An efficient procedure has been developed for the synthesis of bis(indolyl)methanes (3a-m) from condensation of indole (1) and various substituted aromatic aldehydes (2a-m) is described. The aromatic electrophilic substitution reactions of indole (1) with and various substituted aromatic aldehydes (2a-m) are achieved in solvent- and catalyst free condition using irradiation with 150W tungsten lamp

In this study, a total of 17 piece 2,5-disubstituted benzoxazole derivatives were synthesized, 2 of which were not original, their antimicrobial activities were determined using microdilution method and their in vitro cytotoxic activities were investigated on MCF-7 and A549 cells by MTT test. When the activity results are examined, although the antibacterial effects of benzoxazole derivatives are weaker

The reaction of pentachloropyridine with indoles and bis(indolyl)methanes (BIMs) were investigated. Indoles in basic medium exclusively react with pentachloropyridine to give the corresponding N-perhalopyridine substituted indoles. Furthermore, BIMs in reaction with pentachloropyridine gave N-perfluoropyridinated BIMs and N,N´-bis(perfluoropyridyl) bis(indolyl)methane derivatives, as major and minor

Benzyl naphthalenes are versatile compounds having multiple applications in dyes, fine chemicals, and pharmaceuticals etc. Herein, we present benzylation of naphthalene with benzyl chloride using a chloroaluminate ionic liquid which we have reported recently. The catalyst is highly active, selective and required in very low quantity i.e., 0.5% w/w to drive the reaction. The reaction was carried out

One-pot synthesis of quinolinyl amine nitriles, 8, was accounted from quinoline-3-carbaldehyde, 7, and amines (benzylic, aromatic, aliphatic, or hetero-aromatic) using Zn(CN)2/trifluoroethanol (TFE) system, an eco-friendly, and ambient protocol. Antidiabetic, anti-inflammatory, antioxidant, and molecular docking studies of 8a–l revealed moderate-to-good activity.

Numerous research suggest that the structural properties of chemical substances, medicines and their molecular structures have a clear inherent relationship. Among the different proposed systems, coupling a bioactive compound to a biocompatible polymer offers numerous points of interest, for example, better medication solubilization, better adjustment, explicit restriction and controlled discharge

A series of coumarino pyrazolyl thiazolidinone derivatives (4a–k) have been synthesized via a one pot multicomponent reaction. The reaction of coumarino pyrazolaldehyde or 1-phenyl-3-(2H-1-benzopyran-2-one-3yl)-4-formylpyrazoles (1), thiosemicarbazide (2) and dialkylacetylene dicarboxylates (3) in presence of ethanol under reflux conditions gave the title compounds with good to excellent yields. All

This study investigated the human health risk assessment of polycyclic aromatic hydrocarbons (PAHs) (naphthalene, fluorene, phenanthrene, anthracene, pyrene, benzo(a)anthracene, chrycene, and benzo(a)pyrene) from the consumption of smoked fish (Coral, Telapia, Shrimp, and Rupchanda) and smoked meat (Beef Shikh Kabab, Mutton Shikh Kabab, Kashmiri Kabab, and Chicken Grill) highly consumed by Bangladeshi

A novel series of Schiff base indolyl-pyridine derivatives containing, thiazolidinone and azetidinone moieties were synthesized. The structure of these recently integrated compounds was asserted by their IR, 1H, 13C NMR, mass spectral data as well as elemental analysis. These compounds were likewise evaluated for in vitro antimicrobial, antioxidant, anti-TB and anticancer activities. The structure-activity

Sierpinski networks constitute an extensively studied class of graphs of fractal nature applicable in topology, mathematics of Tower of Hanoi, computer science, and Chemical graph theory. Recently the properties of Sierpinski networks have been studied like physico-chemical properties, thermodynamic properties, chemical activity, biological activity, metric dimension and degree based topological indices

