i-manager Publications

i-manager's Journal on Chemical Sciences (JCHEM)

Current Issue Vol. 4 Issue 3

Bio Inspired Supramolecular Chemistry: Insights from Quantum Chemical Bonding Analyses
Exploring the Stability and Synthetic Applications of Chiral Methylmetals in Asymmetric Organic Reactions
Optimisation of Microfabricated Devices for Neural Circuit Modelling
The Role of Educational Software in Chemistry: Teaching a Case Study on Interactive Learning
Efficient Synthesis of Losartan Potassium: An Improved Two-Step Method

Most Cited

Volume 4 Issue 3 September - December 2024

Research Paper

Bio Inspired Supramolecular Chemistry: Insights from Quantum Chemical Bonding Analyses

Rasul Omar* , Ayala Sofia**

*-** Department of Chemistry, Al-Farabi Kazakh National University, Almaty, Kazakhstan.

Omar, R., and Sofia, A. (2024). Bio Inspired Supramolecular Chemistry: Insights from Quantum Chemical Bonding Analyses. i-manager’s Journal on Chemical Sciences, 4(3), 1-13. https://doi.org/10.26634/jchem.14.3.21763

Abstract

Bio-inspired supramolecular chemistry harnesses the principles of non-covalent interactions, particularly hydrogen bonding, to design novel molecular assemblies with enhanced structural and functional properties. This study employs quantum-chemical approaches based on Kohn-Sham density functional theory (KS-DFT) to elucidate the nature of hydrogen bonding in both biological and synthetic supramolecular systems. By analyzing hydrogen-bonded base pairs, DNA duplex stability, guanine-quadruplex structures, and hydrogen-bonded amides, we establish how electronic interactions govern molecular stability and reactivity. Our findings demonstrate that the charge transfer component of hydrogen bonding, rather than electrostatics alone, plays a critical role in dictating molecular behavior. The results provide theoretical insights for the rational design of novel materials, biomimetic structures, and potential applications in catalysis and molecular electronics.

References

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[10]. Gargallo, R., Aviñó, A., Eritja, R., Jarosova, P., Mazzini, S., Scaglioni, L., & Taborsky, P. (2021). Study of alkaloid berberine and its interaction with the human telomeric i-motif DNA structure. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 248, 119185.

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Research Paper

Exploring the Stability and Synthetic Applications of Chiral Methylmetals in Asymmetric Organic Reactions

Elisa Fabio*

Department of Chemical Sciences, Federal University of Bahia, Salvador, Brazil.

Fabio, E. (2024). Exploring the Stability and Synthetic Applications of Chiral Methylmetals in Asymmetric Organic Reactions. i-manager’s Journal on Chemical Sciences, 4(3), 14-21. https://doi.org/10.26634/jchem.14.3.21767

Abstract

Chiral methylmetals play a crucial role in modern synthetic chemistry, particularly in asymmetric synthesis. This paper explores the configurational stability of organolithium compounds and their applications in stereoselective reactions. We discuss the configurational retention of chiral methyllithium derivatives and their transformations via Stille coupling. Experimental observations highlight the stability of various chiral metal-methyl complexes under different reaction conditions. Comparisons with existing literature suggest that these complexes are potential candidates for selective organic transformations. The study contributes to the understanding of organolithium behavior and extends its applicability in industrial and pharmaceutical chemistry.

References

[1]. Chen, X., Ma, Y., & Tang, W. (2023). Chiral methylmetals in optoelectronics: Liquid cr ystal applications. Advanced Materials, 35(5), 4550-4565.

[2]. Hata, T. (2021). Studies on the synthetic aspects of f luoromethylmetal reagents in stereoselective transformations. Tetrahedron Letters, 82(5), 112–124.

[3]. Huo, S. (2021). Computational modeling of chiral methylmetal stability in asymmetric synthesis. Journal of Computational Chemistry, 45(2), 231–247.

[4]. Huo, S., Zhang, P., & Xie, T. (2022). Ionic liquid-assisted asymmetric synthesis: A green alternative to conventional solvents. Green Chemistry, 24(3), 675-689.

