NMRium: Teaching nuclear magnetic resonance spectra interpretation in an online platform

• Luc Patiny,
• Hamed Musallam,
• Alejandro Bolaños,
• Michaël Zasso,
• Julien Wist,
• Metin Karayilan,
• Eva Ziegler,
• Johannes C. Liermann and
• Nils E. Schlörer

Beilstein J. Org. Chem. 2024, 20, 25–31, doi:10.3762/bjoc.20.4

• (Bruker, Jeol) without conversion and then can be subjected to an educational protocol of FT, phase correction (manual or automatic), baseline correction, and signal analysis by peak picking and integration. Students can interactively observe the effect of the parameters on their spectra as all operations

• are recorded as “filters” whose arguments may be reversed or changed afterwards to alter the appearance of the processed spectrum [39]. Alternative to performing peak picking and integration separately, NMRium provides the ‘ranges’ picking (Figure 2), a combined tool for signal selection, integration

• control online if their suggestion is correct. Building one’s own exercises The options presented before do not involve the entire potential of NMRium for teaching. Lecturers may want to include peak picking, or for example, for assignment purposes, ranges/zones picking and the possibility to link signals

Clustering and curation of electropherograms: an efficient method for analyzing large cohorts of capillary electrophoresis glycomic profiles for bioprocessing operations

• Ian Walsh,
• Matthew S. F. Choo,
• Sim Lyn Chiin,
• Amelia Mak,
• Shi Jie Tay,
• Pauline M. Rudd,
• Yang Yuansheng,
• Andre Choo,
• Ho Ying Swan and
• Terry Nguyen-Khuong

Beilstein J. Org. Chem. 2020, 16, 2087–2099, doi:10.3762/bjoc.16.176

• for assessment. With large cohorts of CE-LIF data, peak picking and peak area calculations still remain a problem for fast and accurate quantitation, despite the presence of internal and external standards to reduce misalignment for the qualitative analysis. The peak picking and area calculation

• ; electropherogram; glycosylation; monoclonal antibodies; peak picking; process development; Introduction Glycosylation is important for the efficacy and function of a majority of the most dominant biologic drugs currently on the global market. In the case of antibody-based biotherapeutics, the absence of

• . This can be caused by a combination of sample complexity, temperature, pH, day of analysis, and other physicochemical fluctuations during the operation of the analysis. Although GU calculation can help solve this for the qualitative analysis, there is still difficulty automating peak picking due to