OOIR: Observatory of International Research

Papers

(The median citation count of Magnetic Resonance in Chemistry is 0. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-04-01 to 2025-04-01.)

Article	Citations
Multinuclear ¹H/¹³C/¹⁵N chemical shift assignment of therapeutic octreotide acetate performed at natural abundance	57
The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5‐(CF₃)₂Pz]Ag}₃	23
Structural elucidation and complete NMR spectral assignments of Monascus monacolin analogues	22
Characterization of fatty acid forms using benchtop NMR in omega‐3 oil supplements	20
Compositional analysis of multilayered plastic constituents and constituent mixtures using benchtop ¹H NMR spectroscopy	17
Detecting pore size distribution of activated carbon by low‐field nuclear magnetic resonance	16
Nuclear magnetic resonance/magnetic resonance imaging on lubricating greases: Observation of bleeding and aging	15
Quantitative at‐line monitoring of enzymatic hydrolysis using benchtop diffusion nuclear magnetic resonance spectroscopy	15
Determination of base oil content in lubricating greases by NMR	15
Issue Information	14
NMR Spectroscopic Reference Data of Synthetic Cannabinoids Sold on the Internet	14
Nuclear Magnetic Resonance Spectroscopic Characterization and Determination of the New Psychoactive Substance Benzylone: Application in a Biological Fluid	13
	12
Unlocking the Chemical Diversity of Plant Catharanthus roseus: Nuclear Magnetic Resonance Spectroscopy Approach	12
Cover Picture	12
Issue Information	12
Recent advances in the liquid‐phase ^6,7Li nuclear magnetic resonance	11
Benchtop nuclear magnetic resonance performance evaluation according to ASTM E691–22 on a population of instruments: Molar substitution determination in hydroxypropyl betadex as a case study for use i	11
Issue Information	10
The NMR added value to the green foodomics perspective: Advances by machine learning to the holistic view on food and nutrition	10
Issue Information	10
Application of 1,1‐ADEQUATE and DFT to correct¹³C misassignments of carbonyl chemical shifts for carbapenem antibiotics	9
	9
Effect of the chemical structure of a tetradentate equatorial ligand on the spin‐crossover properties of the Fe (III) complexes chain structures: Electron paramagnetic resonance study	9
A new amide from the fruiting bodies of Tricholoma bakamatsutake	9

A sulfur‐33 nuclear quadrupole resonance study of ³³S₂‐labeled L‐cystine	9
Issue Information	8
Selenate—An internal chemical shift standard for aqueous ⁷⁷Se NMR spectroscopy	8
Stereochemical assignment of four monoterpene glucoside derivatives from Turpinia montana Kurz by NMR study combined with CD spectroscopy	8
Non‐uniform sampling to enhance the performance of compact NMR for characterizing new psychoactive substances	8
Recent advances in solid‐state nuclear magnetic resonance spectroscopy of quadrupolar nuclei	8
Deciphering molecular structures: NMR spectroscopy and quantum mechanical insights of halogenated 4H‐Chromenediones	8
Solid‐state ³¹P and ¹⁰⁹Ag CP/MAS NMR as a powerful tool for studying of silver(I) complexes with N‐thiophosphorylated thiourea and thioamide ligands	8
Issue Information	7
	7
A supramolecular and liquid crystalline water‐based alignment medium based on azobenzene‐substituted 1,3,5‐benzenetricarboxamides	7
	7
	7
Enhancing Forensic Laboratories Through University Collaboration: Obtaining Conclusive Reports and Reference Materials via NMR	6
Overcoming NMR line broadening of nitrogen containing compounds: A simple solution	6
Polarization transfer methods for quantitative analysis of flowing mixtures with benchtop ¹³C NMR spectroscopy	6
Structural Elucidation and Complete NMR Spectral Assignments of Monascus Monacolin Analogs	6
Validation of temperature‐controlled rheo‐MRI measurements in a submillimeter‐gap Couette geometry	6
	6
The combination of inorganic phosphate and pyrophosphate ³¹P‐NMR for the electrodeless pH determination in the 5–12 range	6
Magnetic shielding of parahydrogen hyperpolarization experiments for the masses	5
Elucidating structure and dynamics of crystalline α‐zirconium phosphates intercalated with water and methanol by multinuclear solid‐state MAS NMR: A comprehensive NMR approach	5
Recent advances in liquid‐phase NMR of the coal‐derived products	5
