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

A versatile, operationally simple and highly efficient protocol for the synthesis of highly functionalized piperidines have been developed by the three-component reaction of aromatic aldehydes, aromatic amines and b-ketoesters catalyzed by InBr3 in ethanol. Also, InBr3 is demonstrated to be an efficient catalyst for synthesis of benzo[a]pyrano[2,3-c] phenazines. The significant advantages of this protocol

Polycyclic aromatic hydrocarbons (PAHs), elemental carbon (EC), and organic carbon (OC) concentrations were investigated in five fractional rain samples collected in the high-altitude semirural site located at Black Sea Region in order to determine the dominant scavenging mechanism and source regions for these pollutants. The contribution of the secondary organic carbon (OCsec) to the OC concentration

It is well-known that the high-molecular-weight polycyclic aromatic hydrocarbons (HMW-PAHs) are difficult to degrade, and they can cause tremendous damaging effects in environment. In this article, a novel dibenz[a,h]anthracene (DBA)-degrading strain Amycolatopsis sp. Y1-2 was isolated and identified from the contaminated soils in the coal mining areas. The degradation of HMW-PAHs by strain Y1-2 could

(2020). A Novel Eco-Friendly Catalyst- and Solvent-Free Four-Component Synthesis of Benzo[a]furo[2,3-c]phenazines under Microwave Conditions. Polycyclic Aromatic Compounds: Vol. 40, No. 1, pp. 159-165.

Aqueous solution of boric acid, as an efficient and green catalytic system, was efficiently utilized tandem four-component condensation reaction of aryl aldehydes with ethyl acetoacetate, malononitrile, and hydrazine hydrate to give pyranopyrazole derivatives. By the reaction of boric acid with water, H+ was prepared and efficiently catalyzed the reaction under mild and green condition.

A plane cubic graph is called a (5,6,7)-fullerene if its faces are only composed of pentagons, hexagons and heptagons. In this paper, we completely characterize the cyclic edge-connectivity of the (5,6,7)-fullerene. Furthermore, we obtain that the anti-Kekulé number of the (5,6,7)-fullerene is 4 when the cyclic edge-connectivity is larger then three. In particular, we obtain some properties with respect

The present study was designed to isolate petroleum hydrocarbon degrading bacterial strains from crude oil contaminated sites near the ARAMCO (Jazan, Saudi Arabia). The main aim was to identify a novel microbial comminutes that possess high degradation potential under variant environmental conditions. Total 43 crude oil degrading bacterial consortiums were isolated and six strains were selected based

A clean and efficient method has been developed for the synthesis 1, 3, 5-triaryl-2-pyrazoline derivatives via cyclocondensation of chalcone and phenyl hydrazine using TS-1 as solid heterogeneous reusable catalyst. The catalyst was synthesized by the hydrothermal method under autogenous pressure. The prepared catalyst was characterized by Powder-X-ray diffraction (XRD), Fourier-transform infrared spectroscopy

This article describes the preparation of the polysulfone microcapsule (CPM) containing both 5,11,17,23-tetrakis[(dimethylamine)methyl]-25,26,27,28-tetrahydroxy calix[4]arene and magnetic nanoparticles. The structure of CPM was characterized using Fourier transform infrared spectroscopy, transmission electron microscopy, thermo gravimetric analysis and elemental analysis techniques. Moreover, heavy

The general multicomponent approach was found to the medicinally relevant 5-aryl-chromeno[2,3-b]pyridine scaffold. Triethylamine catalyzed multicomponent reaction of benzaldehydes, 2-aminoprop-1-ene-1,1,3-tricarbonitrile and dimedone in a minimal amount of propanol results in efficient formation of substituted 2,4-diamino-8,8-dimethyl-6-oxo-5-aryl-6,7,8,9-tetrahydro-5H-chromeno[2,3-b]pyridine-3-carbonitriles

Triethylammonium hydrogen sulfate [Et3NH][HSO4] has been studied to be an efficient ionic liquid catalyst for the synthesis of biologically potent coumarin derivatives. Thus, 4-substituted coumarins have been synthesized through the Pechmann condensation of phenols with β-ketoesters in the presence of [Et3NH][HSO4]. Also, 4-hydroxycoumarin was reacted with various aldehydes using this catalyst to obtain

An efficient synthesis of potentially carcinogenic dibenzo[a,l]tetracene 1 and dibenzo[a,j]tetracene 2 has been developed and the synthetic standards were used to establish their environmental presence. The synthesis involves Diels–Alder reaction of in situ generated ortho-quinodimethane with phenanthrene-1,4-dione, followed by reductive aromatization as key steps. This synthetic strategy resulted

Magnetic iron(III) oxide nanoparticles (Fe3O4 MNPs) have been used as a readily available, highly efficient, and recyclable catalyst for the green and stereoselective synthesis of novel functionalized 3-indol-3-yl-oxoindolin-3-yl-3-acrylates from a one-pot, two-step, four-component reaction of arylamines, alkyl propiolates, isatin, and indole in EtOH under reflux conditions in good yields. The domino

This study identified concentrations, molecular distributions, toxicities, and sources of polycylic aromatic hydrocarbons (PAHs) in street dust from different land use of Bushehr city in southwest of Iran. For this purpose, 19 street dust samples were collected from different land use of the city and analyzed using GC–MS. Σ16PAHs (16 USEPA priority PAHs) concentrations ranged between 73.6 and 9491 µg

