Showing papers in "Monatshefte Fur Chemie in 2021"
TL;DR: Artemisinin and its derivatives have been the most useful drug for malarial treatment in human history as mentioned in this paper and they have an advantage of a hydrophilic group over other artemisinins.
Abstract: This review provides a recent perspective of artesunate and other artemisinins as antimalarial drugs and their uses in cancer therapy. Artesunate is an artemisinin derivative. Artemisinin is extracted from the plant Artemisia annua. Artemisinin and its derivatives have been the most useful drug for malarial treatment in human history. The artesunate has an advantage of a hydrophilic group over other artemisinins which makes it a more potent drug. On the industrial scale, artemisinins are synthesized in semisynthetic ways. The 1,2,4-endoperoxide bridge of artemisinins is responsible for the drug's antimalarial activity. There is the emergence of artemisinin resistance on Plasmodium falciparum and pieces of evidence suggest that it is mainly due to the mutation at Kelch13 protein of P. falciparum. Clinical trial data show that the artesunate is more favorable than quinine and other artemisinins to treat patients with severe malaria. Pieces of evidence indicate that artemisinins can be developed as anticancer drugs. The mechanism of actions on how artemisinins act as an anticancer drug involves oxidative stress, DNA damage and repair, and various types of cell deaths.
21 citations
TL;DR: In this paper, a catalyst-free and solvent-free three-component tandem approach can synthesize 2amino-4H-chromene scaffolds by Knoevenagel-Michael cyclocondensation of aryl aldehydes, malononitrile, and resorcinol via visible light irradiation as a green promoter at room temperature.
Abstract: Catalyst-free and solvent-free three-component tandem approach can synthesize 2-amino-4H-chromene scaffolds by Knoevenagel–Michael cyclocondensation of aryl aldehydes, malononitrile, and resorcinol via visible light irradiation as a green promoter at room temperature. The significant advantages of the present protocol include energy-effectiveness, catalyst-free, excellent yields, solvent-free, operational simplicity, and high atom-economy, commercially accessible inexpensive preliminary substances, so it meets some features of sustainable and green chemistry.
18 citations
TL;DR: A brief survey of chiral separation of pharmaceutically active substances published over the last three years (2018-2020) can be found in this article, where the authors paid attention to several classes of CHs that have been the most frequently used for drug enantioseparation.
Abstract: This review provides a brief survey of chiral separation of pharmaceutically active substances published over the last 3 years (2018–2020). Chiral separation of drugs is an important area of research. The control of enantiomeric purity and determination of individual enantiomeric drug molecules is a necessity especially for clinical, analytical, and regulatory purposes. Among chromatographic resolution methods, high-performance liquid chromatography based on chiral stationary phases remains the most popular and effective method used for chiral separation of various drugs. In this review, attention is paid to several classes of chiral stationary phases that have been the most frequently used for drug enantioseparation during this period.
18 citations
TL;DR: In this article, a series of coumarin appended triazole hybrids of biotic interest was synthesized through click chemistry approach from the cation based terminal alkynes and aromatic azides.
Abstract: A series of coumarin appended triazole hybrids of biotic interest was synthesized through click chemistry approach from the coumarin based terminal alkynes and aromatic azides. All the synthesized triazoles were characterized by FT-IR, 1H NMR, 13C NMR, and HRMS and assessed for antimalarial activities against plasmodium falciparum strain. Results revealed that most of the synthesized coumarin–triazole hybrid compounds possess moderate to good activity. Further, the synthesized coumarin triazole hybrids were employed for antioxidant activities and were found to be potent antioxidant when compared with standard drug.
15 citations
TL;DR: In this article, a series of myricetin derivatives containing sulfonate groups were designed and synthesized, and preliminary antibacterial activity showed that most of the target compounds exhibited significant biological activities against Xanthomonas axonopodis pv.
