Aqueous phase synthesis of polysubstituted pyrimidines/pyrrolidines catalyzed by β-cyclodextrin

Highly substituted pyrimidine/pyrrolidine derivatives were synthesized for the first time in water under neutral conditions by the reaction of aromatic amines, dimethyl/diethyl acetylene dicarboxylates, formaldehyde mediated by β-cyclodextrin (β-CD) in good to excellent yields. β-Cyclodextrin can be recovered and reused without any loss of catalytic activity. The β-Cyclodextrins employed were inexpensive and readily available when compared to other types of cyclodextrins (α, γ)

IMPACT OF PHARMACIST LED ANTICOAGULATION MONITORING AND PATIENT EDUCATION ON ORAL ANTICOAGULATION THERAPY WITH ACENOCOUMAROL

  Objective: Acenocoumarol is anoral anticoagulant with narrow therapeutic index, and the ideal dose of anticoagulation lies between International normalized ratio (INR) values of 2.0 and 3.5. Lack of monitoring and knowledge on acenocoumarol therapy may compromise patient's safety resulting in under- or over-anticoagulation. A study was conducted to monitor for the safety of anticoagulation therapy, achievement of goal INR levels and to assess the impact of pharmacist led anticoagulation monitoring and patient education on the rational use of acenocoumarol in patients admitted in cardiology wards with thromboembolic disorders.Methods: The study was conducted in 70 patients; data collection was done, prescriptions were analyzed for drug-drug interactions and adverse drug reactions (ADRs). Patients' knowledge on acenocoumarol therapy was assessed using a self-developed questionnaire at the baseline, then were subjected to a detailed patient education and on an average each patient received three sessions of education. They were again made to answer the same questionnaire on the day of discharge. The mean score of the responses before and after education was compared statistically using Wilcoxon signed rank test and McNemar test.Results: There were 60% patients under anticoagulated with the INR range of >2.0. 123 drug interactions were observed in 58 patients, on an average of 2 interactions per prescription, but no ADRs were observed. 59 patients (84.3%) showed significant overall improvement in knowledge on anticoagulation therapy following education.Conclusion: This study implies the role of clinical pharmacists in achieving better clinical outcomes in patients receiving oral anticoagulation therapy with acenocoumarol

Structure, chemical reactivity, NBO, MEP analysis and thermodynamic parameters of pentamethyl benzene using DFT study

This study explores the structural, molecular and electronic properties of the pentamethyl benzene (PMB) using quantum chemical calculations employing DFT/ B3LYP/6–311++G(d,p) level of theory. Structural parameters, HOMO-LUMO energies, chemical reactivity descriptors and molecular electrostatic potential (MEP) were evaluated from the optimized molecular geometry. The computed small band gap energy, correlated with the UV–visible spectrum, demonstrates that the test molecule has good biological activity. NLO activity of the molecule was also studied by evaluating dipole moment and first order hyperpolarizability values. Intra-molecular charge transfer, donor-acceptor transitions and stabilizations energies were determined from the analyses of natural bond orbital (NBO) and natural population. 1H and 13C chemical shifts were computed from the simulated NMR spectrum following GIAO approach in DMSO‑d6 solvent at the same level of DFT. Furthermore, thermodynamic parameters and rotational constants were also calculated for this molecule

Aqueous phase synthesis of polysubstituted pyrimidines/pyrrolidines catalyzed by β-cyclodextrin

Highly substituted pyrimidine/pyrrolidine derivatives were synthesized for the first time in water under neutral conditions by the reaction of aromatic amines, dimethyl/diethyl acetylene dicarboxylates, formaldehyde mediated by β-cyclodextrin (β-CD) in good to excellent yields. β-Cyclodextrin can be recovered and reused without any loss of catalytic activity. The β-Cyclodextrins employed were inexpensive and readily available when compared to other types of cyclodextrins (α, γ)

An environmentally benign and efficient synthesis of 2-thio-substituted benzothiazoles

An environmentally benign, simple and highly efficient method for the synthesis of 2-thio-substituted benzothiazole derivatives has been achieved in good to excellent yields by reacting a series of aryl halides with 2-mercapto benzothiazole, using recyclable CuFe2O4 nanoparticles under ligand free conditions in PEG-400 as solvent. In the present protocol, the copper ferrite nanoparticles can be recovered and reused up to four cycles without significant loss of activity

Evaluation of phototherapy devices used for neonatal Hyperbilirubinemia

Objective: To compare phototherapy devices based on their physical and photo-biological characteristics viz spectral properties, maximum and mean irradiance, treatable percentage of body surface area, decay of irradiance over time and in vitro photoisomerisation of bilirubin. Design: In vitro experimental study. Setting: Ocular pharmacy laboratory at a tertiary care hospital. Methodology: All the characteristics were measured at a fixed distance of 35 cm from one compact fluorescent lamp (CFL) and three light emitting diode (LED) phototherapy devices in a dark room with an irradiance of < 0.1μW/cm2/nm. Estimation of products of in vitro photoisomerisation was done using liquid chromatography — tandem mass spectroscopy (LC-MS/MS). Results: The emission spectral data were comparable between the phototherapy devices. The devices, however, differed in their maximum irradiance with the spot and indigenous LED units having the highest and lowest values, respectively (56.5 and 16.8μW/cm2/nm). The mean irradiance — measured in 5x5cm grids falling within the silhouette of a term baby — of the spot and improvised LED devices were low (26.8μW/cm2/nm and 11.5μW/cm2/ nm, respectively) possibly due to unevenness in the irradiance of light falling within the silhouette. There was a significant difference in the amount of bilirubin left after exposure to light over a 2-hour time period (% reduction of bilirubin) among the four devices (P=0.001); at 120 minutes after exposure, the amount of bilirubin left was lowest for the CFL (16%) and spot LED (17%) devices and highest for the indigenous LED unit (41%). Conclusions: The four phototherapy devices differed markedly in their physical and photobiological characteristics. Since the efficacy of a device is dependent not only on the maximum irradiance but also on the mean irradiance, rate of decay of irradiance, and treatable surface area of the foot print of light, each phototherapy device should have these parameters verified and confirmed before being launched for widespread use