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 2020-04-01 to 2024-04-01.)

Article	Citations
Prediction of chemical shift in NMR: A review	38
Computer Assisted Structure Elucidation (CASE): Current and future perspectives	35
Quantitative NMR (qNMR) for pharmaceutical analysis: The pioneering work of George Hanna at the US FDA	23
Quantum chemical calculations of ⁷⁷Se and ¹²⁵Te nuclear magnetic resonance spectral parameters and their structural applications	20
Review and prospect: NMR spectroscopy denoising and reconstruction with low‐rank Hankel matrices and tensors	20
Computational¹H and¹³C NMR in structural and stereochemical studies	17
NMR spectroscopy goes mobile: Using NMR as process analytical technology at the fume hood	16
Exploration of continuous‐flow benchtop NMR acquisition parameters and considerations for reaction monitoring	15
High‐throughput screening of argan oil composition and authenticity using benchtop ¹H NMR	15
NMR‐based clinical metabolomics revealed distinctive serum metabolic profiles in patients with spondyloarthritis	14
A comparison of non‐uniform sampling and model‐based analysis of NMR spectra for reaction monitoring	14
Recent progress in solid‐state nuclear magnetic resonance of half‐integer spin low‐γ quadrupolar nuclei applied to inorganic materials	14
¹³C solid‐state NMR complemented by ATR‐FTIR and micro‐DSC to study modern collagen‐based material and historical leather	13
Magnetic shielding of parahydrogen hyperpolarization experiments for the masses	13
³⁵Cl–¹H Heteronuclear correlation magic‐angle spinning nuclear magnetic resonance experiments for probing pharmaceutical salts	12
Analysis of water content in wood material through 1D and 2D ¹H NMR relaxometry: Application to the determination of the dry mass of wood	12
NMReDATA: Tools and applications	12
Field‐stepped ultra‐wideline NMR at up to 36 T: On the inequivalence between field and frequency stepping	12
A multivariate approach to investigate the NMR CPMG pulse sequence for analysing low MW species in polymers	11
SMART‐Miner: A convolutional neural network‐based metabolite identification from ¹H‐¹³C HSQC spectra	10
Looking into the dynamics of molecular crystals of ibuprofen and terephthalic acid using ¹⁷O and ²H nuclear magnetic resonance analyses	10
High‐resolution multiparametric MRI of contemporary and waterlogged archaeological wood	10
Review of the use of NMR spectroscopy to investigate structure, reactivity, and dynamics of lead soap formation in paintings	10
The NMR added value to the green foodomics perspective: Advances by machine learning to the holistic view on food and nutrition	10
Correlated ab initio calculations of one‐bond ³¹P⁷⁷Se and ³¹P¹²⁵Te spin–spin coupling constants in a series of PSe and PTe systems accounting for	9

Computational ¹H and ¹³C NMR of strychnobaillonine: On the way to larger molecules calculated at lower computational costs	9
Computational ¹H and ¹³C NMR of the trimeric monoterpenoid indole alkaloid strychnohexamine: Selected spectral updates	9
Efficient transfer of DNP‐enhanced ¹H magnetization to half‐integer quadrupolar nuclei in solids at moderate spinning rate	9
A pilot study for fragment identification using 2D NMR and deep learning	9
Monitoring of the sedimentation kinetics of vaccine adjuvants using water proton NMR relaxation	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
Complete Reduction to Amplitude Frequency Table (CRAFT)—A perspective	9
On the use of radio‐frequency offsets for improving double‐quantum homonuclear dipolar recoupling of half‐integer‐spin quadrupolar nuclei	9
Computational ¹⁹⁹Hg NMR	9
Hyperpolarization of common antifungal agents with SABRE	8
Optimisation of spatially‐encoded diffusion‐ordered NMR spectroscopy for the analysis of mixtures	8
Probing short and long‐range interactions in native collagen inside the bone matrix by BioSolids CryoProbe	8
Towards large‐scale steady‐state enhanced nuclear magnetization with in situ detection	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
Multiplatform untargeted metabolomics	8
Extension and improvement of the methanol‐d₄ NMR thermometer calibration	8
Benefits of time‐resolved nonuniform sampling in reaction monitoring: The case of aza‐Michael addition of benzylamine and acrylamide	8
Benchtop nuclear magnetic resonance spectroscopy in forensic chemistry	8
Prediction of ¹⁵N chemical shifts by machine learning	8
Efficient J‐oriented tin basis sets for the correlated calculations of indirect nuclear spin–spin coupling constants	8
Non‐uniform sampling for NOESY? A case study on spiramycin	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
Demystifying NMR spectroscopy: Applications of benchtop spectrometers in the undergraduate teaching laboratory	7
Applicable and cost‐efficient microplastic analysis by quantitative ¹H‐NMR spectroscopy using benchtop NMR and NoD methods	7
¹⁵N hyperpolarisation of the antiprotozoal drug ornidazole by Signal Amplification By Reversible Exchange in aqueous medium	7
Dedicated NMR sensor to analyze relaxation and diffusion in liquids and its application to characterize lubricants	7
