Irina Oshchepkova
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Articles
Recent activity by Irina Oshchepkova-
Spectrus: Using J-resolved 2D NMR spectra to separate chemical shift and coupling information
DescriptionJ-resolved 2D NMR spectra separate chemical shift (one axis) from scalar coupling (other axis), simplifying analysis of crowded 1H spectra. Spectrus can display and process J-resolved ex...
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Spectrus: Using 2D TOCSY to define spin systems in crowded spectra
DescriptionTOCSY (Total Correlation Spectroscopy) helps identify complete spin systems by showing through-bond correlations across a network of coupled protons. In crowded 1H spectra, this can clar...
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Spectrus: Using NMR spectral overlays with historical lots to verify Sample Identity
DescriptionRe‑manufactured or reformulated materials can be verified by overlaying their NMR spectra with historical reference lots. Spectrus simplifies this overlay and comparison.SolutionImport t...
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Spectrus: Using Solvent Suppression Reference Peaks as an Indicator of Temperature Stability in NMR experiments
DescriptionThe chemical shift of residual solvent peaks can shift slightly with temperature. Repeated measurements of the same sample over time can use these peaks as a rough indicator of temperatu...
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Spectrus: Organizing multi-experiment NMR data (1H, 13C, DEPT, HSQC, HMBC) for a single compound
DescriptionFull characterization of a compound may include several NMR experiments (1H, 13C, DEPT, HSQC, HMBC, NOESY, etc.). Spectrus allows all these datasets to be organized and cross‑linked in a...
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Spectrus: Using concentration series to check linearity of integrals in NMR spectra
DescriptionTo validate quantitative NMR conditions, users may record spectra for a series of solutions at different concentrations and check that integrals scale linearly with concentration. Spectr...
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Spectrus: Digital Resolution Limits and Appropriate Zero Filling in NMR Spectra
DescriptionDigital resolution (points per Hz) limits how finely peaks are sampled. Too few points can make closely spaced peaks appear as one. Zero‑filling can improve the appearance of resolution ...
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Spectrus: Distinguishing dynamic exchange from impurity peaks in NMR spectra
DescriptionAdditional or broadened peaks in NMR spectra may arise from dynamic exchange (e.g., conformers, rotamers, proton exchange) rather than discrete impurities. Correctly distinguishing these...
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Spectrus: Combining NMR Data from Multiple Field Strengths (400 & 600 MHz) to characterize a single compound
DescriptionThe same compound may be measured at different field strengths. Combining these spectra in a single Spectrus record provides a richer dataset for teaching, method comparison, or advanced...
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Spectrus: Handling NMR spectra with very broad peaks (aggregation or paramagnetism)
DescriptionVery broad NMR peaks may result from aggregation, paramagnetic centers, or slow molecular tumbling. Such spectra are challenging for assignment and quantitation, but Spectrus can still h...