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 2020-05-01 to 2024-05-01.)

Article	Citations
Prediction of chemical shift in NMR: A review	39
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	24
Review and prospect: NMR spectroscopy denoising and reconstruction with low‐rank Hankel matrices and tensors	21
Quantum chemical calculations of ⁷⁷Se and ¹²⁵Te nuclear magnetic resonance spectral parameters and their structural applications	20
NMR spectroscopy goes mobile: Using NMR as process analytical technology at the fume hood	19
Computational¹H and¹³C NMR in structural and stereochemical studies	17
Exploration of continuous‐flow benchtop NMR acquisition parameters and considerations for reaction monitoring	15
Recent progress in solid‐state nuclear magnetic resonance of half‐integer spin low‐γ quadrupolar nuclei applied to inorganic materials	15
A comparison of non‐uniform sampling and model‐based analysis of NMR spectra for reaction monitoring	14
NMR‐based clinical metabolomics revealed distinctive serum metabolic profiles in patients with spondyloarthritis	14
³⁵Cl–¹H Heteronuclear correlation magic‐angle spinning nuclear magnetic resonance experiments for probing pharmaceutical salts	13
¹³C solid‐state NMR complemented by ATR‐FTIR and micro‐DSC to study modern collagen‐based material and historical leather	13
NMReDATA: Tools and applications	13
Magnetic shielding of parahydrogen hyperpolarization experiments for the masses	13
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
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	12
The NMR added value to the green foodomics perspective: Advances by machine learning to the holistic view on food and nutrition	11
Review of the use of NMR spectroscopy to investigate structure, reactivity, and dynamics of lead soap formation in paintings	10
High‐resolution multiparametric MRI of contemporary and waterlogged archaeological wood	10
A pilot study for fragment identification using 2D NMR and deep learning	10
Efficient transfer of DNP‐enhanced ¹H magnetization to half‐integer quadrupolar nuclei in solids at moderate spinning rate	10
Looking into the dynamics of molecular crystals of ibuprofen and terephthalic acid using ¹⁷O and ²H nuclear magnetic resonance analyses	10
SMART‐Miner: A convolutional neural network‐based metabolite identification from ¹H‐¹³C HSQC spectra	10

Complete Reduction to Amplitude Frequency Table (CRAFT)—A perspective	9
Extension and improvement of the methanol‐d₄ NMR thermometer calibration	9
On the use of radio‐frequency offsets for improving double‐quantum homonuclear dipolar recoupling of half‐integer‐spin quadrupolar nuclei	9
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
A data‐oriented approach to making new molecules as a student experiment: artificial intelligence‐enabling FAIR publication of NMR data for organic esters	9
Benchtop nuclear magnetic resonance spectroscopy in forensic chemistry	9
Towards large‐scale steady‐state enhanced nuclear magnetization with in situ detection	9
Monitoring of the sedimentation kinetics of vaccine adjuvants using water proton NMR relaxation	9
Computational ¹⁹⁹Hg NMR	9
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
Efficient J‐oriented tin basis sets for the correlated calculations of indirect nuclear spin–spin coupling constants	8
Benefits of time‐resolved nonuniform sampling in reaction monitoring: The case of aza‐Michael addition of benzylamine and acrylamide	8
Hyperpolarization of common antifungal agents with SABRE	8
Prediction of ¹⁵N chemical shifts by machine learning	8
Non‐uniform sampling for NOESY? A case study on spiramycin	8
Demystifying NMR spectroscopy: Applications of benchtop spectrometers in the undergraduate teaching laboratory	8
Applicable and cost‐efficient microplastic analysis by quantitative ¹H‐NMR spectroscopy using benchtop NMR and NoD methods	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
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
A ⁴³Ca nuclear magnetic resonance perspective on octacalcium phosphate and its hybrid derivatives	7
Dedicated NMR sensor to analyze relaxation and diffusion in liquids and its application to characterize lubricants	7
¹⁵N hyperpolarisation of the antiprotozoal drug ornidazole by Signal Amplification By Reversible Exchange in aqueous medium	7
Computational NMR of charged systems	7
Identification of complex structures of paintings on canvas by NMR: Correlation between NMR profile and stratigraphy	7
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
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
Rapid nuclear magnetic resonance data acquisition with improved resolution and sensitivity for high‐throughput metabolomic analysis	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
Calculated and experimental ¹H and ¹³C NMR assignments for cannabicitran	6
Effect of pigment concentration on NMR relaxometry in acrylic paints	6
Magic‐angle‐spinning‐induced local ordering in polymer electrolytes and its effects on solid‐state diffusion and relaxation NMR measurements	6
Identifying molecular functional groups of organic compounds by deep learning of NMR data	6
Software for reconstruction of nonuniformly sampled NMR data	6
Simultaneous ¹⁵N polarization of several biocompatible substrates in ethanol–water mixtures by signal amplification by reversible exchange (SABRE) method	6
²H SOLCOR: A novel tool for reducing volume variation as a source of error in external standard quantitative NMR	6
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
Study of the premicellar state in aqueous solutions of sodium dodecyl sulfate by nuclear magnetic resonance diffusion	6
Plant‐like cadinane sesquiterpenes from an actinobacterial mangrove endophyte	6
Computational simulation of ¹H NMR profiles of complex biofluid analyte mixtures at differential operating frequencies: Applications to low‐field benchtop spectra	6
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
CRAFT for NMR lipidomics: Targeting lipid metabolism in leucine‐supplemented tumor‐bearing mice	5
Broadband adiabatic inversion cross‐polarization to integer‐spin nuclei with application to deuterium NMR	5
Benchmark accuracy of predicted NMR observables for quadrupolar ¹⁴N and ¹⁷O nuclei in molecular crystals	5
Taking compact NMR to monitoring real reactions in large‐scale chemical industries—General considerations and learnings from a lab‐scale test case	5