Understanding the Interactions of Nanoparticles and Dissolved Organic Matter at the Molecular Level by ¹H 2D Multi‐Exponential Transverse Relaxation NMR Spectroscopy	5
NMR internal standard signal shifts due to cyclodextrin inclusion complexes	5
Time domain NMR: An alternative for study of the asphaltenes precipitated in petroleum	5
Revisiting the structure of Heliannuol L: A computational approach	5
Effect of Solvent on the Optical Rotation of Azatryptophan Derivatives	5
	5
To Gibbs or Not to Gibbs Effect of Entropic Contribution in the NMR Calculations of Flexible and Polar Molecules—Updating the DP4+App	5
Quantitative NMR using water as internal calibrant	5
Nuclear magnetic resonance relaxometry to monitor chromium (VI) reduction by hydrogen peroxide, ascorbic acid, and aluminum powder	5
Structure elucidation of olasubscorpioside C, a new rotameric biflavonoid glycoside from the stem barks of Olax subscorpioidea (Oliv)	5
Deciphering the Conformations of Glutathione Oxidized Peptide: A Comparative NMR Study in Solution and Solid‐State Environments	5
Issue Information	5
Increasing the Orthogonality of 4‐Pyridiniophenols: An NMR Study of Their Solvatomagnetism	4
Contributions towards variable temperature shielding for compact NMR instruments	4
Computational ¹⁹F NMR of trifluoromethyl derivatives of alkenes, pyrimidines, and indenes	4
Predicting ⁵¹V nuclear magnetic resonance observables in molecular crystals	4
	4
Application of aromatic amide‐derived atropisomers as chiral solvating agents for discrimination of optically active mandelic acid derivatives in ¹H nuclear magnetic resonance spectroscopy	4
	4
Computational NMR of natural products: On the way to super large molecules exemplified with alasmontamine A	4
RPA(D) and HRPA(D): Calculating NMR Spin–Spin Coupling Constants in Free Amino Acid Residues	4
Distance measurements to quadrupolar nuclei: Evolution of the rotational echo double resonance technique	4
Structure revision of the aporphine zizyphusine alkaloid from Semen Ziziphi Spinosae	4
CAT on MOUSE: Control and automation of temperature for single‐sided NMR instruments such as NMR‐MOUSE	4
Solid‐State NMR‐Assisted Dynamic Characterization of two Isostructural Solvates of 5α‐Bromo‐6β,19‐Epoxy‐Androstan‐3β,17β‐Diol Diacetate	4
	4
Triterpenes and limonoids of Cedrela: Distribution, biosynthesis, and ¹H and ¹³C NMR data	4

Issue Information	4
6aH‐Benzo[α]fluorene: NMR evidence of the unexpected product of the reaction of butyryl chloride with 1,2‐diphenylacetylene	3
Application of accelerated heteronuclear single quantum coherence experiments to the rapid quantification of monosaccharides and disaccharides in dairy products	3
Synthesis and characterization of novel conformers of (E)‐2‐(3‐nitro‐H‐imidazo[1,2‐a]pyridin‐2‐ylthio)‐N′‐benzylideneacetohydrazide derivatives	3
	3
Structural elucidation of lactone derivatives from Dendrobium pendulum	3
	3
The rise of the machines in chemistry	3
Five new seco‐labdane‐type diterpenoids from Caesalpinia latisiliqua	3
NMR spectroscopic discrimination of the enantiomer pairs of soman and bispinacolyl‐methylphosphonate and detailed analysis of the pinacolyl group ¹H NMR resonances	3
Stereochemical assignment of three new benzylisoquinoline alkaloids from Phaeanthus vietnamensis by NMR study combined with CD spectroscopy	3
Determination of the pK_a Value of a Brønsted Acid by ¹⁹F NMR Spectroscopy	3
A robust t₁ noise suppression method in NMR spectroscopy	3
Investigations on the defect structures for Mn²⁺ in CdSe nanocrystals and bulk materials and the criterion of occupation for Mn²⁺ in CdX (X = S, Se, Te) nanocrystals	3
Structure elucidation of a new bicoumarin derivative from the leaves of Dysoxylum parasiticum (Osbeck) Kosterm.	3
Structural determination of four manufacturing impurities of D&C Red No. 33	3
Simulation of oriented NMR spectra: Combining molecular dynamics and chemical shift tensor calculations	3
NMR spectroscopic and theoretical study on the isomerism of dimethyl benzodiazepine(diylidene)diacetates	3
Issue Information	3
Evaluation of alumina slurry dispersion by nuclear magnetic resonance relaxation as a comparison to conventional dispersion evaluation methods	3
Analysis of complex mixtures with benchtop nuclear magnetic resonance: Solvent suppression with T₂ and diffusion filters	3