The simple pseudo four-component reaction of 2,7-naphthalenediol, tow molecules of aldehydes and ammonum carboxylates to produce a series of N-acylated and non-acylated highly substituted piperidine derivatives has been carried out in the presence of choline chloride/urea at 80 °C. One-pot reaction, high efficiency, appropriate reaction time, and easy purification of products by simple recrystallization

A vertex-degree-based (VDB, for short) topological index φ is defined for a graph G with n vertices as φ(G)=∑1≤i≤j≤n−1mi,j(G)φ(i,j), where mi,j=mi,j(G) is the number of edges of G joining a vertex of degree i with a vertex of degree j, and {φ(i,j)} is a set of real numbers. In this paper, we present a general formula to calculate VDB topological indices of graphene systems. As a byproduct, we solve

As a crucial tool for exploring and characterizing the structure properties of the molecular graphs, spectrum analysis and computation are flourishing in recent year. Let Ln be obtained from the transformation of the graph Ln6,4, which obtained by attaching crossed four-membered rings to the terminal of crossed phenylenes. In this article, we first determine the (normalized) Laplacian spectra of Ln

In this examination, we report a combined experimental and theoretical study on molecular structure and vibrational spectra of 4-amino-3-phenylbutanoic acid. Vibrational spectra were analyzed on the basis of potential energy distribution (PED) of each vibrational mode, which provides quantitative as well as qualitative interpretation of IR and Raman spectra. The theoretical UV-visible range of the

A naturally biodegradable, reusable, and eco-safe catalyst, i.e., uric acid was developed and exploited for the green, facile and economical one-pot synthesis of pyran annulated heterocyclic systems from starting materials. This method gives an insight into the credibility of pathway followed by the aforementioned green and reusable catalyst in aiding the heterocyclic compounds formation. High atom

For the first time, a new acidic imidazolium-based ionic liquid supported on magnetic nanoparticles (MNP@PEG-ImHSO4) was synthesized and characterized by Fourier transform infrared spectroscopy (FT-IR), field-emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), energy-dispersive X-ray (EDAX), thermogravimetric analysis (TGA), and X-ray diffraction (XRD) techniques

The new compounds 6-methyl-8-morpholino-2H pyrimido[5’,4’:5,6][1,4]thiazino[3,2e][1,2,4]triazin-3(5H)-one (3a) and 6-methyl-8-(piperidin-1-yl)-2Hpyrimido[5’,4’:5,6][1,4]thiazino[3,2-e][1,2,4]triazin-3(5H)-one (3b) were obtained from cyclocondensation of 6-bromo-1,2,4-triazine-3,5(2H,4H)-dione (1) with appropriate 5-amino-6methylpyrimidine-4-thiol (2a, b) in dimethylformamide and in the presence of

In this study, taurine/choline chloride deep eutectic solvent has been synthesized, characterized and used as an eco-compatible catalyst in the synthesis of pyrano[2,3-d]pyrimidinone (thione), hexahydroquinoline, and biscoumarin derivatives. The significant features of the present method are biodegradability, cost efficiency, easy preparation of the catalyst, short reaction times, production of target

Smoked cheeses are especially appreciated by consumers because of the unique taste and smell. The smoke used in this process is composed of a few hundred components, both favorable influencing the smoked product quality and neutral for consumers’ health, and also the ones which are questionable because of health aspects, for example, polycyclic aromatic hydrocarbons (PAHs). Even though such substances

This study reports the synthesis of some new bicyclic and tricyclic heterocyclic macromolecules incorporated pyrano[3,2-c]pyridine, 1,6-naphthyridine, and pyrimidonaphthyridine rings starting from new dienones, N-benzyl-3,5-bis(arylidene)-piperidin-4-ones. The chemistry involved the cyclocondensation of dienones with malononitrile in the presence of piperidine yielded the target 2-aminopyranopyridine-3-carbonitriles

