Short Reaction Research Articles

One-Pot Green Synthesis of Novel Thiazolepyridine Conjugated Benzamides as Anti-Bacterial Agents and their Molecular Modelling Studies

Background: Thiazolepyridine scaffold is considered to be one of the prime constituents of many biologically significant chemical entities. Methods: A set of novel thiazolepyridine derived heterocyclic hybrids, N-phenyl-2-(thiazolo[5,4- b]pyridin-2-yl)benzamides were synthesized by one-pot three-component reaction of 3-aminopyridine-2- thiol, diethyl phthalate, and anilines in a mixture of ethanol and water using HCl as a catalyst. The developed synthetic protocol, which is sustainable and economical, includes the easy work-up procedure, nontoxic, shorter reaction times. This procedure leads to high reaction yields. Results: The synthesized derivatives were screened for their antibacterial activity on Staphylococcus aureus and Bacillus subtilis strains, and 4b,4e, and 4f exhibited moderate bacterial growth inhibition. Similarly, physiochemical properties and different target-based bioactivity scores have been predicted, and almost all the synthesized derivatives scores were found in the accepted range when compared with the standard values. Conclusion: Further structural modifications of the titled compounds would help to understand the structure- activity relations, to design safe and effective lead-like antibacterial agents.

Synthesis, characterization and Density Functional Theory of novel one-pot thioalkylated benzimidazole-linked 4-substituted mercaptoimidazole molecular hybrids via multi-component approach

A series of novel, one-pot, four components synthetic procedure has been developed for the synthesis of thioalkylated benzimidazole-linked 4-substituted mercaptoimidazole molecular hybrids and their benzyl derivatives (4a–j) and (5a–f) were synthesized by the reaction of 5-amino-2-mercaptobenzimidazole, with different substituted phenacyl bromides/aryl alkyl halides in the presence of glacial acetic acid and fused sodium acetate under reflux condition to give corresponding intermediates. These compounds on further reaction with ammonium thiocyanate via multi-component reaction to give the title compounds (4a–j) and (5a–f). All the newly synthesized compounds were well characterized by their spectral and analytical studies. This procedure includes several advantages such as transition metal-free, catalyst-free, mild reaction temperature, shorter reaction time, and gives good to excellent yields without any column purification techniques. Further, mechanistic insight into the formation of the final products has also been provided based on their density functional theory (DFT) studies.

Steglich’s Base Catalyzed Three-Component Synthesis of Isoxazol-5-Ones

4-(Dimethylamino)pyridine (DMAP) has been used as an efficient Brønsted organo-base catalyst for the one-pot, three-component cyclization of various aldehydes, β-keto esters, and hydroxylamine hydrochloride. In this organocatalyzed reaction, 3,4-disubstituted isoxazole-5(4H)-ones were efficiently formed in high yields and relatively shorter reaction times. Using 8 mol% of DMAP, a mixture of water–ethanol solvent system, and 80 °C gave the best results. The three-component heterocyclization using arylaldehydes containing electron releasing groups is well performed and heterocyclic products were obtained in good to high isolated yields. Aldehydes with electron withdrawing groups did not lead to the formation of products. This method has many advantages such as broad substituent scope, mild and eco‐friendly conditions, step and atom economy, commercially available, and inexpensive organo-basic catalyst.

Plutus: Money Management Application for Smart Phones

Money management in the current world has become a highly stressful profession, and the introduction of online payments such as UPIs, Net Banking, and other similar services has made the task of keeping track of the money we save even more difficult. We reviewed the various approaches for constructing a more secure and efficient mobile application that collects and calculates inputs faster with a shorter reaction time than typical apps in this study. Key Words: Mobile application; money manager; application development; manage expenses; user interface development; gamification