[5]. Li, H., Sun, J., & Zhao, L. (2023). Machine learning in asymmetric catalysis: Predicting enantiomeric excess in organometallic reactions. Chemical Science, 14(5), 1125-1140.

[6]. Lu, H., Zhang, Y., Ge, X., & Li, G. (2021). Catalytic decarboxylative C−N formation to generate alkyl, alkenyl, and aryl amines. Angewandte Chemie International Edition, 60(15), 7541–7550.

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Research Paper

Optimisation of Microfabricated Devices for Neural Circuit Modelling

Sophie Barrow*

Department of Chemistry, University of Chemistry and Technology, Prague, Czechoslovakia.

Barrow, S. (2024). Optimisation of Microfabricated Devices for Neural Circuit Modelling. i-manager’s Journal on Chemical Sciences, 4(3), 22-31. https://doi.org/10.26634/jchem.14.3.21768

Abstract

The increasing prevalence of neurodegenerative diseases such as Parkinson's and Alzheimer's necessitate more advanced neural circuit models for research and drug development. Traditional rodent models fail to replicate human brain complexity, leading to high late-stage clinical trial failure rates. This study presents the development and optimisation of a humanised microfluidic in vitro neuronal model using compartmentalised microfabricated devices to culture SH-SY5Y neurons. The differentiation protocol was refined to promote long, functional neurons suitable for forming unidirectional circuits. Electrophysiological assessment through calcium imaging and multi-electrode array (MEA) recordings confirmed neuronal activity. The successful integration of SH-SY5Y neurons into PDMS devices demonstrates the potential of this model for long-term studies of neural circuit behaviour. Further developments will enhance neuronal connectivity and disease modelling capabilities.

References

[1]. Bae, M., Yi, H. G., Jang, J., & Cho, D. W. (2020). Microphysiological systems for neurodegenerative diseases in the central nervous system. Micromachines, 11(9), 855.

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[12]. Ming, Y., Abedin, M. J., & Tatic-Lucic, S. (2021). Microdevice for directional axodendritic connectivity between micro 3D neuronal cultures. Microsystems & Nanoengineering, 7(1), 292.

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[16]. Pramotton, F. M., Spitz, S., & Kamm, R. D. (2024). Challenges and future perspectives in modeling neurodegenerative diseases using organ on a chip technology. Advanced Science, 11(5), 3892.

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Research Paper

The Role of Educational Software in Chemistry: Teaching a Case Study on Interactive Learning

Ehboklang Lamina Diengngan*

Department of Chemistry, Don Bosco College, Tura, Meghalaya, India.

Diengngan, E. L. (2024). The Role of Educational Software in Chemistry: Teaching a Case Study on Interactive Learning. i-manager’s Journal on Chemical Sciences, 4(3), 32-42. https://doi.org/10.26634/jchem.14.3.21775

Abstract

The integration of educational software in chemistry teaching has revolutionized learning by enhancing student engagement and conceptual understanding. This study examines the impact of interactive computational tools, such as Mathematica and other educational software, on chemistry education. A comparative analysis between traditional teaching methods and software-supported learning reveals significant improvements in student performance, engagement, and knowledge retention. The study highlights the potential of interactive tools in modernizing chemistry education and suggests strategies for effective implementation in academic settings.

References

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[12]. Jones, O. A. H., Stevenson, P. G., Hameka, S. C., & Osborne, D. A. (2021). Using 3D printing to visualize 2D chromatograms and NMR spectra for the classroom. Journal of Chemical Education, 98(4), 867–874.

[13]. Kolil, V. K., & Achuthan, K. (2024). Virtual labs in chemistry education: A novel approach for increasing students' laboratory educational consciousness and skills. Education and Information Technologies, 29(2), 1234–1250.

[14]. Körtesi, P., Simonka, Z., Szabó, Z. K., & Gunčaga, J. (2022). The wise use of computer tools for the sustainability of knowledge and developing active and innovative methods in STEM and mathematics education. Sustainability, 14(20), 12991.

[15]. Krassmann, A. L., & Reategui, E. (2022). A systematic review of augmented reality in chemistry education. Review of Educational Research, 92(3), 456–478.