The present work reports ultrasound assisted and aluminized polyborate prompted green and efficient protocol for one pot four component Hantzsch condensation of aromatic aldehydes, dimedone, ethylcyanoacetate, and ammonium acetate to give hexahydroquinoline derivatives in ethanol:water (1:1) at room temperature. The key features of this protocol are sonochemical synthesis, environmental benign, short

One-pot synthesis of 3,4-dihydropyrimidinone/thione and 3,4,5,6-tetrahydropyrimidinone/thione derivatives was successfully performed in high yields through the reaction of aromatic aldehyde, β-dicarbonyl, urea/thiourea using Fe3O4@C@OSO3H nano-catalyst under solvent-free conditions at 80 °C. Fe3O4@C@OSO3H was introduced as an efficient magnetic nano-catalyst in Biginelli condensation with powerful

Antimicrobial chemotherapy is the clinical application of antimicrobial agents to treat infectious disease. A new series of 3,6-disubstituted- and 2,3,6-trisubstitutedquinoxalines have been synthesized by appropriate methods. All test compounds have been evaluated for in vitro antimicrobial activity. Further investigation using MIC experiment was performed; It appears that, compound 14c has higher

Synthesis of 2-substituted benzimidazole derivatives using reactants aldehyde, o-phenylenediamine, and sodium hypophosphite as a catalyst using microwave irradiation. An efficient and green synthesis carried out using sodium hypophosphite gives high yield in shorts reaction time. This route provides key advantages such as high yield, clean, easy work-up, readily available catalyst, and good yield.

Immobilization of metal ions on the inorganic supports has found many interesting biological, industrial, and catalysis applications. In this work, a novel organic–inorganic hybrid nanomaterial (nano-Fe3O4@TiO2-Pr-2AB@Cu) using simple chemical co-precipitation method, functionalization and subsequent incorporation of copper ion was prepared. The structure of hybrid nanomaterial was characterized by

A pyridine-pyrazoline (2-(3-(pyridin-2-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzo[d]thiazole) (PTPB) has been designed and synthesized by the reaction of chalcone with 2-hydrazinylbenzo[d]thiazole. PTPB was further conformed by the FT-IR, 1H-NMR and 13 F. Ran, Y. Liu, D. Zhang, M. Liu, and G. Zhao, “Discovery of Novel Pyrazole Derivatives as Potential Anticancer Agents in MCL

We explored the green and eco-friendly synthesis of Ca(OH)2 and K-Ca(OH)2 catalysts from chicken eggshell waste. The highly efficient synthesized catalysts were characterized by means of UV, FTIR, XRD, SEM, and EDS techniques for their optical, structural, morphological, and compositional study, respectively. The potassium impregnated (K-Ca(OH)2) catalyst was synthesized from Ca(OH)2. The K-Ca(OH)2

In this work, a novel series of phthalimide-4,5-dihydrothiazole-amide derivatives 5a–f have been synthesized and evaluated for their anti-epileptic activities against pentylenetetrazole (PTZ)-induced seizure in mice. Among the synthesized compounds, the most potent was 4-chloro derivative 5b with zero mortality in PTZ test. Molecular docking was performed to investigate the modes of interactions between

Valacyclovir HCl hydrate, acyclovir and ganciclovir are three commonly used anti viral drugs which are guanidine derivatives with ether side chain and all of them act by interfering with the viral DNA production. This manuscript tries to examine the structure and properties of these three purine based compounds using electronic structure methods and molecular mechanics. Density functional theory was

CeO2/CuO@nitrogen graphene quantum dots@NH2 nanocomposite has been used as an efficient catalyst for the preparation of benzodiazepines by multi-component reactions of 1,2-phenylenediamine with dimedone and aromatic aldehydes or Meldrum’s acid and isocyanides. The best results were obtained in the presence of 5 mg of CeO2/CuO@N-GQDs@NH2 at room temperature. The catalyst has been characterized by FT-IR