Psychomotor abilities of candidates for Polish Special Forces

Combat tasks involving special units often put a mental and physical strain on the soldiers. During the military operation, soldiers may struggle with multiple difficulties such as extreme physical effort, sleep deprivation, weather conditions, limited access to food and stress. These circumstances require a high level of cognitive ability (including psychomotor abilities) to overcome the physiological stress response and to be able to quickly and efficiently make decisions under stressful situations, especially in combat. The aim of the study was to assess the level of the psychomotor abilities of candidates for the Polish Special Forces. The study comprised 48 candidates for the Polish Special Forces (age: 30.06 pm 2.87), 40 athletes (age: 27.93 pm 3.91) and 40 non-athletes (age: 24). The study was performed using Test2Drive software. Four computer-based tests were used to assess the following psychomotor abilities: simple reaction time, choice reaction time, hand-eye coordination and two-dimensional visuomotor coordination/spatial orientation test (SPANT). The analysis demonstrated statistically significant differences in reaction time and motor time between the study groups. The shortest reaction time in each test was observed in athletes, while the shortest motor time was observed in soldiers. All the psychomotor tests, except for the number of correct answers in SPANT, demonstrated statistically significant differences between the studied groups. It was also found that military training had a positive effect on the motor time in every psychomotor test. As regards the reaction time, it was observed that the athletes were characterised with better reaction times than the special forces candidates. The study has confirmed that military training and sports training have a positive effect on the level of psychomotor abilities, especially motor time.

Dissociable causal roles of the frontal and parietal cortices in the effect of object location on object identity detection: a TMS study.

According to the spatial congruency advantage, individuals exhibit higher accuracy and shorter reaction times during the visual working memory (VWM) task when VWM test stimuli appear in spatially congruent locations, relative to spatially incongruent locations, during the encoding phase. Functional magnetic resonance imaging studies have revealed changes in right inferior frontal gyrus (rIFG) and right supra-marginal gyrus (rSMG) activity as a function of object location stability. Nevertheless, it remains unclear whether these regions play a role in active object location repositioning or passive early perception of object location stability, and demonstrations of causality are lacking. In this study, we adopted an object identity change-detection task, involving a short train of 10-Hz online repetitive transcranial magnetic stimulations (rTMS) applied at the rIFG or rSMG concurrently with the onset of VWM test stimuli. In two experimental cohorts, we observed an improved accuracy in spatially incongruent high VWM load conditions when the 10Hz-rTMS was applied at the rIFG compared with that in TMS control conditions, whereas these modulatory effects were not observed for the rSMG. Our results suggest that the rIFG and rSMG play dissociable roles in the spatial congruency effect, whereby the rIFG is engaged in active object location repositioning, while the rSMG is engaged in passive early perception of object location stability.

A Facile Synthesis of Bioactive Five- and Six-membered N-heterocyclic Aromatic Compounds Using AlCoFe2O4 as a Green Catalyst.

Nitrogen-containing heterocycles have been extensively studied due to their broad biological and pharmaceutical applications. In this study, we synthesized five- and six-membered nitrogen-containing rings through one-pot multicomponent reaction using an aluminium-doped cobalt ferrite nano-catalyst. The nano-catalyst was prepared by the co-precipitation method from the corresponding metal salts. The obtained results show that the proposed catalyst has a high efficiency and has enabled the formation of the desired products with high efficiency and purity. In addition, simplicity of operation, facile purification of products, shorter reaction times, mild reaction conditions, easy separation and recyclability of the catalyst, are the main advantages of this catalyst.

Synthesis of 5-arylidene-3-(pyridin-4-yl)-2-thio-imidazolidinone derivatives with the end of flexible chain modified with aryl groups under microwave

A series of 2-thio-imidazolidinone derivatives with aryl group modifications at the end of the five-carbon side chain were synthesized. Compared with conventional heating, the target compounds were obtained in higher yield (77–95%) and shorter reaction time under the assistance of microwave heating 100 °C over 2 h.

Comparison of Visual Simple Reaction Time Performances of Boxers and Wrestlers

Background: It is known that reaction time, which is of great importance in terms of athlete performance, is one of the most difficult sports performance parameters to develop. Reaction time performance in Athletes may vary according to the sport branch in terms of development. Especially in combat sports such as boxing and wrestling, reaction time is of such great importance that it can directly or indirectly affect the outcome of the competition. Aim: In this study, it was aimed to compare the visual simple reaction time performances of boxing and wrestling athletes. By comparing the simple visual reaction times of boxers and wrestlers, the effects of both branch trainings on the reaction time were tried to be determined. Methods: This research was carried out with the participation of 30 male athletes between the ages of 14-17. It was held with the participation of a total of 30 male athletes, including 15 boxers and 15 wrestlers, who have been licensed contestants for at least three years and are still actively participating in the competitions. The heights of the participants were measured with a wall-mounted stadiometer (Holtain Ltd. England), their body weights were measured with an electronic scale (Seca, Germany), and their visual simple reaction time performance was measured with a Reaction Time device (Hubbard Scientific 6027). Data were analyzed with the IBM Statistics (SPSS, ver. 22.0, Armonk, NY) program. Results: The mean age of the boxing group (N=15) was 15.46±1.06, the mean height was 175.53±4.18, the mean body weight was 61.00±8.03 and the mean reaction time was 23.66±2.99. The mean age of the wrestling group (N=15) was 15.40±1.12, the mean height was 170.46±4.29, the mean body weight was 62.80±8.65 and the mean reaction time was 25.93±2.68. Conclusion: In this study comparing the visual simple reaction time performances of boxers and wrestlers, it was concluded that boxing training is more effective in shortening reaction time performance compared to wrestling training. Keywords: Reaction Time, Sporting Performance, Martial Arts