Abstract: A series of myricetin derivatives containing sulfonate groups were designed and synthesized. Preliminary antibacterial activity showed that most of the target compounds exhibited significant biological activities against Xanthomonas axonopodis pv. Citri (Xac), Ralstonia solanacearum (Rs), and Xanthomonas oryzae pv. Oryzae (Xoo). In particular, the EC50 value of compound 3e was 13.76 μg/cm3 against Xac, which was better than commercial reagents bismerthiazol (50.32 µg/cm3) and thiodiazole copper. (83.27 µg/cm3), and the EC50 value of compound 3j was 11.92 μg/cm3 against Xoo in vitro, The result was better than that of bismerthiazol (72.08 µg/cm3) and thiodiazole copper (99.26 µg/cm3). Compound 3j displayed the better in vivo activity against rice bacterial leaf blight than bismerthiazol and thiodiazole copper. Meanwhile, the antibacterial mechanism of compounds 3e and 3j was studied by scanning electron microscope (SEM). These results suggested that myricetin derivatives containing sulfonate can be considered as a new antibacterial reagents.
13 citations
TL;DR: A new ONO-tridentate Schiff base ligand (H2L) derived from 3-methoxysalicylaldehyde and nicotinic hydrazide was synthesized and characterized by elemental analysis, FT-IR, 1H NMR, 13C NMRI, UV-Vis, and powder XRD studies as discussed by the authors.
Abstract: A new ONO-tridentate Schiff base ligand (H2L) derived from 3-methoxysalicylaldehyde and nicotinic hydrazide was synthesized and characterized by elemental analysis, FT-IR, 1H NMR, 13C NMR, UV–Vis, and powder XRD studies. Then, oxovanadium(V) and dioxomolybdenum(VI) Schiff base complexes, VOL and MoO2L, were also prepared and characterized by different techniques. Moreover, the catalytic activities of both complexes were investigated for the synthesis of benzimidazoles, benzoxazoles, and benzothiazoles under reflux conditions as well as through ultrasonic irradiation. The results revealed several advantages of this procedure, including high product yields, short reaction times, facile work-up procedure, simplicity in operation, eco-friendly reaction conditions, and green aspects by avoiding toxic catalysts and solvents.
12 citations
TL;DR: In this paper, a functionalized carbon nanofiber and carbon nanotube composite paste electrode was developed for the electrochemical analysis of riboflavin (RF) in 0.2 mM phosphate buffer solution of pH 7.0 in the presence of ascorbic acid.
Abstract: The present work demonstrates the development of functionalized carbon nanofiber and carbon nanotube composite paste electrode towards the electrochemical analysis of riboflavin (RF) in 0.2 M phosphate buffer solution of pH 7.0 in the presence of ascorbic acid. RF shows the enhanced electrochemical reaction at the modified electrode surface with well-resolved and distinct redox peaks than bare carbon nanotube paste electrode. The material characteristics were analyzed using field emission scanning electron microscopy, X-ray powder diffraction, electrochemical impedance spectroscopy, and cyclic voltammetry methods. The proposed electrode gives a fine linear relation between the concentration of RF and oxidation peak current in the linear range of 5.0–60.0 µM with the limit of detection of 15.35 nM and limit of quantification of 51.18 nM. Also, the sensing capability of the electrode for RF analysis was tested in B-complex capsule with fine recoveries.
12 citations
TL;DR: In this article, the authors describe a successful synthesis of halo-aryl and heterocyclic labelled 2,3-dihydro-1H-inden-1-one derivatives by grinding, stirring, and ultrasound irradiation methods.
Abstract: We describe a successful synthesis of halo-aryl and heterocyclic labelled 2,3-dihydro-1H-inden-1-one derivatives, as well as their antibacterial and antifungal properties. A total of 15 derivatives from 2,3-dihydro-1H-inden-1-one were synthesized by grinding, stirring, and ultrasound irradiation methods. The findings revealed that the ultrasound technique is increasingly satisfactory in terms of time and synthetic performance. The synthesized compounds have been tested for their antimicrobial activities against two Gram-positive (Staphylococcus aureus and Bacillus subtilis) and two Gram-negative bacteria (Escherichia coli and Proteus vulgaris), and also two fungal agents (Aspergillus niger and Candida albicans). Most of the compounds were found to exert potent antibacterial action with broad-spectrum antibacterial activity. Likewise, few compounds were revealed to have potent antifungal properties against A. niger and C. albicans. The synthesized compounds were characterized by FT-IR, 1H NMR, 13C NMR, and HRMS spectral techniques.
