Irina Oshchepkova
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Articles
Recent activity by Irina Oshchepkova-
Spectrus: Handling NMR spectra with low signal‑to‑noise ratio
DescriptionLow S/N spectra can make peak picking and integration difficult. Spectrus includes tools (smoothing, zero‑filling, appropriate apodization) to improve the appearance and extract usable i...
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Spectrus: Using NMR reference libraries to compare spectra
DescriptionSpectrus can store reference NMR spectra for known compounds. Comparing new spectra with library entries helps quickly confirm identity or highlight differences.SolutionBuild or access a...
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Spectrus: Identifying and annotating impurities in NMR spectra
DescriptionNMR spectra often contain small impurity peaks from side products, solvents, or stabilizers. Properly identifying and annotating these peaks helps distinguish them from analyte signals.S...
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Spectrus: Correlating IR and NMR data to confirm functional groups
DescriptionIR and NMR provide complementary information about functional groups. Using both in a single Spectrus project helps confirm structural assignments.SolutionImport both IR and NMR spectra ...
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Spectrus: Handling exchangeable protons (OH, NH) in NMR assignment and integration
DescriptionExchangeable protons (OH, NH) may broaden, shift, or disappear depending on solvent, temperature, and conditions (e.g., D2O exchange). This complicates integration and assignment.Solutio...
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Spectrus: NMR – Using line broadening and apodization to improve spectral appearance
DescriptionRaw NMR FID data can be processed with different apodization (window) functions and line broadening values. Proper use of these settings can improve signal‑to‑noise ratio and peak appear...
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Spectrus: Exporting NMR spectra as images for reports and presentations
DescriptionUsers frequently need to include NMR spectra in documents or slides. Spectrus can export high-quality images of spectra with annotations.SolutionOpen the processed NMR spectrum in Spectr...
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Spectrus: Referencing chemical shifts to a standard (TMS or solvent)
DescriptionAccurate chemical shift referencing is important for comparing spectra and reporting assignments. Spectra are usually referenced to TMS (0 ppm) or to residual solvent peaks with known po...
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Spectrus: Choosing acquisition parameters for quantitative NMR (qNMR)
DescriptionQuantitative NMR requires specific acquisition settings so that signal integrals are directly proportional to the number of nuclei. If relaxation delays are too short or pulse angles are...
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Spectrus: Using an internal standard for quantitative NMR (qNMR)
DescriptionQuantitative NMR (qNMR) requires an internal standard with known purity and concentration. Spectrus can use integrals of the analyte and standard peaks to calculate analyte concentration...