Metal-free synthesis and study of glycine betaine derivatives in water for antimicrobial and anticancer applications.

A sustainable synthesis of interesting glycine betaine derivatives from cyclic 3°-amines viz. N-methyl morpholine (NMM), N-methyl piperidine (NMP), and 1,4-diazabicyclo[2.2.2]octane (DABCO) with numerous aryl diazoacetates 1 in water and under blue LED is reported. Generally, 3°-amines and metal carbenoids (from diazoacetates with transition metal catalysts) provide C-H insertion at the α-position of the amines. Computational comparison of the metal carbenoid with the singlet carbene (metal free and generated under blue LED) realized the difference in reactivity. Next, experimental results corroborated the preliminary findings. The products were isolated either by precipitation of the solid or gel-like final products from the aqueous reaction mixture without any chromatographic purification. The reaction mechanism was realized by control experiments. These compounds exhibit selective bactericidal properties against Gram-positive S. aureus, induce lipid droplets (LDs) formation in HePG2 cells and single crystal X-ray diffraction study of their halogenated analogs reveal interesting Hal … Hal contacts.

"All-Aqueous" Tandem Boc-Deprotection and Alkylation of N-Bocbenzimidazole Derivatives under Visible Light with Alkyl Aryl Diazoacetates: Application to Site-Selective Insertion of Carbenes into the N-H Bond of Purines.

Herein, we have reported a blue LED-induced tandem Boc-deprotection and NH-alkylation of benzimidazole derivatives with methyl aryl diazoacetates. The reactions occur in water at room temperature. The desired products are obtained in good to excellent yields. The putative mechanism of this reaction is discussed based on control experiments and supported by DFT studies. Additionally, the strategy is used to alkylate various purine derivatives via site-selective N1-alkylation to generate acyclic nucleoside analogues.

Theoretical investigation of C1-C4 hydrocarbons adsorption and separation in a porous metallocavitand.

The purification of light hydrocarbons is one of the most important chemical processes globally which consumes substantial energy. Porous materials are likely to improve the efficiency of the separation process by acting as regenerable solid adsorbents. To investigate such translational systems, the underlying mechanism of adsorption in the porous materials must be taken into account. Herein we report the adsorption and selective separation of C1-C4 hydrocarbons in the coinage metal-based macrocyclic metallocavitand Pillarplex, which exhibits excellent performance in the adsorption of CH4 at the ambient conditions with a binding energy of -17.9 kcal mol-1. In addition, the endohedral adsorption of C2-C4 hydrocarbon is impressive. The CH4, C2H4, C3H4, and 1,3-butadiene have potential uptake of 2.57, 4.26, 3.60, and 2.95 mmol g-1, respectively at ambient conditions are highest from their respective isomers. Selective separation of C1-C4 hydrocarbons is studied using ideal adsorption solution theory demonstrating its potential for one-step purification of C1-C3 hydrocarbons.

Influence of the extent of enzymatic hydrolysis on the functional properties of protein hydrolysates from visceral waste of Labeo rohita.

The study aimed to evaluate the extent of hydrolysis on the functional properties of fish protein hydrolysates from fish wastes. Fish protein hydrolysate (FPH) was prepared from the visceral waste of Rohu (Labeo rohita) using Alcalase®. Independent variables of the hydrolysis conditions, namely, time, temperature and enzyme-substrate ratio were optimized through response surface methodology using a completely randomized factorial design. Functional properties of FPH, such as antioxidant activity, metal chelating activity, emulsifying and foaming capacity were studied. Pre-heating of the raw viscera resulted 83% reduction of lipid content in the FPH. The DH was found to be significantly influenced by the hydrolysis conditions studied. The gel electrophoretic study showed that FPH contained peptides in the range of < 10-25 kDa. Optimum degree of hydrolysis (DH) was obtained as 34.7% at 87.5 min, 48.64 °C and enzyme concentration of 0.99%. The results demonstrated that the antioxidant and metal chelating properties of FPH increased with the increase of DH. The surface active properties like emulsifying and foaming capacity were found to be decreased with the increased levels of hydrolysis. These results suggest that hydrolysates from visceral waste of Rohu could find potential use as supplement in animal feed.