Computational NMR of charged systems	7
Low‐field ¹H NMR spectroscopy: Factors impacting signal‐to‐noise ratio and experimental time in the context of mixed microstructure polyisoprenes	7
A ⁴³Ca nuclear magnetic resonance perspective on octacalcium phosphate and its hybrid derivatives	7
Applications of benchtop NMR in the organic chemistry instructional laboratory	6
The aug‐cc‐pVTZ‐J basis set for the p‐block fourth‐row elements Ga, Ge, As, Se, and Br	6
Plant‐like cadinane sesquiterpenes from an actinobacterial mangrove endophyte	6
Software for reconstruction of nonuniformly sampled NMR data	6
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	6
Contact‐mediated nucleation in melt emulsions investigated by rheo‐nuclear magnetic resonance	6
In situ ¹³C solid‐state polarization transfer NMR to follow starch transformations in food	6
Magic‐angle‐spinning‐induced local ordering in polymer electrolytes and its effects on solid‐state diffusion and relaxation NMR measurements	6
Rapid nuclear magnetic resonance data acquisition with improved resolution and sensitivity for high‐throughput metabolomic analysis	6
Detection, discrimination and quantification of amphetamine, cathinone and nor‐ephedrine regioisomers using benchtop ¹H and ¹⁹F nuclear magnetic resonance spectroscopy	6
Computational simulation of ¹H NMR profiles of complex biofluid analyte mixtures at differential operating frequencies: Applications to low‐field benchtop spectra	6
Effect of pigment concentration on NMR relaxometry in acrylic paints	6
Identifying molecular functional groups of organic compounds by deep learning of NMR data	6
Investigation of the surfactant distribution in oil‐in‐water emulsions during the crystallization of the dispersed phase via nuclear magnetic resonance relaxometry and diffusometry	6
Study of the premicellar state in aqueous solutions of sodium dodecyl sulfate by nuclear magnetic resonance diffusion	6
Simultaneous ¹⁵N polarization of several biocompatible substrates in ethanol–water mixtures by signal amplification by reversible exchange (SABRE) method	6
Calculated and experimental ¹H and ¹³C NMR assignments for cannabicitran	6
Identification of complex structures of paintings on canvas by NMR: Correlation between NMR profile and stratigraphy	6
An insight into tapioca and wheat starch gelatinization mechanisms using TD‐NMR and complementary techniques	5
Optimised collection of non‐uniformly sampled 2D‐HSQC NMR spectra for use in metabolic flux analysis	5
Application of benchtop low‐field NMR spectrometers in the refining industry: A multivariate calibration approach for rapid characterization of crude oils	5

Differentiation among dairy products by combination of fast field cycling NMR relaxometry data and chemometrics	5
CRAFT for NMR lipidomics: Targeting lipid metabolism in leucine‐supplemented tumor‐bearing mice	5
Azo‐hydrazone molecular switches: Synthesis and NMR conformational investigation	5
Taking compact NMR to monitoring real reactions in large‐scale chemical industries—General considerations and learnings from a lab‐scale test case	5
Characterization of stereoisomeric 5‐(2‐nitro‐1‐phenylethyl)furan‐2(5H)‐ones by computation of ¹H and ¹³C NMR chemical shifts and electronic circular dichroism spectra	5
Broadband adiabatic inversion cross‐polarization to integer‐spin nuclei with application to deuterium NMR	5
²H SOLCOR: A novel tool for reducing volume variation as a source of error in external standard quantitative NMR	5
A supramolecular and liquid crystalline water‐based alignment medium based on azobenzene‐substituted 1,3,5‐benzenetricarboxamides	5
Structure elucidation of two new diterpenes from Vietnamese mangrove Ceriops decandra	5
Lead‐207 NMR spectroscopy at 1.4 T: Application of benchtop instrumentation to a challenging I = ½ nucleus	4
Evaluation of alumina slurry dispersion by nuclear magnetic resonance relaxation as a comparison to conventional dispersion evaluation methods	4
A structural analysis of 2,5‐diaryl‐4H‐2,4‐dihydro‐3H‐1,2,4‐triazol‐3‐ones: NMR in the solid state, X‐ray crystallography, and GIPAW calculations	4
Full NMR assignment of new acridinyl‐chalcones, pyrazolino‐acridines, and spiro[imidazo[1,5‐b]pyrazole‐4,9′‐acridines]	4
NMR structural characterization from one‐bond ¹³C¹³C couplings: Complete assignment of a hydrogen‐poor depsidone	4
Portable single‐sided NMR measurements at variable temperatures: Implementation of a thermo‐controlled device and application to the heating of bread dough	4
Nuclear magnetic resonance/magnetic resonance imaging on lubricating greases: Observation of bleeding and aging	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
Acrylamide derivatives: A dynamic nuclear magnetic resonance study	4
Sensitivity of ³¹P NMR chemical shifts to hydrogen bond geometry and molecular conformation for complexes of phosphinic acids with pyridines	4
Benchmark accuracy of predicted NMR observables for quadrupolar ¹⁴N and ¹⁷O nuclei in molecular crystals	4
Validation of temperature‐controlled rheo‐MRI measurements in a submillimeter‐gap Couette geometry	4