12 citations
TL;DR: In this article, the authors present a review of electrochemical sensing of water pollutants, which can be used to detect and monitor water pollution and can be helpful for human health protection, but not all of them effective for sensing multiple harmful components in water.
Abstract: The most important part of all kinds of life on Earth is water. The demand for drinking water is increasing due to water pollution and other natural causes. Different types of pollutants in water (metal ions, organic compounds, inorganic salts, pathogens, insecticides, pharmaceuticals) infect the human body and cause many diseases, and some pollutants can be carcinogenic and even fatal. Therefore, there is the need of the day to detect and monitor pollutants. However, many conventional methods are being used, but not all of them effective for sensing multiple harmful components in water. Recently, electrochemical sensing has evolved as potential tools to recognize heavy metal ions, organic chemicals, pesticides, and pathogens into water. The current review covers recent progress in electrochemical sensing of water pollutants, which is helpful for human health protection.
11 citations
TL;DR: In this article, a tri-armed compound was synthesized successfully through cross-coupling, and the compound was mixed with 4-(dodecyloxy)benzoic acid (4-DBA) with 1:1 ratio to produce an organic salt through hydrogen bonding.
Abstract: Liquid crystalline is a state of matter which combines the properties of liquid and a crystalline solid. Ionic liquid crystals are a new class of materials which exhibit phase transition at low temperature. A new structure was synthesized based on a benzene ring carrying three armed, two arms of triazine ring and the third arm is phenoxy benzene. The presence of alkyl chain groups on the periphery reduced the mesophase transitions which are desirable for low-temperature applications of liquid crystals. The substitution was achieved efficiently by Sonogashira coupling. The tri-armed compound was synthesized successfully through cross-coupling. However, it was oily and no transition phase was observed. Therefore, to increase the liquid crystal possibility, the compound was mixed with 4-(dodecyloxy)benzoic acid (4-DBA) with 1:1 ratio to produce an organic salt through hydrogen bonding. The organic salt obtained by ionic interaction between the tri-armed compound and 4-DBA exhibited a phase transition at low temperature. However, ionic liquid crystals are important class of mesomorphic materials and have considered as sealants due to their very low vapour pressure which demonstrated a proficient electrolyte systems for their anisotropic phase such as high ionic conductivity and diffusion along with excellent thermal stability. All the intermediate compounds and final compounds were confirmed by spectroscopic techniques (1H NMR, 13C NMR, FT-IR, and HRMS).
11 citations
TL;DR: In this article, the feasibility of screen-printing electrodes (SPEs) in heavy metal monitoring was discussed, and the current development of SPE in terms of advanced design and configurations was discussed.
Abstract: Heavy metal pollution has become one of the most serious environmental problems in the world, and even a trace amount may cause severe damage to the ecological environment and human health. Therefore, it is essential to develop a fast and reliable on-site detection technique. The conventional methods of detection are capable of effectively carrying out analysis. Nonetheless, concerns such as costly operation and voluminous machinery are raised. Screen-printed electrochemical sensors, also known as screen-printed electrode (SPE), with high sensitivity, short detection time, and excellent adaptability for in-situ measurements, have received tremendous attention recently with the advent of screen-printing technology. Starting with a description of the feasibility of SPE in heavy metal monitoring, this review presented the fundamental principles of SPE sensing, followed by the current development of SPE in terms of advanced design and configurations. The latter part of this review focused on improving the sensitivity and selectivity of SPE through modification in the detection of heavy metals. Different modifying materials (organic, inorganic, composite) and techniques of modification (drop casting, electrochemical deposition) have been scrutinized. Moreover, the applicability of some of these modified SPEs was investigated in real samples.
