Vitamin B1 as a metal-free organocatalyst for greener Paal–Knorr pyrrole synthesis

This investigation discloses a greener reaction to prepare pyrrole derivatives. Metal-free catalysts are greener alternatives to existing metal catalysts in synthetic organic chemistry. Indeed, transition metals are often costly and toxic. They may be found as traces in health reaction products such as pharmaceuticals. Alternatively small organic molecules termed “organocatalysts” allow the synthesis of valuable products without traces of toxic metals. Here, we show for the first time the use of vitamin B₁ as new organocatalyst for the Paal–Knorr pyrrole synthesis under ambient conditions. Reaction conditions were optimized for the reaction of hexane-2,5-dione with 4-methoxyaniline. Ethanol was the most effective solvent. The conversion was quantitative using vitamin B₁, by comparison with a low yield of 30?% without catalysis. The best conditions were performed in ethanol with 5?mol % of vitamin B₁ during 1?h. This reaction was tested using various aromatic amines. To conclude the use of vitamin B₁ for the Paal–Knorr pyrrole, cyclocondensation has mild reaction conditions, is simple to perform, and gives moderate to excellent yields. It is therefore a promising reaction for the preparation of various pyrrole derivatives.     

Modeling a periodic electric vehicle–routing problem considering delivery due date and mixed charging rates using metaheuristic method

The coupling of ever-increasing consumption of fossil fuels around the globe with the decrease in the availability of fossil fuel supplies has led to an increased cost of energy commodities, which together with ever-expanding requirements for reducing the level of environmental pollutions has resulted in an ever-increasing deal of attention to alternative transportation schemes such as electric vehicles (EVs). Since decades ago, national governments and environmental activists have initiated various efforts towards reducing atmospheric pollutions. A part of such effort has been focused on reducing the use of internal combustion vehicles and rather replacing them with EVs. In this research, we attempt to fill in this research gap by presenting a mathematical model for minimizing the sum of traveled distance and recharging cost of EVs per a given period and then solving it by simulated annealing (SA) algorithm. Results of the proposed algorithm were then compared to those of coding in GAMS for 30 different sample problems with different counts of customers, EVs, and charging stations. Numerical results indicated good efficiency of the metaheuristic algorithm in terms of processing time and solution quality. Indeed, with the SA algorithm, the processing time was seen to increase gradually with increasing the problem complexity, while the rate of increase in processing time was much steeper with the GAMS.