Dear Authors
The manuscript titled 'Metal-Free Synthesis of Thermally Stable Blue Fluorescent m-Terphenyls by Ring Transformation of 2H-pyran-2-ones: Chemical Synthesis, Spectroscopy, and Computational Studies' authored by Kole et al. is commendable for its reported preparation of thermally stable fluorescent active stilbene analogues. The authors have meticulously optimized the method for preparing the target compounds through multiple experiments, resulting in the derivation of optimal experimental conditions. Subsequently, the physicochemical properties of the synthesized compounds have been identified. The manuscript is robustly supported by various computational studies, including Density Functional Theory (DFT) experiments, Density Functional Tight Binding (DFTB) calculations, and molecular dynamic simulations. These computational approaches significantly contribute to the understanding of the obtained results. The well-designed and organized experiments make a substantial contribution to the current scientific knowledge in the respective area. The results and discussion section thoroughly explains the experimental data, presenting it in an informative manner. While acknowledging the manuscript's strengths, I would like to propose some minor refinements to enhance its overall presentation and clarity.
1. Including a concise discussion about the confirmation of the compound through spectral data is advisable. This could involve examining the appearance or disappearance of signals, among other relevant factors.
2. It is crucial to exercise careful consideration when selecting excipients, given the broad nature of this term. Authors should exercise precision in their choice of excipients for the manuscript. Specifically, three excipients have been chosen: PVP, Sorbitol, and maltose. It is noteworthy that the latter two compounds fall within the category of sweeteners, while the former is recognized as a disintegrant and binder, among other roles. To enhance consistency, it is recommended that authors opt for excipients belonging to a similar class rather than a diverse range. This discrepancy in excipient classes may potentially account for a significant difference in the 𝛿 [MPa1/2]
3. Including the rationale behind the selection of this molecule as an excipient adds depth to the discussion. A thoughtful exploration of this decision, along with a discussion on potential future directions in this context, would enhance the overall content and provide valuable insights for readers
4. Could you kindly rectify the order of Figure 9 and Figure 10, as it appears they are currently presented in inverse order?
5. The term 'non-covalent interactions' encompasses a broad spectrum, including electrostatic forces, π-effects, van der Waals forces, and hydrophobic effects. It would be beneficial for the authors to specify the primary effects responsible for these interactions, providing a more detailed understanding of the mechanisms involved.
6. There are some typographical errors present in the manuscript. For example, 'natural source' should be in italics, the table number is misrepresented in the Results and Discussion section, and there is an error in mentioning 'equivalent' in Table 2 Scheme. It would be beneficial to conduct a thorough check to ensure accuracy.
7. Enhancing the manuscript would involve incorporating information on the activity of naturally occurring biologically active m-terphenyl-cored compounds, along with their corresponding targets (cell lines)
8. In the experimental section, considering the HRMS analysis conducted by the authors, it is advisable to present the calculated mass in four digits for accuracy. Additionally, it would be beneficial to scrutinize the error percentage in the mass values, comparing the calculated and obtained values. Similarly, please review the GCMS values for accuracy.
9. If feasible, it is recommended to include HRMS values in all cases. Please pay special attention to the mass value of 11f.
10. Mass data is not included in the supplementary data. Kindly include the same.