TL;DR: In this paper, a series of metal(II) complexes of [Mn(L)(OAc)], [Co(L), [Ni(L)), [Cu(L, OAc), and [Zn[L], where HL is Schiff base ligand as 2-[(4,6-dimethylpyrimidin-2-ylimino)methyl]-6-methoxyphenol and -OAc is acetate have been synthesized and characterized by physico-chemical and different spectral techniques.
Abstract: New series of metal(II) complexes of [Mn(L)(OAc)], [Co(L)(OAc)], [Ni(L)(OAc)], [Cu(L)(OAc)], and [Zn(L)(OAc)], where HL is Schiff base ligand as 2-[(4,6-dimethylpyrimidin-2-ylimino)methyl]-6-methoxyphenol and -OAc is acetate have been synthesized and characterized by physico-chemical and different spectral techniques. The synthesized metal(II) complexes have square planar geometry which was proved from above listed characterization methods. The synthesized complexes have remarkable antimicrobial agents than ligand. Absorption titration and viscosity experiments results suggest that metal(II) complexes bind with calf thymus (CT) DNA via groove binding mode. CT-DNA cleavage activities of HL and complexes have been investigated by gel-electrophoresis method. Moreover, molecular docking analysis has been carried out using the DFT optimized geometries to understand the nature of interactions of the synthesized ligand and its metal complexes with DNA and BSA protein. Molecular docking analysis reveals that the metal(II) complexes tend to show good binding affinity towards both DNA and BSA compared to Schiff base ligand.
TL;DR: In this article, an effective, selective, and electrochemically steady cetyltrimethylammonium bromide drop-casted carbon paste electrode was constructed for the detection of amoxicillin in presence of dopamine through cyclic voltammetry method.
Abstract: The effective, selective, and electrochemically steady cetyltrimethylammonium bromide drop-casted carbon paste electrode was constructed for the detection of amoxicillin in presence of dopamine through cyclic voltammetry method. The modified and unmodified electrode materials were characterized by various methods like field emission scanning electron microscopy, cyclic voltammetry, and electrochemical impedance spectroscopy with acceptable results. The constructed modified sensor delivers a higher electrocatalytic nature for the oxidation of 0.1 mM amoxicillin in 0.1 M phosphate buffer saline of 6.5 pH with high peak current and lower peak potential than the bare carbon paste electrode. The analytical applicability of modified electrode for amoxicillin electro-oxidation was detected by increasing the amoxicillin concentration in the range from 10 to 150 µM with fine limit of detection and the limit of quantification of 5.90 µM and 19.67 µM, respectively. This article discloses a facile and recommended approach for the concurrent inspection of amoxicillin in the presence of dopamine. The modified sensor gives high stability, repeatability, reproducibility, and sensitivity. The premeditated method and modified sensor give a fine recovery for amoxicillin detection in medication sample.
TL;DR: In this article, a method for determination of selected heavy metals (Cd, Pb, Cu, Zn, and Ni) in honey bee venom was developed, which consists of wet mineralization with sulfuric acid, nitric acid, under increased temperature, and pressure and subsequent repeated boiling with concentrated Nitric acid.
Abstract: A new method for determination of selected heavy metals (Cd, Pb, Cu, Zn, and Ni) in honey bee venom was developed. Heavy metals are metabolized and incorporated into bee products, including honey and honey bee venom (apitoxin). Their composition reflects contamination of "bee environment", providing information about heavy metal contamination in the neighborhood of human dwellings. Moreover, assessment of bee products contamination is relevant for medicine, as they are a tool for promising therapeutic and chemoprophylactic strategies against COVID-19 (SARS-CoV-2). Owing to the complicated matrix, the developed method consists of wet mineralization with sulfuric acid, nitric acid, under increased temperature, and pressure and subsequent repeated boiling with concentrated nitric acid. Determination of the selected metals was carried out by anodic or cathodic stripping voltammetry on two types of electrodes: pen-type hanging mercury drop electrode (HMDE) and PLA filament with carbon conductive admixture (PLA-C) for 3D printer. Contents of lead and cadmium in all analyzed bee venom samples were on the level of mg kg-1, of nickel and copper about ten times higher, and of zinc on the level of g kg-1. The results achieved using HMDE were recorded with average relative standard deviation (RSD) 5.4% (from 3.2% to 8.6%) and using PLA-C 11.8% (from 6.5% to 18.0%). The results achieved using both electrodes proved to be equivalent with statistical probability higher than 95%.