Structure elucidation of two new diterpenes from Vietnamese mangrove Ceriops decandra	5
An insight into tapioca and wheat starch gelatinization mechanisms using TD‐NMR and complementary techniques	5
Azo‐hydrazone molecular switches: Synthesis and NMR conformational investigation	5
Detection, discrimination and quantification of amphetamine, cathinone and nor‐ephedrine regioisomers using benchtop ¹H and ¹⁹F nuclear magnetic resonance spectroscopy	5
Single experiment measurement of residual dipolar couplings in aqueous solution using a biphasic bisperylene imide chromonic liquid crystal	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
SABRE‐enhanced real‐time pure shift NMR spectroscopy	5
Optimised collection of non‐uniformly sampled 2D‐HSQC NMR spectra for use in metabolic flux analysis	5
Application of aromatic amide‐derived atropisomers as chiral solvating agents for discrimination of optically active mandelic acid derivatives in ¹H nuclear magnetic resonance spectroscopy	5
A supramolecular and liquid crystalline water‐based alignment medium based on azobenzene‐substituted 1,3,5‐benzenetricarboxamides	5
Validation of temperature‐controlled rheo‐MRI measurements in a submillimeter‐gap Couette geometry	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
Local atomic and electronic structure in the LiVPO₄(F,O) tavorite‐type materials from solid‐state NMR combined with DFT calculations	4
NMR study of dyadic and triadic splitting in copoly(arylene)phthalides based on diphenyl oxide and diphenyl sulfide	4
Interpretation of EPR and optical spectra of Ni(II) ions in crystalline lattices at ambient temperature	4
Lead‐207 NMR spectroscopy at 1.4 T: Application of benchtop instrumentation to a challenging I = ½ nucleus	4
Structure elucidation of a new bicoumarin derivative from the leaves of Dysoxylum parasiticum (Osbeck) Kosterm.	4
Recent advances in the liquid‐phase ^6,7Li nuclear magnetic resonance	4
Nuclear magnetic resonance/magnetic resonance imaging on lubricating greases: Observation of bleeding and aging	4
Structure elucidation of a new triterpene from Inonotus obliquus	4
Applications of machine learning and artificial intelligence in NMR	4
One‐bond ¹J(¹⁵N,H) coupling constants at sp²‐hybridized nitrogen of Schiff bases, enaminones and similar compounds: A theoretical study	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
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
Sensitivity of ³¹P NMR chemical shifts to hydrogen bond geometry and molecular conformation for complexes of phosphinic acids with pyridines	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
Crews' rule—Still useful but often misquoted	4
Application of 1,1‐ADEQUATE and DFT to correct¹³C misassignments of carbonyl chemical shifts for carbapenem antibiotics	4
How mobile NMR can help with the conservation of paintings	4
NMR structural characterization from one‐bond ¹³C¹³C couplings: Complete assignment of a hydrogen‐poor depsidone	4
A structural investigation of organic battery anode materials by NMR crystallography	4
Portable single‐sided NMR measurements at variable temperatures: Implementation of a thermo‐controlled device and application to the heating of bread dough	4
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
Evaluation of alumina slurry dispersion by nuclear magnetic resonance relaxation as a comparison to conventional dispersion evaluation methods	4
Practical considerations for working with graphene oxide as alignment media for RDC measurements	4
A DFT/machine‐learning hybrid method for the prediction of ³J_HCCH couplings	4
NMR internal standard signal shifts due to cyclodextrin inclusion complexes	3
Synthesis of a novel naphthalenone endoperoxide and structural elucidation by nuclear magnetic resonance spectroscopy and theoretical calculation	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
Influences of polarizability effect of alkyl group and homoring competition effect of substituents on the NMR spectra of salen‐type Schiff base	3
LnDOTA‐d₈, a versatile chemical‐shift thermometer for ²H solid‐state NMR	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
Development of ¹⁹F‐detected 1,1‐ADEQUATE for the characterization of polyfluorinated and perfluorinated compounds	3
Through‐space ¹¹B–²⁷Al correlation: Influence of the recoupling channel	3
On the utility of nonuniformly sampled two‐dimensional NMR spectra in the pharmaceutical industry	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
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
Accurate measurements of self‐diffusion coefficients with benchtop NMR using a QM model‐based approach	3
An approach to fast 2D nuclear magnetic resonance at low concentration based on p‐H₂‐induced polarization and nonuniform sampling	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
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
Triterpenes and limonoids of Cedrela: Distribution, biosynthesis, and ¹H and ¹³C NMR data	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
The powder X‐band electron paramagnetic resonance spectroscopy of septet pyridyl‐2,4,6‐trinitrene	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
Perspective: A potential role for NUS in metabolite‐based in vitro diagnostics	3
Computer‐assisted structure elucidation (CASE): Current and future perspectives	3
You cannot fight the pressure: Structural rearrangements of active pharmaceutical ingredients under magic angle spinning	3
Application of accelerated heteronuclear single quantum coherence experiments to the rapid quantification of monosaccharides and disaccharides in dairy products	3