Structure elucidation of a new triterpene from Inonotus obliquus	4
One‐bond ¹J(¹⁵N,H) coupling constants at sp²‐hybridized nitrogen of Schiff bases, enaminones and similar compounds: A theoretical study	4
Crews' rule—Still useful but often misquoted	4
Local atomic and electronic structure in the LiVPO₄(F,O) tavorite‐type materials from solid‐state NMR combined with DFT calculations	4
Application of 1,1‐ADEQUATE and DFT to correct¹³C misassignments of carbonyl chemical shifts for carbapenem antibiotics	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
Interpretation of EPR and optical spectra of Ni(II) ions in crystalline lattices at ambient temperature	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
Structure elucidation of a new bicoumarin derivative from the leaves of Dysoxylum parasiticum (Osbeck) Kosterm.	4
Single experiment measurement of residual dipolar couplings in aqueous solution using a biphasic bisperylene imide chromonic liquid crystal	4
Density functional theory calculations of δ(¹³C) and δ(¹H) chemical shifts and ³J(¹³COO¹H) coupling constants as structur	4
Four‐component relativistic calculations of NMR shielding constants of the transition metal complexes. Part 1: Pentaammines of cobalt, rhodium, and iridium	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
A DFT/machine‐learning hybrid method for the prediction of ³J_HCCH couplings	4
Solid‐state nuclear magnetic resonance of spin‐9/2 nuclei ¹¹⁵In and ²⁰⁹Bi in functional inorganic complex oxides	4
Systematical NMR analysis of swainsonine, a mycotoxin from endophytic fungus Alternaria oxytropis	4
NMR study of dyadic and triadic splitting in copoly(arylene)phthalides based on diphenyl oxide and diphenyl sulfide	3
Plain ¹H nuclear magnetic resonance analysis streamlines the quality control of antiviral favipiravir and congeneric World Health Organization essential medicines	3
²⁷Al NMR diffusometry of Al₁₃ Keggin nanoclusters	3
¹H and ¹³C NMR spectral assignments of nineteen 5‐(3,5‐dimethoxyphenyl)‐3‐(2‐methoxyphenyl)‐2‐pyrazoline derivatives	3
Recent advances in the liquid‐phase ^6,7Li nuclear magnetic resonance	3
Synthesis of a novel naphthalenone endoperoxide and structural elucidation by nuclear magnetic resonance spectroscopy and theoretical calculation	3
Solid‐state NMR spectroscopy as a powerful tool to investigate the location of fluorinated lipids in highly porous hybrid organic–inorganic nanoparticles	3
¹⁹F‐detected dual‐optimized inverted ¹J_CC 1,n‐ADEQUATE	3
Steric and electronic effects on the ¹H hyperpolarisation of substituted pyridazines by signal amplification by reversible exchange	3
Influences of polarizability effect of alkyl group and homoring competition effect of substituents on the NMR spectra of salen‐type Schiff base	3
Choice of computational protocol for carbon‐lithium spin–spin coupling constants ¹J_CLi	3
Benchtop NMR spectrometers: Technology, applications, techniques and future perspectives	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
Perspective: A potential role for NUS in metabolite‐based in vitro diagnostics	3
Development of ¹⁹F‐detected 1,1‐ADEQUATE for the characterization of polyfluorinated and perfluorinated compounds	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
How mobile NMR can help with the conservation of paintings	3
NMR internal standard signal shifts due to cyclodextrin inclusion complexes	3
Detection of acidic paper recovery after alkaline nanoparticle treatment by 2D NMR relaxometry	3
Supercritical CO₂ impregnation process applied to polymer samples preparation for dynamic nuclear polarization solid‐state NMR	3
Applications of machine learning and artificial intelligence in NMR	3
LnDOTA‐d₈, a versatile chemical‐shift thermometer for ²H solid‐state NMR	3
SABRE‐enhanced real‐time pure shift NMR 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
Through‐space ¹¹B–²⁷Al correlation: Influence of the recoupling channel	3
Computer‐assisted structure elucidation (CASE): Current and future perspectives	3
On the utility of nonuniformly sampled two‐dimensional NMR spectra in the pharmaceutical industry	3
Application of accelerated heteronuclear single quantum coherence experiments to the rapid quantification of monosaccharides and disaccharides in dairy products	3
Practical considerations for working with graphene oxide as alignment media for RDC measurements	3
Fluorine spin–spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels	3
Spin crossover properties of Fe(III) complexes in [Fe (bzacen)(tvp)]BPh₄·nSolv chain structures: EPR study	3
Identification of seven psychedelic 2,5‐dimethoxy‐phenylethyl‐amine‐based designer drugs via benchtop ¹H nuclear magnetic resonance spectroscopy	3
An approach to fast 2D nuclear magnetic resonance at low concentration based on p‐H₂‐induced polarization and nonuniform sampling	3
Accurate measurements of self‐diffusion coefficients with benchtop NMR using a QM model‐based approach	3
A structural investigation of organic battery anode materials by NMR crystallography	3