TL;DR: In this article, the host-guest complex properties of calix[4]arene compounds (the 3rd generation supramolecule) against the 5-fluorouracil (5-FU) anticancer drug by density functional theory calculations at room temperature were reported.
Abstract: In this study, it has been reported the host–guest complex properties of calix[4]arene compounds (the 3rd generation supramolecule) against the 5-fluorouracil (5-FU) anticancer drug by density functional theory calculations at room temperature. The B3LYP hybrid method was used to determine the optimized structures of the host and guest molecules and their complexes. The adsorption energy changes of the complexes formed between calix[4]arene compounds and 5-FU drug were calculated to be negative values. The strongest interaction was determined for the water-soluble calix[4]arene compound with sulfonyl (–SO3H) groups (ΔE = − 98 kJ/mol and ΔH = − 100.5 kJ/mol). Moreover, it was determined that HOMO–LUMO gaps of all calix[4]arene compounds decreased. The charge transfer has occurred between the four calix[4]arene compounds and the drug molecule. The work function values of calix[4]arene compounds have been changed. These results indicate that calix[4]arene derivatives can be used as well-suited 5-FU sensor at room temperature. Solvent effect calculations have stated that the interaction of 5-FU molecule with the calix[4]arene compound with sulfonyl (–SO3H) groups weakens and the ΔE becomes less negative value (− 71.6 kJ/mol).
TL;DR: In this article, a novel uric acid biosensor based on Fe3O4 nanoparticles modified carbon paste electrode is described, which exhibited high selectivity, good repeatability, reproducibility, and stability.
Abstract: A novel uric acid biosensor based on Fe3O4 nanoparticles (Fe3O4NPs) modified carbon paste electrode is described. Electron transfer characteristics of bare (CPE) and Fe3O4NP-modified carbon paste electrodes (Fe3O4/CPE) were studied by cyclic voltammetry and electrochemical impedance spectroscopy. The voltammetric study indicated that the incorporation of Fe3O4NPs into carbon paste increased the electroactive surface area of the electrode and improved electron transfer. Under the optimum working conditions, the purposed biosensor showed a linear response to uric acid from 0.16 mM to 2.11 mM with a detection limit of 0.08 mM. The biosensor exhibited high selectivity, good repeatability, reproducibility, and stability. Moreover, the construction and renewal procedure of the purposed biosensor is simple and inexpensive.
TL;DR: In this article, the synthesis, characterization, and biological activities of a series of isoxazole linked benzimidazolones were described, and the structures of the target compounds and intermediates were characterized by 1H NMR, 13C NMR and HRMS.
Abstract: The present work describes the synthesis, characterization, and biological activities of a novel series of isoxazole linked benzimidazolones. The structures of the target compounds and intermediates were characterized by 1H NMR, 13C NMR, and HRMS. Furthermore, all isolated molecules were evaluated for their antioxidant and antimicrobial activities. Some of these compounds were found to be the most potent antimicrobial agents. Moreover, most compounds exhibited significant scavenging activity on DPPH assay. Besides, the compounds’ chemical reactivity was also assessed theoretically through Conceptual Density Functional Theory (CDFT) indices. The wB97X-D/cc-pVDZ calculation allowed to classify some derivatives as moderate-to-strong electrophiles and strong nucleophiles.
TL;DR: A mini-review of the click chemistry area applied to dendrimers synthesis as well as their catalytic applications in different chemical processes can be found in this paper, where the authors present the fundamental advances in click chemistry.
