer transitions into monomeric intermediates during the aggregation, which could further facilitate domain swapping to form amyloid fibrils. The 1D 1H and 2D 1H–13C HSQC nuclear magnetic resonance (NMR) spectra profiling through different time points of fibrillation reveal that there may be some other species present along with the dimer during aggregation which contribute to different trends for the intensity of protons in the spectral peaks. Diffusion NMR reveals changes in the mobility of the dimeric species during the process of aggregation, indicating that the dimer gives rise to other lower molecular weight species midway during aggregation, which further add up to form the oligomers and amyloid fibrils successively. The present work is a preliminary study which explores the possibility of utilizing biophysical methods to gain atomistic level insights into the different stages of aggregation.

Synthesis and isomerism of 2-benzoyl-5,12-dimethoxy-3-heteryl-1,2,3,4-tetrahydronaphtho[2,3-g]phthalazine-6,11-diones

The cyclocondensation of the bielectrophile 2,3-bis(bromomethyl)-1,4-dimethoxyanthracene-9,10-dione with several heteroyl-benzyl hydrazides with the formation of exofunctionalized tetracyclic quinoid systems was studied. Different numbers of products were isolated by liquid chromatography for different hydrazides. The products were identified as atropisomers. Generally, only one isomer was isolated for N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide, while two and three isomers were isolated for N'-(6-chloropyridazin-3-yl) benzohydrazide and for N'-(4-chlorophthalazin-1-yl) benzohydrazide, respectively. To determine their structure, modeling of the geometries and NMR spectra by DFT methods was performed. The structure of the obtained isomers was established based on 1H, 13C NMR and NOESY spectra, the results well agree with the simulation results.

Dynamical properties of lithium borohydride – ammine composite LiBH4·NH3: A nuclear magnetic resonance study

The lithium borohydride – ammine composite LiBH4·NH3 exhibits a high hydrogen density and combines [BH4]− anions and neutral NH3 molecules within the common crystal structure. To study the dynamical properties of this compound, we have measured the 1H, 11B, and 7Li nuclear magnetic resonance (NMR) spectra and spin-lattice relaxation rates over the temperature range of 18 – 293 K. Our measurements have revealed a coexistence of four types of BH4 reorientational jump processes with different activation energies. One of these processes corresponds to extremely fast BH4 reorientations with the jump rate reaching ~108 s−1 already at 95 K; this fast process is characterized by the activation energy of 78(2) meV. The local coordination of [BH4]− anions in LiBH4·NH3 suggests that the fastest process is represented by rotations around a single 3-fold symmetry axis of the BH4 tetrahedron. The slower processes characterized by the activation energies of 152(5) meV, 216(7) meV, and 297(10) meV may be attributed to reorientations around other symmetry axes of the BH4 tetrahedron. In the studied temperature range up to 293 K, we have not found any signs of diffusive Li+ jumps in LiBH4·NH3 at the frequency scale of ~104 s−1 or higher.

Anion reorientations and cation diffusion in a carbon-substituted sodium nido-borate Na-7,9-C2B9H12: 1H and 23Na NMR studies

Abstract Polyhydroborate-based salts of lithium and sodium have attracted much recent interest as promising solid-state electrolytes for energy-related applications. A member of this family, sodium dicarba-nido-undecahydroborate Na-7,9-C2B9H12 exhibits superionic conductivity above its order-disorder phase transition temperature, ∼360 K. To investigate the dynamics of the anions and cations in this compound at the microscopic level, we have measured the 1H and 23Na nuclear magnetic resonance (NMR) spectra and spin-lattice relaxation rates over the temperature range of 148–384 K. It has been found that the transition from the low-T ordered to the high-T disordered phase is accompanied by an abrupt, several-orders-of-magnitude acceleration of both the reorientational jump rate of the complex anions and the diffusive jump rate of Na+ cations. These results support the idea that reorientations of large [C2B9H12]− anions can facilitate cation diffusion and, thus, the ionic conductivity. The apparent activation energies for anion reorientations obtained from the 1H spin-lattice relaxation data are 314 meV for the ordered phase and 272 meV for the disordered phase. The activation energies for Na+ diffusive jumps derived from the 23Na spin-lattice relaxation data are 350 and 268 meV for the ordered and disordered phases, respectively.

Structural characterization, analysis of hindered rotation and cytotoxic activity of N2 ,N4 ,N6 -triphenethyl-1,3,5-triazine-2,4,6-triamine

The 1H and 13C nuclear magnetic resonance spectra of N2 ,N 4,N6 -triphenethyl-1,3,5-triazine-2,4,6-triamine show features that suggest the hindered rotation about the carbon-nitrogen bond. A dynamic experiment was conducted at variable temperatures to determine the rotational barrier around this bond, which was also theoretically calculated and corroborated by density functional theory. X-ray diffraction analysis confirmed the compound structure and revealed the carbon-nitrogen partial double bond character, responsible for the restricted rotation. The infrared spectrum showed the characteristic bands, as expected. Finally, the cytotoxicity of this compound was evaluated in vitro against a human hepatocellular carcinoma cell line and exhibited a good antiproliferative action.

A Novel qNMR Application for the Quantification of Vegetable Oils Used as Adulterants in Essential Oils.

Essential oils (EOs) are more and more frequently adulterated due to their wide usage and large profit, for this reason accurate and precise authentication techniques are essential. This work aims at the application of qNMR as a versatile tool for the quantification of vegetable oils potentially usable as adulterants or diluents in EOs. This approach is based on the quantification of both 1H and 13C glycerol backbone signals, which are actually present in each vegetable oil containing triglycerides. For the validation, binary mixtures of rosemary EO and corn oil (0.8–50%) were prepared. To verify the general feasibility of this technique, other different mixtures including lavender, citronella, orange and peanut, almond, sunflower, and soy seed oils were analyzed. The results showed that the efficacy of this approach does not depend on the specific combination of EO and vegetable oil, ensuring its versatility. The method was able to determine the adulterant, with a mean accuracy of 91.81 and 89.77% for calculations made on 1H and 13C spectra, respectively. The high precision and accuracy here observed, make 1H-qNMR competitive with other well-established techniques. Considering the current importance of quality control of EOs to avoid fraudulent practices, this work can be considered pioneering and promising.