The Effectiveness of Price Promotions in Purchasing Affordable Luxury Products: An Event-Related Potential Study.

Similar to traditional luxuries, affordable luxuries enjoy a high level of perceived product quality and perceived social status, but the effectiveness of price promotions of purchasing affordable luxury products is different from that of traditional luxuries. In order to further investigate the purchases of affordable luxuries, we used event-related potential (ERP) technology to reveal the formation of the purchase intention toward affordable luxuries at original prices (high or low) and current prices (discounted or non-discounted). Compared with the high-priced affordable luxury without a price promotion and the low-priced affordable luxury with a price promotion, consumers showed a stronger intention toward the high-priced affordable luxury with a price promotion, by weighing up three factors, perceived product quality, perceived social status, and perceived monetary saving at the behavioral level. A shorter reaction time emerged in the price promotion condition than in the absent price promotion condition when the original price was low. At the neural level, a decrease in N2 amplitude was found in the high original price and discounted current price condition than the high original price and non-discounted current price condition and the low original price and discounted current price condition, respectively, suggesting that the price information of the latter two conditions might not be the expectation information of subjects, and thus, the enhanced conflict is produced. The high-priced affordable luxury product without a price discount evoked a more positive LPP amplitude than the high-priced affordable luxury product with price promotions or than the low-priced affordable luxury item without price promotions, demonstrating that participants could regard the former as an evaluative inconsistent condition and the latter as evaluative consistent conditions. These results are helpful to better understand the effects of price promotions on purchasing affordable luxury products at different original prices.

Synthesis of multiple quinoline derivatives using novel ionic liquid-based nano-magnetic catalyst (MNPs@SiO2-Pr-AP-tribromide)

Recently, magnetic iron oxide nanoparticles functionalized with various organic groups increasing attention in the synthesis of the organic compounds. In this study, ionic liquid nano-magnetic pyridinium-tribromide (MNPs@SiO2-Pr-AP-tribromide) as a new nano-catalyst was synthesized. The structure of the catalyst was identified by FT-IR, TGA, XRD, FE-SEM, EDX, EDS, TEM and VSM analysis. The nano-catalyst was efficient for the synthesis of quinoline derivatives through the one-pot reaction of 2-amino-5-chlorobenzophenone and pentane-2,4-dione. The advantages of this catalyst are easy preparation, large surface area, renewability, high thermal stability, high activity, shortening reaction time, improving efficiency, easy purification, and mild reaction conditions. The reaction between 2-aminoarylketone and carbonyl compound is now considered as a major strategy for synthesis of quinoline derivatives. Herein, we employed nano-magnetic pyridiniunm-tribromide (MNPs@SiO2-Pr-AP-tribromide) as a versatile catalyst for the fabrication of novel derivatives of quinoline.

Green synthesis of Schiff bases: a review study

Objectives: Green chemistry is the field that implies instruments and procedures, by which it offers significant environmental and financial benefits above traditional synthetic methods. The modern attention in green chemistry has pretended an additional need for organic synthesis in which different reaction environments must locate, which decreases the use of toxic organic solvents or toxic chemicals.These green methods must enhance the selectivity, shorten reaction time, and make the products isolation simpler than the ordinary routes. In the 19th century, Hugo Schiff recorded the first synthesis of Schiff bases (imines). A Schiff base is considered as an aldehyde with a C=N group (azomethine group) in steed of the C=O group, It is normally produced by condensation of primary amines with aldehydes. Schiff bases entertain many important biologically and pharmaceutical activities and they are distinguished for their pharmacological action and wide-range applications in the food industry.This study tries to focus on the green synthetic methods used for Schiff bases synthesis, in order to find the best technique that offers higher yields in shorter time within eco-friendly environment.Conclusions: The review considered many green synthetics techniques, from which the microwaves irradiation method is considered to be the best followed by the ultrasonic, natural acids utilizing and grinding methods.