Abstract: Over the past decades, significant attempts have been devoted to the preparation of click dendrimers for using novel catalysts in chemical processes. The click dendrimers were synthesized using copper-catalyzed 1,3-dipolar cycloaddition reaction of an azide with a terminal alkyne to afford a 1,2,3-triazole. These materials have aroused great interest in several fields. Numerous click dendrimers were synthesized in almost good yields via the CuAAC "click" reaction and their catalytic applications have been investigated. This mini-review aims to present the fundamental advances in the click chemistry area applied to dendrimers synthesis as well as their catalytic applications in different chemical processes.
TL;DR: In this paper, a new type of prepreg technology has been established using a dual curing system consisting of 1,6-hexanediol diacrylate (HDDA) and frontally polymerisable components based on the epoxide resin.
Abstract: In this study, a new type of prepreg technology has been established using a dual curing system consisting of 1,6-hexanediol diacrylate (HDDA) and frontally polymerisable components based on the epoxide resin. The study of the polymerisation of HDDA revealed (tert-butylcyclohexyl)peroxydicarbonate (BCPC) as the most suitable radical thermal initiator. The presence of BCPC resulted in a fast radical polymerisation of HDDA and no cationic ring-opening reaction of the epoxy, which was observed by monitoring the double bond and epoxy group conversion in real time-NIR rheology measurement. The formed prepreg can subsequently be cured by radical-induced cationic frontal polymerisation of the epoxy resin. Effects of HDDA amount on the radical polymerisation, stiffness of the gel, frontal parameters and thermal mechanical properties of final polymers were investigated. With 10 wt% HDDA, the formed prepreg has very good storage stability, which was proved by monitoring the epoxy group conversion during 4 months of storage at 50 °C while still a stable front can be obtained. Furthermore, the RICFP-prepregs with different fibre contents were prepared and polymerised by RICFP. Then, a snowflake composite was successfully produced using RICFP-prepreg.
TL;DR: In this paper, the Vilsmeier-Haack reagent was applied to 1,3-benzo(naphtho)dioxin-4(1)-one for 5h.
Abstract: Polyfunctional derivatives of xanthenes and benzoxanthenes in the form of organic perchlorates have been obtained by the interaction of 1,3-benzo(naphtho)dioxin-4(1)-ones with the Vilsmeier-Haack reagent at 110 °C for 5 h. The rearrangement has occurred as an electrophilic triggered recyclization due to the geminal arrangement of oxygen atoms in the six-membered ring as well as the presence of a lactone group in the structure of the starting 1,3-benzo(naphtho)dioxin-4(1)-ones.
TL;DR: In this article, a glassy carbon electrode with Raspberry-like In3+/NiO hierarchical nanostructure was used for detecting allura red colorant, which was then characterized by techniques of energy-dispersive X-ray analysis, scanning electron microscopy, and Xray diffraction.
Abstract: The current study aimed to modify a glassy carbon electrode with raspberry-like In3+/NiO hierarchical nanostructure as a novel and highly sensitive electrochemical sensor for effectively detection of allura red colorant, which was then characterized by techniques of energy-dispersive X-ray analysis, scanning electron microscopy, and X-ray diffraction. Electrochemical impedance spectroscopy, cyclic voltammetry, differential pulse voltammetry, and chronoamperometry were employed to calculate the oxidation peak current of colorant, resulting in linear range of 0.01–700 µM (R2 = 0.9999) and limit of detection of 4.1 nM. The developed modifier was practically recruited for the detection of allura red in phosphate buffer solution (pH 4) as well as the real samples of soft drinks, the results of which successfully showed a high performance for the electrode.
TL;DR: In this article, triazolium Schiff bases (TSBs) were synthesized via a simple and high throughput process and applied as homogeneous catalysts for the C-C coupling of a variety of aryl ketones with aryls alcohols, from which significant reactivity was observed.