Modelling the impact of a smallpox attack in India and influence of disease control measures.

OBJECTIVES: To estimate the impact of a smallpox attack in Mumbai, India, examine the impact of case isolation and ring vaccination for epidemic containment and test the health system capacity under different scenarios with available interventions. SETTING: The research is based on Mumbai, India population. INTERVENTIONS: We tested 50%, 70%, 90% of case isolation and contacts traced and vaccinated (ring vaccination) in the susceptible, exposed, infected, recovered model and varied the start of intervention between 20, 30 and 40 days after the initial attack. PRIMARY AND SECONDARY OUTCOME MEASURES: We estimated and incorporated in the model the effect of past vaccination protection, age-specific immunosuppression and contact rates and Mumbai population age structure in modelling disease morbidity and transmission. RESULTS: The estimated duration of an outbreak ranged from 127 days to 8 years under different scenarios, and the number of vaccine doses needed for ring vaccination ranged from 16 813 to 8 722 400 in the best-case and worst-case scenarios, respectively. In the worst-case scenario, the available hospital beds in Mumbai would be exceeded. The impact of a smallpox epidemic may be severe in Mumbai, especially compared with high-income settings, but can be reduced with early diagnosis and rapid response, high rates of case finding and isolation and ring vaccination. CONCLUSIONS: This study tells us that if smallpox re-emergence occurs, it may have significant health and economic impact, the extent of which will depend on the availability and delivery of interventions such as a vaccine or antiviral agent, and the capacity of case isolation and treatment. Further research on health systems requirements and capacity across the diverse states and territories of India could improve the preparedness and management strategies in the event of re-emergent smallpox or other serious emerging infections.

Multiple myeloma: a case of atypical presentation on protein electrophoresis.

Multiple myeloma is a group of B-cell disorders resulting in the secretion of a specific and unique monoclonal immunoglobulin (M-protein). Protein electrophoresis is advised whenever multiple myeloma is suspected. The monoclonal protein migrates as a single entity in the electric field and is detected by the non-specific protein stain as a more intensely stained band superimposed on the usual protein pattern. The M-protein usually migrates in the gamma or beta region of the normal protein pattern; very rarely it may appear in the α2 or even in α1 region. Here we have given an atypical case presentation where the patient with multiple myeloma presented with two M-spike one each in α2 and ß-globulin region on agarose gel protein electrophoresis with hypoglobulinemia but with reversed A:G ratio.

Metabolic syndrome--prevalence and significance of its detection in selected population in Pondicherry.

Obesity by itself is not an immediate lethal disease, however, it is a significant risk factor associated with a range of serious non-communicable diseases. Our aim is to find out the prevalence of metabolic syndrome in interns coming from higher socioeconomic class. Sixty one interns participated in the study. BMI, WHR and blood chemistry were performed. EGIR criteria were considered to identify the metabolic syndrome. According to EGIR criteria, insulin resistance was found in 24.5% cases and metabolic syndrome exists in 14.7% of overweight/obese interns. Insulin resistance as per HOMA-IR was found in 6% of those having metabolic syndrome. High diastolic blood pressure, low HDLc are prone to develop metabolic syndrome by six times where as an increase in WHR (central obesity) particularly in male are eleven times more prone to develop metabolic syndrome.

Iodine deficiency in school going children of Pondicherry.

OBJECTIVE: To assess the status of iodine deficiency in Pondicherry by finding out the urinary excretion of iodine and the prevalence of goiter among school children. METHODS: 315 children between the age group of 9-13 yr from 30 schools in Pondicherry were examined for the presence of goiter and their urine samples were subjected to biochemical analysis to find out the urinary iodine levels (UIE). RESULTS: The percentage of children who had inadequate iodine intake and showed urinary iodine level of less than 100 mcg/ L was 44.4%. Amongst them, 14.3% had a greater degree of iodine deficiency with less than 50 mcg/L of iodine in urine. The prevalence of goiter was 15.24%. CONCLUSION: The prevalence of goiter is high. The iodine intake is quite low as exhibited by the UIE levels of < 100mcg/L in the children in Pondicherry, which might have had an unseen impact on the intelligence and school performance of these children.