Microwave Assisted Synthesis of Benzoxazole-Triazole Hybrid Derivatives as Antimicrobial Agents

A series of new 1,3-benzoxazole based 1,2,3-triazoles compounds were synthesized using click reaction under conventional and microwave irradiation methods. The microwave irradiation method gave higher yields, shorter reaction time as compared to conventional method using green solvents, eco-friendly reaction conditions. All the targeted compounds were characterized by IR, 1H, 13C NMR and mass spectral analysis. Furthermore, the titled compounds were screened for their in vitro antimicrobial activity against bacterial strains such as Staphylococcus aureus, Bacillus subtilis, Klebsiella pneumoniae and Escherichia coli as well as fungi such as Aspergillus niger, Aspergillus flavus and Fusarium oxysporum. Most of the compounds displayed good to excellent antimicrobial activity in comparison to standard drugs.

Antibacterial Investigation and Structural Study on Few ortho-Mercapto-azo Compounds by Spectroscopic Techniques and DFT Calculation

An efficient method has been applied for the synthesis of bivalent ortho-mercapto-azo compounds by using green reduction, condensation using ionic liquid and green debenzylation. These greener steps provide the benefits like higher yields, shorter reaction times and simple work-up. Density functional theory (DFT) calculation and XRD analysis proved the ionic nature of these compounds as 2-arylbenzo-1-thia-2,3-diazol-2-ium (BTD+) bromide due to intramolecular cyclization between electrophilic sulfur atom and ortho-azo group. Some extent of LUMO orbital is present in electrophilic sulfur atom in BTD+ bromides. These sulfenyl bromides were also found to be active against antibacterial strains.

Catalytic Approaches to Multicomponent Reactions: A Critical Review and Perspectives on the Roles of Catalysis.

In this review, we comprehensively describe catalyzed multicomponent reactions (MCRs) and the multiple roles of catalysis combined with key parameters to perform these transformations. Besides improving yields and shortening reaction times, catalysis is vital to achieving greener protocols and to furthering the MCR field of research. Considering that MCRs typically have two or more possible reaction pathways to explain the transformation, catalysis is essential for selecting a reaction route and avoiding byproduct formation. Key parameters, such as temperature, catalyst amounts and reagent quantities, were analyzed. Solvent effects, which are likely the most neglected topic in MCRs, as well as their combined roles with catalysis, are critically discussed. Stereocontrolled MCRs, rarely observed without the presence of a catalytic system, are also presented and discussed in this review. Perspectives on the use of catalytic systems for improved and greener MCRs are finally presented.

Optimization of ultrasound-assisted liquefaction of solid digestate to produce bio-oil: Energy study and characterization

Among the possibilities for industrial waste valorization, liquefaction is gaining interest as it may provide alternative energy and high value-added products. In this context, this work focuses on the production of bio-oil through ultrasound (US)-assisted direct liquefaction. For the reaction, polyethylene glycol (PEG) and crude glycerol were selected. As this process is conducted by raising reaction temperature, US provided it, while shortening reaction time, through the cavitation phenomenon. For liquefaction reaction optimization, a response surface methodology (Box-Behnken design) was performed. As independent variables, US-amplitude, reaction time and solvent-to-biomass ratio were selected. On the other side, bio-oil yield, high calorific value (HCV) and energy consumption were chosen as dependent responses. Optimal results showed a bio-oil yield of 34.17% (reached in<20 min), HCV of 28.44 MJ/kg and energy consumption (US) of 11.477 kJ. Moreover, differences between predicted and experimental values were found to be negligible. Bio-oil was also characterized using Fourier transform infrared (FT-IR) and chromatography-mass spectrometry gas (GC–MS). Both techniques showed a profile rich in phenols and poly-oils, which can be used as precursors for industrial products, i.e. polymers. Finally, to check the impact of liquefaction on solid digestate, scanning electron microscopy (SEM) analysis was carried out. Results showed an increase in porosity, fragment and conglomerate. It may be concluded that the use of US as auxiliary energy in solid digestate liquefaction, to produce bio-oil, provides energy saving. Thus, the proposed valorization path aids consolidating the concept of circular economy through an efficient biorefinery model.