Abstract: New triazolium Schiff bases (TSBs) were synthesised via a simple and high throughput process. The new salts were successfully characterised. When reacted with Cu(CH3CN)4PF6, the TSB salts formed mononuclear triazole Schiff base copper(I) complexes and dinuclear complexes that were also characterised. The copper complexes were generated in situ (mixtures of TSB salts with Cu(CH3CN)4PF6) and applied as homogeneous catalysts for the C–C coupling of a variety of aryl ketones with aryl alcohols, from which significant reactivity was observed. Reaction conditions were optimised, and the results indicate that the catalyst systems are very robust. A catalyst concentration of 10 mol% efficiently and selectively catalysed the α-alkylation of methyl phenyl ketone and its derivatives to afford up to 94% yield of 1,3-diphenylpropan-1-one and its analogues. The process is adaptable with analogues of acetophenone and benzyl alcohol bearing various regulating substituents tolerated.
TL;DR: In this article, a series of bis(sulfanediyl)bis(tetrahydropyrimido[4,5-b]quinoline-4,6-diones) which are linked to benzene, pyridine, or thieno[4.5-d]thiophene cores were prepared via multicomponent reaction of bis (sulfaneyl))bis(6-aminopyrimidin-4(1H)-ones) with two equivalents of both dimedone and the appropriate aromatic aldehyde.
Abstract: A novel series of bis(sulfanediyl)bis(tetrahydropyrimido[4,5-b]quinoline-4,6-diones) which are linked to benzene, pyridine, or thieno[4,5-d]thiophene cores were prepared to via multicomponent reaction of bis(sulfanediyl))bis(6-aminopyrimidin-4(1H)-ones) with two equivalents of both dimedone and the appropriate aromatic aldehyde. The target molecules were alternatively prepared via the bis-alkylation reactions of the appropriate 5-aryl-2-thioxohexahydropyrimido[4,5-b]quinoline-4,6-dione with the corresponding dibromo compounds.
TL;DR: In this paper, the main challenge war focused on the detection of acetaminophen drug using a type of AlN nanocage sensor through density functional theory calculations, which enabled the adsorption of theacetaminophen greatly energetically desirable.
Abstract: The main challenge war focused on the detection of acetaminophen drug using a type of AlN nanocage sensor through density functional theory calculations. The interaction between acetaminophen drug and AlN nanocage has, therefore, been studied by DFT to explore a modern drug detection system. The acetaminophen molecule is bonded via its various sites such as the –OH, –C=O, –NH, and –CH3 group to the Al atom in the AlN nanocage. The AlN nanocage enables the adsorption of the acetaminophen greatly energetically desirable. The acetaminophen adsorbs through an electrostatic mechanism on the AlN nanocage. The acetaminophen dramatically decreases HOMO–LUMO and working function from 3.99 to 3.02 eV and 4.50 to 3.45 eV, leading to improved electrical conductivity and electron field emission, respectively. Thus, the AlN nanocage might be both the electronic and work function type sensor for acetaminophen detection. Moreover, our findings revealed that the AlN nanocage would selectively identify the acetaminophen molecule when environmental pollutants are present, such as methanol and so forth.
TL;DR: In this article, a cross-linked poly sulfonamide-melamine (PBBSM) has been successfully synthesized to stabilize bromine with high surface functional group density (6.6mmol Br+/g).
Abstract: A practical synthetic method for the synthesis of aryl bromide was developed through regioselective bromination of boronic acid in the presence of poly-N-bromosulfonamide-melamine (PBBSM). In this regard, a novel heterogeneous support, cross-linked poly sulfonamide-melamine, has been successfully synthesized to stabilize bromine with high surface functional group density (6.6 mmol Br+/g). The prepared reagent is a novel brominating reagent that combines the effective functions of N-bromosulfonamide, N-bromosulfonamide-melamine, and melamine groups. The structure of PBBSM was characterized using XRD, FT–IR, 1H NMR, TGA, FE-SEM, EDX, and TGA analysis.
TL;DR: In this article, a new series of 4,5-diphenylimidazole-acetamide-1,2,3-triazole hybrids as potent α-glucosidase inhibitors was designed and synthesized.