[16]. Lehtola, S., & Karttunen, A. J. (2022). Free and open- source software for computational chemistry education. Wiley Interdisciplinary Reviews: Computational Molecular Science, 12(3), e1610.

[17]. Lu, Y., & Saihong, P. (2023). Comparison of learning achievement in chemistry between traditional and AI- based learning. Educational Research and Reviews, 18(5), 123–130.

[18]. Lytvynova, S., & Medvedieva, M. (2020, October). Educational computer modelling in natural sciences education: Chemistry and biology aspects. In ICTERI Workshops (pp. 532-546).

[19]. McDonald, A. R., Roberts, R., & Koeppe, J. R. (2022). Undergraduate structural biology education: A shift from users to developers of computation and simulation tools. Current Opinion in Structural Biology, 72, 112–124.

[20]. Muliadi, D. (2024). The moderation effect of organizational culture on employee performance based on information technology and training. Performance, 6 (01), 168-179.

[21]. Nechypurenko, P., & Selivanova, T. (2022). Using virtual chemical laboratories in teaching the solution of experimental problems in chemistry. In Educational Technology: Challenges and Applications (pp. 336–350). Springer.

[22]. Oladejo, A. I., Akinola, V. O., & Nwaboku, N. C. (2021). Teaching chemistry with computer simulation: Would senior school students perform better. Crawford Journal of Multidisciplinary Research, 2(2), 16-32.

[23]. Rodgers, T. L., Bolton, P., & van der Gryp, P. (2023). An interactive graph resource for chemical engineering teaching. Education for Chemical Engineers, 43(1), 35–47.

[24]. Schmidt, J. R. (2022). WebMO: Web based computational chemistry calculations in education and research. Wiley Interdisciplinary Reviews: Computational Molecular Science, 12(6), e1554.

[25]. Sreekanth, G. R., Latha, R. S., Roja, R., Sankarnanth, S., & Gayathri, A. (2024, March). Detection of corn leaf infection using CNN with various optimizers. In 2024 2nd International Conference on Artificial Intelligence and Machine Learning Applications Theme: Healthcare and Internet of Things (AIMLA) (pp. 1-7). IEEE.

[26]. Sypsas, A., & Kalles, D. (2023). Analysis, evaluation and reusability of virtual laboratory software based on conceptual modeling and conformance checking. Mathematics, 11(9), 2153.

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Research Paper

Efficient Synthesis of Losartan Potassium: An Improved Two-Step Method

Prashant Rajendra Sonawane*

Savitribai Phule Pune University, Maharashtra, India.

Sonawane, P. R. (2024). Efficient Synthesis of Losartan Potassium: An Improved Two-Step Method. i-manager’s Journal on Chemical Sciences, 4(3), 43-47. https://doi.org/10.26634/jchem.14.3.21569

Abstract

A highly effective and high-yield synthetic approach for producing Losartan Potassium in two steps is presented. The method begins with Trityl Losartan, which undergoes a reaction with Potassium Tertiary Butoxide in Tetrahydrofuran to yield Losartan Potassium. Subsequently, purification using Isopropyl alcohol results in the production of pure Losartan Potassium.

References

[1]. Chen, Z., Guo, Y., Niu, H., Wang, J., Li, J., Li, C., & Qiao, R. (2022). Development of a new synthetic route of the key intermediate of Irbesartan. Organic Process Research & Development, 26(8), 2438-2446.

[2]. Deprez, P., & Vevert, J. P. (1996). Synthesis of difluoromethylthio imidazole from methylthio imidazole. Journal of Fluorine Chemistry, 80(2), 159-162.

[3]. Fu, J. (2025). Angiotensin II receptor antagonists for treatment of hypertension: The discovery of losartan and its analogs. In Medicinal Chemistry and Drug Development (pp. 109-139). Elsevier.

[4]. Madasu, S. B., Vekariya, N. A., Koteswaramma, C., Islam, A., Sanasi, P. D., & Korupolu, R. B. (2012). An efficient, commercially viable, and safe process for preparation of losartan potassium, an angiotensin II receptor antagonist. Organic Process Research & Development, 16(12), 2025-2030.