In the present study, we have designed a novel series of pyrazolyl-1,3,4-thiadiazole analogues by accommodating 1,3,4-thiadiazole ring at C – 4 of pyrazole ring with and without an amide linkage; 5-methyl-1,3-diphenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide and 2-(5-methyl-1,3-diphenyl-1H-pyrazol-4-yl)-5-phenyl-1,3,4-thiadiazole respectively. We have designed this class of heterocycles

Abstract The novel coronavirus disease 2019 (COVID-19) emerged in Wuhan, China, and has spread rapidly to nearly every part of the world. Unfortunately, no drug or vaccine has been accepted for the treatment of this pandemic. Researchers have established the efficacy of some existing antiviral drugs to control COVID-19 in vitro. Some of them are remdesivir (GS-5734), chloroquine, hydroxychloroquine

A mild, efficient and novel pseudo three-component condensation reaction approach has been designed for straightforward synthesis of 3,3’-bis-substitued-2-oxindole derivatives. The products were prepared through one-pot and pseudo three-component condensation reactions of anilinolactones, isatin derivatives, and cyclohexyl isocyanide in acetonitrile solvent. The key features of this approach include

In this article, the efficiency of all the well-known valency-based molecular descriptors has been measured using certain comparative testing. Importantly, we use a computational technique for hexagonal systems to generate regression models to determine the correlation of valency-based molecular descriptors with the π-electronic energies for polycyclic aromatic hydrocarbons. The study implicates some

Let G be a molecular graph with n vertices, m edges and G(L) be a line graph. Both G and L can be represented by their adjacency matrices A and E, respectively. The eigenvalues of G and L are denoted by, λ1⩾λ2⩾…⩾λn and γ1⩾γ2⩾…⩾γn, respectively. The Estrada index A and L are defined as EE(G)=∑i=1neλi and EE(L)=∑i=1neγi. In this article, we present some new lower and upper bounds for the Estrada index

A greener, scalable and mild mechanochemical protocol has been developed using readily available aromatic aldehydes and o-phenylenediamine in the presence of urea nitrate catalyst to afford 1,2-disubstituted benzimidazoles in few seconds. The highly efficient urea nitrate catalyzed synthesis proceeded via carbonyl activation-cyclization-atmospheric oxidation pathway. The method involved short reaction

A series of xanthenediones, 3 were synthesized from benzyl alcohols, 1 via TEMPO/CuCl2 catalyzed aerobic oxidation, and sequential cyclization with cyclohexane-1,3-dicarbonyl compounds has been achieved. Similarly, the acridine-diones, 5 were obtained using a similar strategy from various benzyl alcohols. The strategy offers a simple experimental procedure, ease of access, within short reaction period

A crystalline sample of multipotent molecule “2,6-di-tert-butyl-p-cresol” (DBPC) was characterized by FT-IR, FT-Raman and its spectroscopic signatures were analyzed using density functional theory (DFT) computations. The weaker intermolecular interactions such as π-π, alkyl-alkyl, π-alkyl in the extended molecular framework were analyzed by Quantum topological atoms in molecule approach. The conformational

An environment-friendly efficient one-pot, multicomponent condensation of different aldehydes and amines with dialkyl acetylenedicarboxylates, for the synthesis of polysubstituted pyrrol-2-ones and furan-2-ones is disclosed. Key features of this methodology is the use of Potash Alum (K [Al(SO4)2].12H2O) as an eco-friendly, economical and reusable solid catalyst. Use of inexpensive reagents, mild reaction

Synthesized N-(7-R)-2-oxa-8-azabicyclo[4.2.0]octan-8-yl)isonicotinamide derivatives (4a-n) and N-(2,4-dioxo-3-oxa-6-azabicyclo[3.2.0]heptan-6-yl)isonicotinamide derivatives (5a-m) were screened for biologically activity. Both azetidine derivatives (4a-n) and (5a-m) were screened for antibacterial activity by ‘Disk Diffusion method’ using Escherichia coli (ATCC 25922), Pseudomonas aeruginosa (ATCC 27853)