Abstract: Herein, a new series of 4,5-diphenylimidazole-acetamide-1,2,3-triazole hybrids as potent α-glucosidase inhibitors was designed and synthesized. All the synthesized compounds exhibited excellent inhibition potencies (IC50 values = 55.6–149.2 μM) against α-glucosidase when compared with the standard inhibitor acarbose (IC50 = 750.0 μM). Among the newly synthesized compounds, 4-methyl, 4-methoxy, and 2,3-dichloro derivatives exhibited the highest anti-α-glucosidase activities and were also non-cytotoxic against human normal dermal fibroblast cells. In silico druglikeness, ADME, and toxicity studies of these compounds were performed and obtained results were compared with acarbose. All the synthesized compounds were also inactive against α-amylase in comparison to acarbose. Kinetic study of the most potent compound, 4-methyl derivative, against α-glucosidase demonstrated that this compound is a competitive inhibitor. Furthermore, in silicoinduced fit docking and molecular dynamic studies were performed to further investigate the interaction, orientation, and conformation of these compounds over the active site of α-glycosidase.
TL;DR: In this paper, a new thiosemicarbazones were synthesized in an excellent yield reaction of indole derivatives with thio-thiazolidine groups and they were reacted with ethyl bromoacetate to produce original heterocyclic-substituted indole derivative possessing a 4-oxo-thiaolidine group.
Abstract: New thiosemicarbazones were synthesized in excellent yield reaction of indole derivatives with thiosemicarbazides. These thiosemicarbazones were reacted with ethyl bromoacetate to produce original heterocyclic-substituted indole derivatives possessing a 4-oxo-thiazolidine group. Analytical IR and NMR spectra and elemental analysis were performed to reveal their structures. The antimicrobial activity of all synthesized compounds was evaluated for antibacterial activity in vitro against Gram-positive and Gram-negative bacteria. Antibacterial screening data showed that two compounds demonstrated activity against Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa. These preliminary results indicate that some of these newly synthesized compounds show a promising antibacterial potency.
TL;DR: In this article, an expedient, straightforward, and efficient one-pot three-component synthesis of biologically relevant indole-substituted 4H-chromenes has been developed by the reaction of various indoles, malononitrile, and salicylaldehydes using a catalytic amount of ascorbic acid in aqueous ethanol.
Abstract: An expedient, straightforward, and efficient one-pot three-component synthesis of biologically relevant indole-substituted 4H-chromenes has been developed by the reaction of various indoles, malononitrile, and salicylaldehydes using a catalytic amount of ascorbic acid in aqueous ethanol at room temperature. The significant features of the developed protocol are the clean reaction profile, operational simplicity, non-hazardous experimental conditions, no column chromatographic purification, use of an inexpensive, commercially available, and non-toxic metal-free catalyst, accomplishment of good to excellent yields, and large-scale synthesis.
TL;DR: In this article, a new heterogeneous nanocatalyst containing Cu-dimethylglyoxime complex grafted to an MCM-41 matrix was synthesized and applied as a highly effective, green, thermally stable catalyst in the one-pot reductive cyclization of aromatic aldehydes with 2-aminobenzamide.
Abstract: A new heterogeneous nanocatalyst containing Cu–dimethylglyoxime complex grafted to an MCM-41 matrix was synthesized. This recoverable nanocomposite was applied as a highly effective, green, thermally stable catalyst in the one-pot reductive cyclization of aromatic aldehydes with 2-aminobenzamide. 2,3-Dihydroquinazolin-4(1H)-ones were obtained in 80–98% yield. The MCM-41-silylcyclopropyl-dimethylglyoxime-Cu heterogeneous nanocomposite was well identified using X‐ray diffraction, field emission scanning electron microscopy, Fourier transform infrared spectroscopy, energy‐dispersive X‐ray spectroscopy, Brunauer–Emmett–Teller technique, and thermogravimetric analysis. The eco-friendly nanocatalyst demonstrated excellent recyclability: it could be reused for at least six successive cycles without any notable decrease in its catalytic function.