Recognition of Affective Faces of Different Age Groups

It has been found that valence and arousal are the core affect dimensions in emotional structure. In this study, we hypothesized that there might be differences between different age groups in emotional structure using six facial expression stimuli (angry, disgusted, fearful, neutral, happy, and sad) of three age groups (young, middle-aged, and old). Unlike previous studies asking participants to rate subjective ratings or similarities between stimuli, participants in this study were required to determine whether stimulus pairs were the same or different emotions and reaction time and accuracy were measured for further analyses. We assumed that it would be harder when the stimulus pair is similar whereas it would be easier when the pair is different. The results showed that for the same emotion pair condition, the sad-sad pair had the lowest accuracy and the longest reaction time, while the happiness-happiness pair had the highest accuracy and the shortest reaction time. For the different emotion pairs, angry-disgusted and disgusted-sad was the lowest accuracy and the longest reaction time. For age of the stimuli effect, responses to the old faces had the lowest accuracy and the longest reaction time. The results suggest that identification of emotional stimuli might be affected by emotion category and age. Further study may need to recruit various age groups, because participants in the current study were mostly young adults.

Microwave-assisted C-C and C-Heteroatom Bond Formations in an Aqueous Medium

In recent times, microwave-assisted chemistry has gained enormous attraction in organic synthesis owing to its versatile advantages such as avoidance of harsh reaction condition, increase of yield, elimination of by-product, shorter reaction time and removal of wastages. Besides, water as a reaction medium further includes more benefits as it eliminates all the drawbacks of toxic solvent, which may cause injuries for our mother earth. Furthermore, C-C and C-heteroatom bond formation reactions are very significant as most of the drug as well as bioactive compounds contain heterocycles or C-hetero bond, which is a key tool of chemistry. This article demonstrates the advancement on the topic of microwave assisted C-C and C-heteroatom bond formation reactions in aqueous medium.

Comparative analysis of loop-mediated isothermal amplification (LAMP)-based assays for rapid detection of SARS-CoV-2 genes

The COVID-19 pandemic caused by SARS-CoV-2 has infected millions worldwide, therefore there is an urgent need to increase our diagnostic capacity to identify infected cases. Although RT-qPCR remains the gold standard for SARS-CoV-2 detection, this method requires specialised equipment in a diagnostic laboratory and has a long turn-around time to process the samples. To address this, several groups have recently reported the development of loop-mediated isothermal amplification (LAMP) as a simple, low cost and rapid method for SARS-CoV-2 detection. Herein we present a comparative analysis of three LAMP-based assays that target different regions of the SARS-CoV-2: ORF1ab RdRP, ORF1ab nsp3 and Gene N. We perform a detailed assessment of their sensitivity, kinetics and false positive rates for SARS-CoV-2 diagnostics in LAMP or RT-LAMP reactions, using colorimetric or fluorescent detection. Our results independently validate that all three assays can detect SARS-CoV-2 in 30 min, with robust accuracy at detecting as little as 1000 RNA copies and the results can be visualised simply by color changes. Incorporation of RT-LAMP with fluorescent detection further increases the detection sensitivity to as little as 100 RNA copies. We also note the shortcomings of some LAMP-based assays, including variable results with shorter reaction time or lower load of SARS-CoV-2, and false positive results in some experimental conditions and clinical saliva samples. Overall for RT-LAMP detection, the ORF1ab RdRP and ORF1ab nsp3 assays have faster kinetics for detection but varying degrees of false positives detection, whereas the Gene N assay exhibits no false positives in 30 min reaction time, which highlights the importance of optimal primer design to minimise false-positives in RT-LAMP. This study provides validation of the performance of LAMP-based assays as a rapid, highly sensitive detection method for SARS-CoV-2, which have important implications in development of point-of-care diagnostics for SARS-CoV-2.

A Facile, Efficient Step-Wise and Alternative Synthesis of Indolyl Triazoles via “Click” Chemistry

series of new 1,2,3 triazoles hybrids were synthesized using a Cu-catalysed azide-alkyne cycloaddition reaction. Thus, a remarkable rapid click reaction of aryl azides with terminal alkynes at room temperature in DMF afforded new 4-((1-((1-(4-methoxy-3-nitrophenyl)-1H-1,2,3-triazol-4- yl)methyl)-1H-indol-3-yl)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-ones in good to excellent yields. The reaction provides a safe, efficient and economic approach for the synthesis of various 1,2,3 triazoles. The reaction has many advantages like shorter reaction times, good yields of products and isolation of the products without the need for column chromatography. By using knoevenagel reaction under physical grinding with alkylating agents prepared various 1,2,3 triazoles.