John Shinggu

• Senior Researcher at Federal University Wukari

One of the main problems with experimental methods for detecting proton affinity (PA) is that they cannot perform site-specific protonation. For heteronuclear molecular species that have two or more protonation sites, the experimental PA measurement only yields a single PA value for each molecular species, with no information on the protonation sit...

In contemporary world, fostering diversity, equity, and inclusion (DEI) has become a major concern for organizations across various sectors. Inclusion, diversity, and equity acknowledge that individuals have varying backgrounds and might require particular resources to realize their full potential. This chapter delves into effective strategies to c...

The study of various weakly bound complexes in the interstellar medium has posed significant challenges. Isoprene which is a fundamental organic molecule, and Argon which is a noble gas, form a complex that serves as an essential model system for examining molecular interactions in space. This research investigates the isoprene-Argon complex throug...

The discovery of lupeol, a triterpenoid compound (C30H50O), in the ethyl acetate leaf extract of Justicia secunda (Blood root), has opened doors to extensive research and development opportunities in natural product-based pharmaceuticals. Lupeol’s versatile pharmacological properties, including anti-inflammatory, anticancer, antidiabetic, and antiv...

Study’s Excerpt/Novelty This study provides a comprehensive computational analysis of the thermodynamic properties of isoelectronic diatomic interstellar molecular species containing oxygen and sulfur atoms, spanning a wide range of interstellar temperatures. By investigating entropy, free energy, heat capacity, and internal energy, the research re...

Cancer remains a significant challenge in healthcare, spurring ongoing exploration for effective therapies. Computational methods, emerging as invaluable tools in drug discovery, have garnered attention for their cost-effectiveness and efficiency. In this study, we investigate the anticancer potential of 1-Guanidinosuccinimide and Benzene-ethanamin...

Erectile dysfunction (ED) is a prevalent condition affecting a significant portion of the male population. This research delves into the potential link between Griseofulvin, a known antifungal medication, and its impact on erectile function. A comprehensive computational approach was employed. Optimization of griseofulvin was carried out using the...

The landscape of higher education is undergoing a profound transformation marked by a growing recognition of the pivotal role diversity and inclusion play in fostering academic excellence and societal progress. The exploration begins by unraveling the conceptual intricacies of diversity and inclusion. It delves into the varied dimensions of diversi...

Machine Learning (ML) has become a game-changing tool in many scientific sectors, altering research and spurring progress in a wide range of fields. The incorporation of ML approaches has created new predictive modelling opportunities in the context of thermochemistry, enabling more accurate and efficient prediction of the thermodynamic parameters...

In the investigation of rotating spectra concerning the interstellar medium, machine-learning approaches have been documented as effective instrument. The understanding of molecular rotational transitions in space and can be a significant source of information on the dynamics, physical properties, and chemical make-up of interstellar spaces. Tradit...

The synthesis and preliminary antibacterial screening of a novel organic ligand, Salicylaldehyde-3-aminobenzoic acid (SAB), and its metal complexes are reported in this study. SAB was synthesized through a simple condensation reaction between salicylaldehyde and 3-aminobenzoic acid. The complexes were prepared from SAB and salts of Fe 2+ and Ni 2+....

Variability in antioxidant profiles, particularly within plant extracts like Justicia secunda and other plant extracts, presents a significant challenge for researchers striving to attain consistent and dependable outcomes in the realm of antioxidant profiling. This variability is predominantly attributed to the choice of solvents used during the e...

This research presents a comprehensive computational study of deuterated molecular species, namely SCH2, H2, and H2O, focusing on the impact of deuteration on their spectroscopic properties. Utilizing advanced quantum chemical methods, including MP2/cc-pVDZ, MP2/6-311*, G4, W2U, and CCSD/cc-pVDZ, the molecular geometries of the deuterated species w...

In recent years, the exploration of natural compounds from plants has gained traction as researchers seek alternatives to conventional cancer therapies. Luteolin and Naringenin, identified in Tigernuts, have been of particular interest due to their established anti-cancer potential within the broader class of flavonoids. Against the backdrop of ris...

Corrosion, a pervasive challenge in materials science and engineering, necessitates continuous efforts to develop effective corrosion inhibition strategies. The article explores recent advances in experimental techniques employed for corrosion inhibition studies, shedding light on insightful methodologies and their diverse applications. The pursuit...

We studied the thermodynamic properties of 18 isoelectric diatomic interstellar molecular species (known and potential) containing oxygen and the corresponding isoelectronic atom; Sulphur, by providing a comprehensive data set for these molecules of astrophysical importance. We began this by computing its partition function q with the GAUSSIAN 09 s...

Dipole-dipole interactions, the basic forces controlling molecular behaviour, have wide-ranging effects on chemistry, biology, and materials research. Understanding these interactions plays a key role in molecular recognition, self-assembly, and solvation, and is essential for deciphering complex molecular processes. While useful, conventional appr...

In our exploration of interstellar molecular chemistry, we focus on deciphering the stabilities of various carbon chain formations-Cn, H2Cn, HCnN, and CnX (X=N, O, Si, S, H, P, H-N-). These molecular entities, constituting a significant 20% of known interstellar and circumstellar molecules, undergo meticulous examination through advanced ab-initio...

The study unravels the dynamic interplay of energy, stability, and abundance, providing profound insights into the composition of the interstellar medium. This investigation promises to unveil the underlying principles shaping the celestial tapestry of astrochemistry. High-level quantum chemical calculations provide accurate enthalpies of formation...

Within the rich field of interstellar chemistry, a prevailing hypothesis posits that the majority of interstellar cations serve as inherent precursors for their corresponding neutral analogues, a phenomenon orchestrated through their dissociative recombination. This study describes the nuanced dynamics of this process, exploring the protonation of...

This research encompasses the computational exploration of protonation's impact on the structural and spectroscopic properties of specific molecules, specifically focusing on Isocyanic acid (HNCO), Phosphorine (PH3) and Carbonyl Sulfide (OCS). Diverse computational techniques were harnessed, spanning G4, MP2/CC-pvdz, CCSD/CC-pvdz, and W2U methodolo...