Govt. College of Arts,Science & Commerce, Khandola, Marcela-Goa
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New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium
(Royal Society of Chemistry, 2024) Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher
A series of solvatomorphic structures of the anti-inflammatory drug diclofenac (dcfn−) and the dense hydrogen bond donor propane-1,3-diaminium (H2pn2+) are reported. Single crystal X-ray diffraction shows each structure contains a dcfn2·H2pn formula unit (1) with solvent of crystallisation [1·2H2O, 1·3H2O, 1·2MeOH, 1·EtOH·2H2O, 1·iPrOH, 1·2DMSO]. The propane-1,3-diaminium molecules evoke extensive networks of hydrogen-bonded interactions with the solvates and the dcfn carboxylate groups. All structures are lamellar with hydrophilic solvate-containing sheets separating hydrophobic layers of aromatic dcfn moieties. Supporting characterisations by powder X-ray diffraction, Fourier transform infrared and 1H NMR spectroscopies, thermal analysis (TG–DSC) and elemental microanalysis were used to reveal the sometimes delicate phase distributions amongst this set of compounds. TG–DSC showed a consistent pattern across the water and alcohol-containing compounds with desolvation occurring before melting to an anhydrous ionic liquid form around 140–150 °C. Heating to approximately 200 °C induces a minor dehydration reaction that covalently links diclofenac and propan-1,3-diaminium molecules via amide bond formation. A mechanochemical synthetic route to 1·3H2O was determined and this compound was selected for study by gravimetric water vapour adsorption. These studies showed the lamellar structure of 1·3H2O displays reversible but imperfect water adsorption between 0% and 50% relative humidity, which is ascribed to some crystal fatigue. This work expands crystal engineering strategies for new and existing active pharmaceutical ingredients to low molecular weight diamines.
Challenges & Opportunities of Infrastructure Development of an Island Village: A Case Study of Chodan Island in Goa
(ESI Publications, 2021) Salgaonkar, Seema P.; Gaded, Akbar
Reliable and effective infrastructure remains a major challenge in the villages. The scenario is still more grim for Island villages which often remain isolated from the mainland. Lack of
infrastructure and favourable improvement escalates and create many hardships affecting the productive life of the villagers. This paper highlights the infrastructural needs of the Island village and how lack of infrastructure, specifically, adequate and timely transport facility, adversely affect the villagers.
Invitro cytotoxicity and DNA interaction studies of nickel(II) mefenamato compounds with substituted α-diimines
(Elsevier, 2025) Vernekar, Beena K.; Harmalkar, Nikita N.; Gaonkar, Sanket K.; Barretto, Delicia A.; Maliwal, Deepika; Pissurlenkar, Raghuvir R.; Bhowmik, Pradip K.; Dhuri, Sunder N.
Two bioactive nickel(II) compounds of mefenamic acid (Hmef) with substituted α-diimines as co-ligands have been characterised using various spectroscopic methods and evaluated for cytotoxicity, DNA interaction and antioxidant studies, molecular docking and dynamics studies. Single crystal structures of [Ni(Mef-O)2(etobpy)(H2O)] 1 and [Ni(Mef-O)2(dmbpy)(H2O)(DMF)] 2, (etobpy = 4,4′-diethoxy 2,2′-bipyridine, dbmbpy = 4,4′-dimethyl-2,2′-bipyridine and DMF = N, N′-dimethylformamide) have been determined using single crystal X-ray diffraction technique. The mefenamato ligand adopts two types of coordination modes (mono- and bidentate) in 1, while in compound 2 both mef ligands display monodentate behaviour. The Ni(II) ion in both compounds shows a distorted octahedral geometry binding to two N and four O atoms. The cytotoxicity results revealed the activity of 1 and 2 against cancerous HepG2 in a dose-dependent manner. % DPPH free radical scavenging activity of 1 and 2 when performed, they exhibited IC50 values of 17.02±0.85 μM and 19.89±0.73 μM respectively, depicting their antioxidant nature. DNA binding properties of 1 and 2 were assessed by UV absorption spectroscopy, which suggested an intercalating binding between the complexes and the DNA. Both complexes act as potential agents towards DNA cleavage with the dose-dependent rise of Form II and III DNA. Further, Their interactions with DNA were studied using molecular docking and molecular dynamics simulations. Both 1 and 2 are intercalating in the major groove of DNA fragment, destabilizing the double helix strand during simulation, proving as potential candidates for cytotoxicity.
Design, synthesis, and biological evaluation of 5ʹ-deoxy (N)-methanocarbanucleoside derivatives as A3 adenosine receptor ligands
(Elsevier, 2025) Kim, Minjae; Naik, Siddhi D.; Kim, Seung Woo; Joung, Misuk; Yum, Yun A.; Aswar, Vikas R.; Jeong, Lak Shin
Based on the potent and selective antagonism exhibited by truncated North (N)-methanocarba adenosine analogs, we synthesized a series of 5ʹ-deoxy (N)-methanocarba nucleosides to explore their structure–activity relationships (SAR). The stereoselective synthesis of the North cyclopropyl-fused alcohol was achieved from d-ribose using ring-closing metathesis, oxidative rearrangement, and cyclopropanation as key steps. Mitsunobu reactions were employed to condense nucleobases with glycosyl donors, followed by N6 functionalization with various amines. Despite their innovative design, all synthesized analogs exhibited lower binding affinity compared to the 4ʹ-thio series and fully truncated (N)-methanocarba adenosine. Docking studies revealed that the 4ʹ-methyl group of the rigid North conformational sugar introduces steric clashes, which likely contribute to the reduced affinity. These findings underscore the critical role of sugar conformation and steric effects in receptor interactions, providing valuable insights for the development of potent and selective A3AR ligands.
An Analysis of Educational and Health status of Scheduled Tribe Women in Goa
(Itihasacharya V. K. Rajwade Sanshodhan Mandal, 2024) Phadte, Manisha; Rath, Seema P.
Women's education is important to strengthen the economy. It is the right of all girls and young women to receive quality education. However, every female does not have access and can complete their education especially those belonging to ethnic groups which results into various negative outcomes. The present study aims to study the educational and health status of women belonging to Scheduled Tribe community in Goa state, India. Primary data of 121 ST women aged from 27 to 65 years has been used for this study. The results of the study shows that the educational status of ST women is low and their health condition is moderate in Goa. Thus, there is a need to take appropriate measures to improve their educational as well as health status.