OOIR: Observatory of International Research

Papers

(The TQCC of Magnetic Resonance in Chemistry is 3. 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 2020-11-01 to 2024-11-01.)

Article	Citations
Prediction of chemical shift in NMR: A review	48
Computer Assisted Structure Elucidation (CASE): Current and future perspectives	36
Computational¹H and¹³C NMR in structural and stereochemical studies	22
Quantum chemical calculations of⁷⁷Se and¹²⁵Te nuclear magnetic resonance spectral parameters and their structural applications	20
Multiplatform untargeted metabolomics	17
Recent progress in solid‐state nuclear magnetic resonance of half‐integer spin low‐γ quadrupolar nuclei applied to inorganic materials	15
Towards large‐scale steady‐state enhanced nuclear magnetization with in situ detection	15
NMReDATA: Tools and applications	15
The NMR added value to the green foodomics perspective: Advances by machine learning to the holistic view on food and nutrition	14
Magnetic shielding of parahydrogen hyperpolarization experiments for the masses	14
³⁵Cl–¹H Heteronuclear correlation magic‐angle spinning nuclear magnetic resonance experiments for probing pharmaceutical salts	14
Analysis of water content in wood material through 1D and 2D ¹H NMR relaxometry: Application to the determination of the dry mass of wood	13
Field‐stepped ultra‐wideline NMR at up to 36 T: On the inequivalence between field and frequency stepping	12
Benchtop nuclear magnetic resonance spectroscopy in forensic chemistry	12
SMART‐Miner: A convolutional neural network‐based metabolite identification from ¹H‐¹³C HSQC spectra	12
Looking into the dynamics of molecular crystals of ibuprofen and terephthalic acid using ¹⁷O and ²H nuclear magnetic resonance analyses	12
Efficient transfer of DNP‐enhanced ¹H magnetization to half‐integer quadrupolar nuclei in solids at moderate spinning rate	12
Extension and improvement of the methanol‐d₄NMR thermometer calibration	12
A pilot study for fragment identification using 2D NMR and deep learning	11
Complete Reduction to Amplitude Frequency Table (CRAFT)—A perspective	10
Applicable and cost‐efficient microplastic analysis by quantitative ¹H‐NMR spectroscopy using benchtop NMR and NoD methods	10
Computational ¹⁹⁹Hg NMR	10
¹⁵N hyperpolarisation of the antiprotozoal drug ornidazole by Signal Amplification By Reversible Exchange in aqueous medium	10
Non‐uniform sampling for NOESY? A case study on spiramycin	9
A data‐oriented approach to making new molecules as a student experiment: artificial intelligence‐enabling FAIR publication of NMR data for organic esters	9