An eco-safe synthetic route for convenient one-pot synthesizing 1H-pyrazolo[1,2-b] phthalazine-5,10-dione derivatives through Knoevenagel-Michael cyclocondensation is reported in carboxymethyl cellulose (CMC) based on green chemistry principles. The prominent benefits include use of recyclable green catalyst, commercially accessible inexpensive starting materials, operational simplicity, non-hazardous

In a molecular graph, molecules are associated with some numerical values these values are known as topological indices. From the M-polynomial of molecular structure we can derive degree base topological indices. We can derived chemical and physical properties of chemical compound from the topological indices. To find the strain energy, melting point, boiling point, distortion and stability of chemical

Agricultural products are consumed as major staple foods; these are the main factors responsible for polycyclic aromatic hydrocarbon (PAH) exposure to humans. We analyzed the concentrations of eight PAHs (PAH8) in commonly consumed 359 agricultural samples that are commonly consumed in Republic of Korea. These food samples were divided into four groups (fatty-solid, fatty-liquid, nonfatty-solid, and

An efficient catalytic system comprising of Pd2dba3/P(t-Bu)3H.BF4/Cy2NMe –for the Heck coupling in the synthesis of 3-alkenyl isochromen-1-ones, 3 has been developed. Air stable alkyl phosphonium salt, [(t-Bu)3Ph]BF4 was found to be vital for the activation of 3- chloroisochromen-1-ones, 1 in regio-selective Heck coupling reactions. The technique has additionally been reached out to typharin, penicilisorin

5-Amino-1-phenyl-1H-pyrazole-4-carbohydraizde(1) was used as a key to synthesize new imidazopyrazol-5(1H)-one 5, pyrazolopyrimidines 7 and 9. Furthermore, imidazopyrazoles 13, 15, pyrazolopyridine 16 and pyrazolopyrazolopyridopyrimidine 17 were prepared from pyrazoles 10 and 11. The structure of the new compounds was confirmed by spectral data as well as elemental analysis. Some compounds were selected

Fe3O4@nano-cellulose/Sb(V) as a bio-based magnetic nano-catalyst was synthesized simply through in situ co-precipitation of Fe3+ and Fe2+ ions with NH4OH in an aqueous suspension of nano-cellulose and then treatment of resulted Fe3O4@nano-cellulose with antimony pentachloride in chloroform solution. The structure of this novel nano-catalyst was recognized by several analysis methods such as Fourier

An eco-compatible, facile and clean strategy for the synthesis of 1, 4-dihydropyridine (1, 4-DHP) derivatives has been reported through one pot multi-component Hantzsch reaction using glycerol as a promoting medium. A nontoxic and cheap by-product of biodiesel industry i.e., glycerol has been utilized as a reaction condition in our protocol. The reported protocol offers a greener, economical and expeditious

A new 1,3-distal diphenyl(4-piperidin)methanol-appended calix[4]arene derivative 3 has been successfully synthesized and characterized using FTIR, NMR and elemental analysis techniques. Synthesized 1,3-distal diphenyl(4-piperidin)methanol-appended calix[4]arene derivative 3 has been then grafted onto [3-(2,3-epoxypropoxy)-propyl]-trimethoxysilane-modified Fe3O4 magnetic nanoparticles to produce 1,3-distal

In this study, triazoloquinazolinone and benzimidazoquinazolinone derivatives have been synthesized via a suitable and efficient procedure using one-pot multicomponent reactions of 3-amino-1,2,4-triazole or 2-aminobenzimidazole, dimedone and aromatic aldehydes in the presence of TiO2@ILs as an efficient nanocatalyst. In the presented approach all of the products were prepared with good to excellent

The atom-bond connectivity (ABC) index and geometric-arithmetic (GA) index are two well-studied topological indices and found to be useful tools in QSPR and QSAR investigations. We have compared the excepted values of ABC and GA indices in random spiro chains. In this paper, we further establish simple explicit formulae for the expected values of ABC and GA indices in random polyphenyl chains which