Computational NMR of carbohydrates: 1. Glucopyranoses	3
Full configurational and conformational analysis of artemisinin by one‐bond carbon–carbon residual dipolar couplings at natural abundance	3
PDSFit: PDS data analysis in the presence of orientation selectivity, g‐anisotropy, and exchange coupling	3
An investigation of the role of transition metal ions impurities in CdO: Local structure and electronic properties	3
NMR in forensics	3
NMR spectroscopy study of new imidamide derivatives as nitric oxide synthase inhibitors	3
Signal amplification by reversible exchange (SABRE)	3
Potential of multiparametric characterization of foodstuffs by nuclear magnetic resonance to better predict microbial behavior	3
Contact‐mediated nucleation in melt emulsions investigated by rheo‐nuclear magnetic resonance	2
SimpleNMR: An interactive graph network approach to aid constitutional isomer verification using standard 1D and 2D NMR experiments	2
Cover Picture	2
Removing acoustic ringing baseline curvature in ¹³C NMR spectra for quantitative analyses	2
	2
Structural Elucidation and NMR Spectral Assignments of New Diphenyl Ether Derivatives From Liuweizhiji Gegen‐Sangshen Oral Liquid	2
Charting the solid‐state NMR signals of polysaccharides: A database‐driven roadmap	2
²⁷Al NMR diffusometry of Al₁₃ Keggin nanoclusters	2
Solution and solid‐state ³³S NMR studies of ³³S‐labeled taurine	2
Penindolacid A, a new indole alkaloid from the marine‐derived fungus Penicillium sp.	2
Issue Information	2
	2
	2
Reversibly Compressible Cross‐Linked Polystyrene Gels, Compatible With Toluene‐d₈ and Pyridine‐d₅, for Measurement of Residual Dipolar Couplings and Residual Chemic	2
Slice through the water—Exploring the fundamental challenge of water suppression for benchtop NMR systems	2
Intracellular pyruvate–lactate–alanine cycling detected using real‐time nuclear magnetic resonance spectroscopy of live cells and isolated mitochondria	2
Cryogen‐free 400‐MHz nuclear magnetic resonance spectrometer as a versatile tool for pharmaceutical process analytical technology	2
Computational ¹⁹⁹Hg NMR	2
	2
Corrected solid‐state ¹³C nuclear magnetic resonance peak assignment and side‐group quantification of hydroxypropyl methylcellulose acetyl succinate pharmaceutical excipients	2
EPR characterization of Cu/Al‐Zr‐Ce ethanol dehydrogenation catalysts: Active site development and coking control	2
Issue Information	2
Computational NMR of charged systems: A review	1
Supporting the assignment of NMR spectra with variable‐temperature experiments	1
Detailed ¹H and ¹³C NMR structural assignment of ent‐polyalthic acid, a biologically active labdane diterpene	1
Interpretation of EPR and optical spectra of Ni(II) ions in crystalline lattices at ambient temperature	1
	1
Differentiation of regioisomeric N‐alkylation of some indazoles and pyrazolopyridines by advanced NMR techniques	1
Issue Information	1
Plain ¹H nuclear magnetic resonance analysis streamlines the quality control of antiviral favipiravir and congeneric World Health Organization essential medicines	1
Computer‐assisted structure elucidation (CASE): Current and future perspectives	1
Twenty years of nmrshiftdb2: A case study of an open database for analytical chemistry	1
Correction to “A reliable external calibration method for reaction monitoring with benchtop NMR”	1
A data‐oriented approach to making new molecules as a student experiment: artificial intelligence‐enabling FAIR publication of NMR data for organic esters	1
Issue Information	1
Issue Information	1
Observing exocrine pancreas metabolism using a novel pancreas perfusion technique in combination with hyperpolarized [1‐¹³C]pyruvate	1
Frontiers in NMR metabolomics	1
Cross‐Correlation Between ¹¹B Quadrupole and ¹¹B‐¹⁹F Dipole–Dipole Coupling in BF₂ Groups	1
Determination of self‐diffusion coefficients in mixtures with benchtop ¹³C NMR spectroscopy via polarization transfer	1
Cover Picture	1
Issue Information	1
Studying the interaction of glycans with intact virions and virus‐like particles by ligand‐observed NMR spectroscopy	1
	1
To flame‐seal or not to flame‐seal NMR tubes: The role of liquid–vapor equilibria on the accuracy of variable temperature experiments	1
You cannot fight the pressure: Structural rearrangements of active pharmaceutical ingredients under magic angle spinning	1