Hyperpolarization of common antifungal agents with SABRE	9
Computational ¹H and ¹³C NMR of the trimeric monoterpenoid indole alkaloid strychnohexamine: Selected spectral updates	9
Prediction of ¹⁵N chemical shifts by machine learning	9
On the use of radio‐frequency offsets for improving double‐quantum homonuclear dipolar recoupling of half‐integer‐spin quadrupolar nuclei	9
A ⁴³Ca nuclear magnetic resonance perspective on octacalcium phosphate and its hybrid derivatives	8
Rapid nuclear magnetic resonance data acquisition with improved resolution and sensitivity for high‐throughput metabolomic analysis	8
Efficient J‐oriented tin basis sets for the correlated calculations of indirect nuclear spin–spin coupling constants	8
Elucidating structure and dynamics of crystalline α‐zirconium phosphates intercalated with water and methanol by multinuclear solid‐state MAS NMR: A comprehensive NMR approach	8
¹⁷O solid‐state NMR at ultrahigh magnetic field of 35.2 T: Resolution of inequivalent oxygen sites in different phases of MOF MIL‐53(Al)	8
Study of the premicellar state in aqueous solutions of sodium dodecyl sulfate by nuclear magnetic resonance diffusion	8
Calculated and experimental ¹H and ¹³C NMR assignments for cannabicitran	8
An insight into tapioca and wheat starch gelatinization mechanisms using TD‐NMR and complementary techniques	8
Investigation of the surfactant distribution in oil‐in‐water emulsions during the crystallization of the dispersed phase via nuclear magnetic resonance relaxometry and diffusometry	8
Optimisation of spatially‐encoded diffusion‐ordered NMR spectroscopy for the analysis of mixtures	8
Simultaneous ¹⁵N polarization of several biocompatible substrates in ethanol–water mixtures by signal amplification by reversible exchange (SABRE) method	8
Computational NMR of charged systems	7
Benchmark accuracy of predicted NMR observables for quadrupolar ¹⁴N and ¹⁷O nuclei in molecular crystals	7
Evaluation of double‐tuned single‐sided planar microcoils for the analysis of small ¹³C enriched biological samples using ¹H‐¹³C 2D heteronuclear correlation NMR spect	7
Dedicated NMR sensor to analyze relaxation and diffusion in liquids and its application to characterize lubricants	7
In situ ¹³C solid‐state polarization transfer NMR to follow starch transformations in food	7
Contact‐mediated nucleation in melt emulsions investigated by rheo‐nuclear magnetic resonance	7
The aug‐cc‐pVTZ‐J basis set for the p‐block fourth‐row elements Ga, Ge, As, Se, and Br	6
Computational simulation of ¹H NMR profiles of complex biofluid analyte mixtures at differential operating frequencies: Applications to low‐field benchtop spectra	6
Single experiment measurement of residual dipolar couplings in aqueous solution using a biphasic bisperylene imide chromonic liquid crystal	6
A structural investigation of organic battery anode materials by NMR crystallography	6
²⁷Al NMR diffusometry of Al₁₃ Keggin nanoclusters	6
Identifying molecular functional groups of organic compounds by deep learning of NMR data	6
Azo‐hydrazone molecular switches: Synthesis and NMR conformational investigation	6
Application of aromatic amide‐derived atropisomers as chiral solvating agents for discrimination of optically active mandelic acid derivatives in ¹H nuclear magnetic resonance spectroscopy	6
Density functional theory calculations of δ(¹³C) and δ(¹H) chemical shifts and ³J(¹³COO¹H) coupling constants as structur	5
Micellar and solubilizing properties of rhamnolipids	5
Detection, discrimination and quantification of amphetamine, cathinone and nor‐ephedrine regioisomers using benchtop ¹H and ¹⁹F nuclear magnetic resonance spectroscopy	5
A supramolecular and liquid crystalline water‐based alignment medium based on azobenzene‐substituted 1,3,5‐benzenetricarboxamides	5
Four‐component relativistic calculations of NMR shielding constants of the transition metal complexes. Part 1: Pentaammines of cobalt, rhodium, and iridium	5
Applications of machine learning and artificial intelligence in NMR	5
Broadband adiabatic inversion cross‐polarization to integer‐spin nuclei with application to deuterium NMR	5
Nuclear magnetic resonance/magnetic resonance imaging on lubricating greases: Observation of bleeding and aging	5
Differentiation among dairy products by combination of fast field cycling NMR relaxometry data and chemometrics	5
SABRE‐enhanced real‐time pure shift NMR spectroscopy	5
Validation of temperature‐controlled rheo‐MRI measurements in a submillimeter‐gap Couette geometry	5
Acrylamide derivatives: A dynamic nuclear magnetic resonance study	4
Unexpected structural/motional mode of water intercalated into an α‐crystalline zirconium phosphate deduced by ³¹P and ²H solid‐state MAS NMR spectra	4
NMR internal standard signal shifts due to cyclodextrin inclusion complexes	4
Crews' rule—Still useful but often misquoted	4
Use of carbon‐13 NMR to identify known natural products by querying a nuclear magnetic resonance database—An assessment	4
Application of 1D ¹⁵N and band‐selective 2D ¹H‐¹⁵N CLIP‐HSQMBC to detect ^35/37Cl isotope effect on nitrogen for unequivocal structure elucidation of the N‐C	4
Development of ¹⁹F‐detected 1,1‐ADEQUATE for the characterization of polyfluorinated and perfluorinated compounds	4
Interpretation of EPR and optical spectra of Ni(II) ions in crystalline lattices at ambient temperature	4
Evaluation of alumina slurry dispersion by nuclear magnetic resonance relaxation as a comparison to conventional dispersion evaluation methods	4
Triterpenes and limonoids of Cedrela: Distribution, biosynthesis, and ¹H and ¹³C NMR data	4