Naphthalene is a simple polycyclic aromatic hydrocarbon (PAH) regarded as a common environmental pollutant. A total number of 16 bacterial isolates obtained from various petroleum contaminated sites of Gwalior (MP), India were screened for their naphthalene degradation potential. Enrichment method was used for the isolation of bacteria by amending the medium with 100 mg l−1 naphthalene dissolved in

In the presence of heterogeneous catalyst Montmorillonite KSF (M-KSF) 2-chloro-3-formyl quinolines, 1 were successfully converted into regioselective 3-(quinolin-3-yl)pentane-1,5-diones, 3. A one-pot sequential reaction (aldol-condensation-Michael addition) of distinct acetophenones, 2 was efficient in an aqueous medium.

Hydroxy- and methoxy-substituted inorganic receptors [Ru(bpy)2(4-(2-((4-(1H-imidazo-[4,5-f][1,10]phenanthrolin-2yl)benzyl)amino)ethyl)benzene-1,2-diol)](ClO4)2, Ru1 and [Ru (bpy)2(N-(4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzyl)-1-(3,4,5-trimethoxybenzyl- amine)](ClO4)2, Ru2 were designed and synthesized for the detection of Ag+ and CN− ions in aqueous medium with their dual capability of selectivities

In this study, we report a mild and efficient one-pot synthesis of 1,4,5-trisubstituted 1,2,3-triazoles via a three-component reaction of aryl boronic acids with sodium azide and active methylene compounds under ball-milling condition. In order to determine optimized reaction conditions, several grinding auxiliaries (basic, neutral and acidic alumina, silica gel, K10 and KSF), bases (DBU, DABCO, piperidine

The aim of this study was to analyze the effect of the acute exposition of polycyclic aromatic hydrocarbons (PAHs) in four different concentrations (4.37, 8.73, 17.46, 34.95 µg L−1) in Gambusia yucatana, an endemic fish of the Yucatán Peninsula by the characterization of the biomarkers activities: EROD, GST, TBARS, SOD, CAT, and GPx on liver; and AChE on brain. EROD and GST activities increased 292%

PM2.5-bound polycyclic aromatic hydrocarbons (PAHs) with adverse effect on human and ecosystem health is of concern worldwide. In this study, they were measured in summer and winter at an urban site in Chongqing, a megacity of southwest China to investigate their potential sources, to evaluate the inhalation cancer risks and to identify the dominant source responsible for health risk. The mean concentration

This work presents a new catalytic application of porous poly-melamine-formaldehyde (mPMF) for the efficient synthesis of new dihydro-[1,2,4]triazolo[1,5-a]pyrimidines. According to the principals of green chemistry, the reaction was performed by the planetary ball milling process at ambient and neat conditions. The heterogeneous catalyst could be reused up to five runs with no reducing of catalytic

The aim of this work is to investigate the structural and chemical behavior of the novel N4,N4′-dimethyl-[1,1′-biphenyl]-3,3′,4,4′-tetraamine (NNDMTA) compound using experimental and computational method. The synthesized compound has been characterized by FT-IR, NMR and UV-Visible spectroscopy method. The geometry structure was optimized by means of on density functional theory (DFT) and time depended

The present study was undertaken to examine the effect of a short message-based (SMS) nutrition education intervention on the employees’ knowledge and practice in terms of adopting the methods of inhibition of the formation of Polycyclic Aromatic Hydrocarbons (PAHs) in the cooked meat. The quasi-experimental study was conducted among 128 employees at Iran University of Medical Sciences, Tehran, Iran

In this study, an efficient and magnetically recoverable catalyst consisting of 6-methylguanamine supported on CoFe2O4 nanoparticles for the preparation of isoxazol-5(4H)-one derivatives has been synthesized. Different physicochemical methods such as Fourier transform infrared (FT-IR), X-ray powder diffraction (XRD), and field emission scanning electron microscopy (FE-SEM) were used to characterize