[5]. Mavromoustakos, T., Moutevelis-Minakakis, P., Kokotos, C. G., Kontogianni, P., Politi, A., Zoumpoulakis, P., & Iliodromitis, E. (2006). Synthesis, binding studies and in vivo biological evaluation of novel non-peptide antihypertensive analogues. Bioorganic & Medicinal Chemistry, 14(13), 4353-4360.

[6]. Patel, M. R. (2010). Synthesis and Evaluation of Aniline Derivatives of Biphenyl-2- Carboxylicacid as an Antihypertensive Agent (Doctoral dissertation, Institute of Pharmacy, Nirma University, A'bad).

[7]. Pijeira, M. S. O. (2019). Synthesis of Fluorine-18- Labeled Losartan Analogs as Novel Positron Emission Tomography Tracers for Cancer Imaging. Sao Paulo.

[8]. Shiota, T., Yamamori, T., Sakai, K., Kiyokawa, M., Honma, T., Ogawa, M., & Nakajima, S. (1999). Synthesis and structure-activity relationship of a new series of potent angiotensin II receptor antagonists: Pyrazolo [1, 5-α] pyrimidine derivatives. Chemical and Pharmaceutical Bulletin, 47(7), 928-938.

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[10]. Thakur, R. R., Sharma, A., & Kashiv, M. (2011). Formulation, evaluation and optimization of mouth dissolving tablets of losartan potassium: A cost effective antihypertensive drug. Journal of Pharmacy Research, 4(7), 2294-96.

i-manager's Journal on Chemical Sciences (JCHEM)

Current Issue Vol. 4 Issue 3

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Volume 4 Issue 3 September - December 2024

Bio Inspired Supramolecular Chemistry: Insights from Quantum Chemical Bonding Analyses

Rasul Omar* , Ayala Sofia**

*-** Department of Chemistry, Al-Farabi Kazakh National University, Almaty, Kazakhstan.

Omar, R., and Sofia, A. (2024). Bio Inspired Supramolecular Chemistry: Insights from Quantum Chemical Bonding Analyses. i-manager’s Journal on Chemical Sciences, 4(3), 1-13. https://doi.org/10.26634/jchem.14.3.21763

Abstract

References

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Exploring the Stability and Synthetic Applications of Chiral Methylmetals in Asymmetric Organic Reactions

Elisa Fabio*

Department of Chemical Sciences, Federal University of Bahia, Salvador, Brazil.

Fabio, E. (2024). Exploring the Stability and Synthetic Applications of Chiral Methylmetals in Asymmetric Organic Reactions. i-manager’s Journal on Chemical Sciences, 4(3), 14-21. https://doi.org/10.26634/jchem.14.3.21767

Abstract

References

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Optimisation of Microfabricated Devices for Neural Circuit Modelling

Sophie Barrow*

Department of Chemistry, University of Chemistry and Technology, Prague, Czechoslovakia.

Barrow, S. (2024). Optimisation of Microfabricated Devices for Neural Circuit Modelling. i-manager’s Journal on Chemical Sciences, 4(3), 22-31. https://doi.org/10.26634/jchem.14.3.21768

Abstract

References

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The Role of Educational Software in Chemistry: Teaching a Case Study on Interactive Learning

Ehboklang Lamina Diengngan*

Department of Chemistry, Don Bosco College, Tura, Meghalaya, India.

Diengngan, E. L. (2024). The Role of Educational Software in Chemistry: Teaching a Case Study on Interactive Learning. i-manager’s Journal on Chemical Sciences, 4(3), 32-42. https://doi.org/10.26634/jchem.14.3.21775

Abstract

References

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Efficient Synthesis of Losartan Potassium: An Improved Two-Step Method

Prashant Rajendra Sonawane*

Savitribai Phule Pune University, Maharashtra, India.

Sonawane, P. R. (2024). Efficient Synthesis of Losartan Potassium: An Improved Two-Step Method. i-manager’s Journal on Chemical Sciences, 4(3), 43-47. https://doi.org/10.26634/jchem.14.3.21569

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