Application of 1,1‐ADEQUATE and DFT to correct¹³C misassignments of carbonyl chemical shifts for carbapenem antibiotics	4
Synthesis of a novel naphthalenone endoperoxide and structural elucidation by nuclear magnetic resonance spectroscopy and theoretical calculation	4
¹⁹F‐detected dual‐optimized inverted ¹J_CC 1,n‐ADEQUATE	4
Portable single‐sided NMR measurements at variable temperatures: Implementation of a thermo‐controlled device and application to the heating of bread dough	4
Sensitivity of ³¹P NMR chemical shifts to hydrogen bond geometry and molecular conformation for complexes of phosphinic acids with pyridines	4
Solution state structure and equilibria of lanthanide (fod)₃ complexes revisited: A ¹H, ¹³C and ¹⁹F nuclear magnetic resonance study of Eu(fod)₃	4
Structure elucidation of a new bicoumarin derivative from the leaves of Dysoxylum parasiticum (Osbeck) Kosterm.	4
Practical considerations for working with graphene oxide as alignment media for RDC measurements	4
Recent advances in the liquid‐phase ^6,7Li nuclear magnetic resonance	4
Influences of polarizability effect of alkyl group and homoring competition effect of substituents on the NMR spectra of salen‐type Schiff base	4
MagMet: A fully automated web server for targeted nuclear magnetic resonance metabolomics of plasma and serum	4
Solid‐state nuclear magnetic resonance of spin‐9/2 nuclei ¹¹⁵In and ²⁰⁹Bi in functional inorganic complex oxides	4
Quantitative MRI analysis of structural changes in tomato tissues resulting from dehydration	3
Present and future of pure shift NMR in metabolomics	3
Computer‐assisted structure elucidation (CASE): Current and future perspectives	3
Stereoelectronic interactions: A booster for ⁴J_HF transmission	3
¹H and ¹³C NMR spectral assignments of nineteen 5‐(3,5‐dimethoxyphenyl)‐3‐(2‐methoxyphenyl)‐2‐pyrazoline derivatives	3
Nuclear magnetic resonance relaxometry to monitor chromium (VI) reduction by hydrogen peroxide, ascorbic acid, and aluminum powder	3
Solid‐state NMR spectroscopy as a powerful tool to investigate the location of fluorinated lipids in highly porous hybrid organic–inorganic nanoparticles	3
¹⁷O nuclear magnetic resonance: Recent advances and applications	3
Detecting pore size distribution of activated carbon by low‐field nuclear magnetic resonance	3
Fluorine spin–spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels	3
A holistic NMR framework to understand environmental impact: Examining the impacts of superparamagnetic iron oxide nanoparticles (SPIONs) in Daphnia magna via imaging, spectroscopy,	3
An approach to fast 2D nuclear magnetic resonance at low concentration based on p‐H₂‐induced polarization and nonuniform sampling	3
Automated identification and quantification of metabolites in human fecal extracts by nuclear magnetic resonance spectroscopy	3
NMR spectral fingerprint patterns as diagnostics for the unambiguous configurational analysis of the classic organo‐gelator 1,3:2,4‐dibenzylidene‐d‐sorbitol (DBS) and its derivatives	3
Plain ¹H nuclear magnetic resonance analysis streamlines the quality control of antiviral favipiravir and congeneric World Health Organization essential medicines	3
Corrected solid‐state ¹³C nuclear magnetic resonance peak assignment and side‐group quantification of hydroxypropyl methylcellulose acetyl succinate pharmaceutical excipients	3
Application of accelerated heteronuclear single quantum coherence experiments to the rapid quantification of monosaccharides and disaccharides in dairy products	3
Revisiting the structure of Heliannuol L: A computational approach	3
The powder X‐band electron paramagnetic resonance spectroscopy of septet pyridyl‐2,4,6‐trinitrene	3
Identification of seven psychedelic 2,5‐dimethoxy‐phenylethyl‐amine‐based designer drugs via benchtop ¹H nuclear magnetic resonance spectroscopy	3
Choice of computational protocol for carbon‐lithium spin–spin coupling constants ¹J_CLi	3
Accurate measurements of self‐diffusion coefficients with benchtop NMR using a QM model‐based approach	3
NMR characterization of streptogramin B and L‐156,587, a non‐synergistic pair of the streptogramin family antibiotic complexes produced inductively by a combined culture of Streptomyces albogr	3
Phthalide metabolites produced by mangrove endophytic fungusPestalotiopsissp. SAS4	3
Through‐space ¹¹B–²⁷Al correlation: Influence of the recoupling channel	3
You cannot fight the pressure: Structural rearrangements of active pharmaceutical ingredients under magic angle spinning	3
Computational NMR of natural products: On the way to super large molecules exemplified with alasmontamine A	3
Distance measurements to quadrupolar nuclei: Evolution of the rotational echo double resonance technique	3
Supercritical CO₂ impregnation process applied to polymer samples preparation for dynamic nuclear polarization solid‐state NMR	3
Steric and electronic effects on the ¹H hyperpolarisation of substituted pyridazines by signal amplification by reversible exchange	3
LnDOTA‐d₈, a versatile chemical‐shift thermometer for ²H solid‐state NMR	3