The distribution of selected polycyclic aromatic hydrocarbons (PAHs) in mussels (Mytilus galloprovincialis) in the coast of the Turkish Straits System (TSS) was determined using high-performance liquid chromatography (HPLC). According to the results, the most important contributors to PAH concentrations in mussels were chrysene, fluoranthene and benzo(a)pyrene (BaP). Due to its carcinogenic character

A device to extract and collect polycyclic aromatic hydrocarbons (PAHs) released from aqueous solutions at different temperatures (13, 50, 80 and 95°C) was constructed. Acenaphthylene (Acy), fluorene (Flu), phenanthrene (Phe), pyrene (Pyr) and benzo(k)fluoranthene B(k)F were used in this study. The PAHs were dragged off from the samples at sub-boiling temperatures by a heated argon flow. The released

A simple, highly efficient and green three-component condensation for synthesis of 2-substituted-3-(2-oxoalkyl)isoindolin-1-one derivatives from phthalaldehydic acid, primary amine, and ketone in the presence thiamine hydrochloride (VB1) as catalyst in water has been developed. Their activities have also shown inhibition activity against HeLa, A549, and Hep2 cancer cell lines. The results showed that

The current study was carried out to assess and understand potential health risk and to examine the impact of 16 polycyclic aromatic hydrocarbons (PAHs) in Indian tandoori and tawa breads served in 8 different profile restaurants of Dhanbad city. Total PAH concentration in tandoori bread ranged between 113.36 and 211.19 µg/kg and for tawa bread between 59.64 and 77.12 µg/kg. PAHs with 4 and 5 rings

In this research, a highly efficient method is described for the synthesis of dihydropyrano[3,2-c]chromenes and biscoumarins using ionic liquids (ILs) supported on nano-FeNi3 as catalyst. The heterogeneous catalyst was fully characterized by X-ray diffraction (XRD), SEM, FT-IR, and vibrating sample magnetometer (VSM).

Coke plant workers' exposure to polycyclic aromatic hydrocarbons (PAHs) is monitored with the use of different biomarkers. The variations in genes coding enzymes involved in the first and the second phase of detoxification process can influence PAHs metabolites' production. While 1-hydroxypyrene urinary excretion was extensively examined in relationship to different gene variants, 3-hydroxybenzo[a]pyrene

A graph in which atoms are taken as vertices and bonds can be shown by edges is called a molecular graph. For such graphs we can find the indices showing their bioactivity as well as their physio-chemical properties. Industry is flourishing nowadays just because of the interdisciplinary study of different subjects. This gives us a way to understand the application of different subjects. Chemical graph

PM2.5 is widely regarded as a major air pollutant due to its adverse health impacts and intimate relationship with the climate system. This study aims to characterize the chemical components (e.g., organic carbon (OC), elemental carbon (EC), water soluble ionic species (WSIS) and polycyclic aromatic hydrocarbons (PAHs) in PM2.5 collected at Doi–Inthanon in Chiang-Mai, Thailand, the highest mountain

Abstract A non-targeted method for analyzing petroleum hydrocarbons in soil was established by extracting a wide range of PAC compounds using a model system. Here, sand was spiked with a heavy crude oil, which simulated a hydrocarbon contaminated soil of low soil organic matter (SOM). Soxhlet and supercritical fluid extraction (SFE) was optimized for PAXHs analysis in soil. A concept of using multidimensional

A convenient, commercial and simple process was developed for the synthesis of 1-[2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]-2-(methylselanyl)ethanol. 2-(2,7-dichloro-9H-fluoren-4-yl)oxirane was converted to 1-(2,7-dichloro-9H-fluoren-4-yl)-2-(methylselanyl)ethanol in presence of dimethyl diselenide and sodium borohydride and consequently converted to 1-[2,7-dichloro-9-(4-chlorobenzylid

Polycyclic aromatic hydrocarbons (PAHs) were carefully analyzed from terrestrial soils collected at numerous sites in Pakistan and King George Island (sub-Antarctica) and compared with other data around the world. The mean concentrations of An, Pyr, B[a]A, Chry, B[b + k]F, B[a]P, Ind, D[a,h]A, and B[g,h,i]P of world terrestrial soils were significantly (p < 0.05) greater than those of samples collected

In this study, an efficient gas chromatography with mass-spectrometric detector (GC/MS) method has been developed for extraction and quantitation of 16 carcinogenic polycyclic aromatic hydrocarbons PAH in frying edible oil. The method showed satisfactory linearity (R2 > 0.995) over the range (1.00–100.0 µg kg−1), the limits of detection were 0.0700 to 1.26 µg kg−1, limits of quantitation ranged from

A nanostructure belong to a significant and an extensively investigated compounds in chemical science. It has been derived through engineering mechanism at the molecular scale. The most important of these new materials are carbon nanotubes. Carbon nanosheets are 2-dimensional lattices of carbon nanotubes. To compute and study topological indices of nanostructures are a respected problem in nanotechnology

By introducing phenyl, 1-naphtyl, 2-thienyl, 2-furanyl and 3-pyridyl rings into 4,7-di(thiophene-2-yl)-benzo[c][2,1,5]thiadiazole structure 2, five new asymmetric derivatives were prepared. For these compounds, HOMO/LUMO and gap energy levels were estimated by UV-Vis and cyclic voltammetry experiments in aprotic solvents. The results showed significant effects of aryl groups on gap data, were this

The detection of an energetic molecule TNT is an important issue especially in military applications and as a result many of the studies focused on this subject in the literature. In this study, except from the literature, the possible interactions between TNT and polycyclic aromatic chiral compound (R)-Hexahelicene were examined theoretically in terms of non-covalent π-π interactions, theoretically