SMART‐Miner: A convolutional neural network‐based metabolite identification from ¹H‐¹³C HSQC spectra	1
Investigations on the local structure and the spin Hamiltonian parameters for Cu²⁺ in xCuO−(68−x)V₂O₅−32TeO₂ glasses	1
	1
Cover Picture	1
Monitoring live mitochondrial metabolism in real‐time using NMR spectroscopy	1

Liquid‐phase NMR of asphaltenes	1
Six new iridoid glucosides from Myxopyrum smilacifolium (Wall.) Blume	1
Issue Information	1
¹H‐¹³C cross‐polarization kinetics to probe hydration‐dependent organic components of bone extracellular matrix	1
Issue Information	1
Computational¹H and¹³C NMR in structural and stereochemical studies	1
Development of a method to determine the SFC in the fat phase of emulsions using TD‐NMR FID‐CPMG deconvolution	1
Nuclear magnetic resonance‐based structural elucidation of novel marine glycans and derived oligosaccharides	1
Investigating the interaction between merocyanine and glutathione through a comprehensive NMR analysis of three GSH‐stabilized merocyanine species	1
A career in NMR—An interview with Ad Bax	1
Benchmark accuracy of predicted NMR observables for quadrupolar ¹⁴N and ¹⁷O nuclei in molecular crystals	1
Stereoelectronic interactions: A booster for ⁴J_HF transmission	1
Cover Picture	1
	1
Issue Information	1
Unexpected structural/motional mode of water intercalated into an α‐crystalline zirconium phosphate deduced by ³¹P and ²H solid‐state MAS NMR spectra	1
Solid‐state ^35/37Cl NMR detection of chlorine atoms directly bound to paramagnetic cobalt(II) ions in powder samples	0
Applications of machine learning and artificial intelligence in NMR	0
Choice of computational protocol for carbon‐lithium spin–spin coupling constants ¹J_CLi	0
Ambient temperature ¹H/¹³C NMR spectra of sodium 3‐(trimethylsilyl)propane‐1‐sulfonate (DSS) in D₂O referenced to external TMS: A discussion of these and closely relat	0
Combined application of DP4+ and ANN‐PRA to determine the relative configuration of natural products: The alpha‐bisabol case study	0
Mapping of ¹H NMR chemical shifts relationship with chemical similarities for the acceleration of metabolic profiling: Application on blood products	0
Longitudinal relaxation rate measurements for different signals unveiled by nutation spectroscopy: Application to the characterization of two arrangements experienced by water in a clay network	0
Probing Spatial Proximities Between Protons of Collagen Protein in Native Bone Using 2D ¹H Multiple Quantum Experiments Under Fast MAS NMR	0
Correction to “Revisiting aliasing noise to build more robust sparsity in nonuniform sampling 2D‐NMR”	0
An insight into tapioca and wheat starch gelatinization mechanisms using TD‐NMR and complementary techniques	0
Issue Information	0
Automated qualitative and quantitative analysis of complex forensic drug samples using ¹H NMR	0
Investigations on the EPR g factors and local structures for the orthorhombic and tetragonal Cu²⁺ centers in Pb[Zr_0.54Ti_0.46]O₃	0
Tautomerism of pyridinylbutane‐1,3‐diones: An NMR and DFT study	0
Issue Information	0
Characterization of the sodium binding state in several food products by²³Na nuclear magnetic resonance spectroscopy	0
The powder X‐band electron paramagnetic resonance spectroscopy of septet pyridyl‐2,4,6‐trinitrene	0
	0
Fluorine spin–spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels	0
Issue Information	0
Graphical exploration of 600‐ and 60‐MHz proton NMR spectral datasets from ground roast coffee extracts	0
Issue Information	0
A theoretical study of the electron paramagnetic resonance spectra and local environment in copper(II) complexes with different imidazole and chlorido ligands	0
Four‐component relativistic calculations of NMR shielding constants of the transition metal complexes. Part 1: Pentaammines of cobalt, rhodium, and iridium	0
Pure shift FESTA: An ultra‐high resolution NMR tool for the analysis of complex fluorine‐containing spin systems	0
Issue Information	0
Exploring the structure of pure germanophospate glasses with different concentrations probed by magic angle spinning NMR spectroscopy	0
Theoretical investigations on the defect structures and g factors for V⁴⁺ in 30PbO‐5Bi₂O₃‐(65‐x)SiO₂ glasses at different concentrations	0
Issue Information	0
On the geometry dependence of the nuclear magnetic resonance chemical shift of mercury in thiolate complexes: A relativistic density functional theory study	0
Complete ¹H, ¹³C, and ¹⁵N assignments of the minor isomer of codeine N‐oxide	0
Challenges and opportunities in elucidating the structures of biofilm exopolysaccharides: A case study of the Pseudomonas aeruginosa exopolysaccharide called Pel	0
Studies on the EPR parameters and local angular distortion for the tetragonal Cu²⁺ center in CaWO₄ crystal	0
A ⁴³Ca nuclear magnetic resonance perspective on octacalcium phosphate and its hybrid derivatives	0
Density functional theory‐nuclear magnetic resonance‐validated full structure elucidation of theionbrunonine C, an unstable N‐oxide theionbrunonine from Mostuea brunonis	0
	0
Hydrogen bond formation may enhance RDC‐based discrimination of enantiomers	0
Evaluation of Automatic Analysis Software for ¹H NMR Spectra Quantification. Impact of Signal Broadening and EDTA Addition	0
Steric and electronic effects on the ¹H hyperpolarisation of substituted pyridazines by signal amplification by reversible exchange	0
Structural analysis of unstable norbixin isomers guided by pure shift nuclear magnetic resonance	0
Revealing elusive conformations of sucrose from hydrogen bond J‐coupling in H₂O: A combined NMR and quantum mechanics study	0
Density functional theory calculations of copper‐doped rutile crystals: Local structural, electronic, optical, and electron paramagnetic resonance properties	0
Issue Information	0
Tritium NMR: A compilation of data and a practical guide	0
Issue Information	0
DFT investigation of coupling constant anomalies in substituted β‐lactams	0
Structural elucidation and nuclear magnetic resonance spectral assignments of five new compounds from Paraconiothyrium brasiliense	0
Application of time domain nuclear magnetic resonance (TD‐NMR) for study of the distillation curve of petroleum	0
	0
Investigation of the surfactant distribution in oil‐in‐water emulsions during the crystallization of the dispersed phase via nuclear magnetic resonance relaxometry and diffusometry	0
¹⁷O nuclear magnetic resonance: Recent advances and applications	0
Proton nuclear magnetic resonance (1H NMR) of flammable organic chemicals in radioactive high‐level supernatant waste at the Savannah River Site (SRS)	0
	0
A holistic NMR framework to understand environmental impact: Examining the impacts of superparamagnetic iron oxide nanoparticles (SPIONs) in Daphnia magna via imaging, spectroscopy,	0
Identifying molecular functional groups of organic compounds by deep learning of NMR data	0
Accurate measurements of self‐diffusion coefficients with benchtop NMR using a QM model‐based approach	0
Micellar and solubilizing properties of rhamnolipids	0
LnDOTA‐d₈, a versatile chemical‐shift thermometer for ²H solid‐state NMR	0
Hyperpolarization of common antifungal agents with SABRE	0
On phosphorus chemical shift anisotropy in metal (IV) phosphates and phosphonates: A ³¹P NMR experimental study	0
Benchtop nuclear magnetic resonance spectroscopy in forensic chemistry	0
A comparable study of the optical spectra and EPR parameters for 3d¹‐ and 3d⁹‐doped MgNH₄PO₄·6H₂O	0
A pilot study for fragment identification using 2D NMR and deep learning	0
¹H and ¹³C NMR spectra of infinitene and the ring current effect of the aromatic molecule	0
	0
In situ ¹³C solid‐state polarization transfer NMR to follow starch transformations in food	0
Discrimination of stereoisomers by one‐dimensional ¹³C NMR: All 16 stereoisomers of 4‐hydroxy‐α‐tocopherol resolved	0
MagMet: A fully automated web server for targeted nuclear magnetic resonance metabolomics of plasma and serum	0
Quantitative analysis of selected alkaloids of Mitragyna speciosa using ¹H quantitative nuclear magnetic resonance spectroscopy	0
Cover Picture	0
	0
Issue Information	0
Issue Information	0
	0
Anomalous ¹H NMR chemical shift behavior of substituted benzoic acid esters	0
Synthesis, isolation and characterisation of fluorinated‐benzimidazoisoquinoline regioisomers	0
Speedy Component Resolution Using Spatially Encoded Diffusion NMR Data	0
The efficiency of micellar solubilization of naphthalene from aqueous solutions using rhamnolipid as a biological surfactant according to NMR diffusometry	0
¹³C‐depleted algae as food: Permitting background free in‐vivo nuclear magnetic resonance of Daphnia magna at natural abundance	0