Abstract New strategy for the synthesis of 2-(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)acetonitrile through a molecular linking with pyridopyrimidine, pyrazolopyridine, and pyranonapthyridine derivatives. The newly synthesized compounds were characterized on the basis of spectral (FT-IR, 1H, 13C NMR, Mass spectral) analyses and further screened for their antimicrobial, antioxidant, and

Abstract 1,3-Bis-3-(4-chlorophenyl)-2,3-dihydroquinazolin-4(1H)-on-2-thioxopropane (C), a quinazoline derivative was synthesized and well-characterized in order to evaluate its potential to act as VEGFR-2 and Aurora kinase inhibitor. 1H NMR, elemental analysis and FT-IR confirmed the structure of the synthesized compound (C). Since, VEGFR-2 plays a crucial role in angiogenesis, it is hence a significant

Abstract Phytochemical investigation of a new plant, Capparis dongvanensis (Sy, B. H. Quang & D. V. Hai) of the Capparaceae family was carried out and identified two new polycyclic compounds and twelve known compounds. Among them, compounds 3 and 7 are two new polycyclic compounds, while twelve known compounds are stigmasterol (1), β-sitosterol (2), nonadecan-1-ol (4), nonacosan-1-ol (5), nonadecyl

Abstract The preparation of pyrazinoquinazoline derivatives are performed in high yields by four component reactions of isoquinolin-3-ylmethanamine, α-haloketones, activated acetylenic compounds and ethyl bromoacetate in ionic liquid as green media at room temperature. In addition, due to having quinazoline core in the synthesized compounds, evaluation of antioxidant activity was performed by radical

Abstract The title polyaromatic chalcone compound (PyMQ-chalcone) was sequentially synthesized via a three steps synthetic procedure and well characterized. Structural illumination was achieved by 1D and 2D NMR techniques, FTIR, LCMS/MS, and SEM. Photophysical investigations showed that the emission capacity remarkably increased by aggregation although target compound exhibited lower emission at solution

Abstract N'-(2-((4-(Benzo[d][1, 3]dioxol-5-yl)-3-cyano-6-(naphthalen-2-yl)-pyridin-2-yl)oxy)- acetyl)benzohydrazide (6) and hydrazide derivatives (7–10) were synthesized via reaction of 3-cyano-pyridinacetohydrazide (5) with benzoylchloride and the appropriate aldehyde, respectively. Also, 4-(Benzo[d][1, 3]dioxol-5-yl)-2-(2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethoxy)-6-(naphthalen-2-yl)

Abstract In this paper, a three-dimensional quantitative structure-activity relationship (3D-QSAR) namely CoMFA and CoMSIA has been carried out on a series (43 compounds) of capsid assembly inhibitors on N-phenyl-3-sulfamoyl-benzamide-based. The statistical parameters from the models (CoMFA: r2 = 0.998, q2 = 0.625, r2 pred = 0.837; CoMSIA: r2 = 0.987, q2 = 0.645, r2 pred = 0.698) indicate that the

Abstract Naproxen is a well-known nonsteroidal anti-inflammatory drug belonging to aryl propanoic acid family; it nonselectively inhibits major cyclo-oxygenase (COX) isoforms causing GIT irritation as a side effect. A series of Naproxen analogs with modifiable carboxylic acid functionality (2–14) have been synthesized aiming to retain anti-inflammatory activity with reduced ulcerogenic effect. Docking

Abstract Cyclodextrins (α-CD and β-CD) effects on three hydroxycinnamic acids (2-hydroxy, 3-hydroxy and 4-hydroxy) were examined and compared with cinnamic acid (CA) by UV–visible, emission and PM3 studies. Two emission peaks were observed for CA molecules in water and in CDs solution. The shorter wavelength (SW) emission peak was appeared around 300 nm from the locally excited state and the longer

Abstract Magnetized distilled water (MDW), as a green solvent, was used in the Hantzsch four-component synthesis of polyhydroquinolines and the three-component synthesis of 1,4-dihydropyridine condensation reactions of 1,3-cyclohexanedione/dimedone, ethyl acetoacetate/malononitrile, aldehydes, and ammonium acetate under catalyst-free conditions. The developed synthetic technique offers numerous advantages

Abstract A highly efficient green protocol is described for the development of novel benzo[4,5]thiazolo[3,2-a]pyrimidine analogues through the one-pot fusion of the 2-amino-benzothiazole with different chosen aldehydes and active methylene compounds, in ethanol medium under ultrasound irradiation conditions by using ammonium acetate as a catalyst. We achieved excellent yields (94–97%) for 24 novel

Abstract The present effort is to use good organized method for the synthesis of novel thiazoles from the reaction of different α-haloketohydrazonoyl halides with thiosemicarbazones in the basic medium at refux. In addition, new polthiazole was prepared from the reaction of 1,4-phenylene-bis(2-oxopropanehydrazonoyl chloride) with 2,2′-(1,4-phenylenebis(methanyl-ylidene))bis(hydrazine-1-carbothioamide)

Abstract Graphite carbon nitride (g- C 3 N 4 ) is well recognized among the most important products for photocatalytic processes, such as for CO 2 elimination, water isolation, water purification, and remediation of environment by the processing of organic contaminants, and also has remarkable characteristics including outstanding properties of optical and good thermal and physiochemical efficiency

Abstract A molecular descriptor is a real valued number related to a molecular graph and is a structural invariant. Molecular Descriptors(Topological Indices) are the significant numerical quantities in the fields of chemical graph theory. Quantitative structure-property relationships (QSPR)and structure-activity relationships (SAR) of the polycyclic aromatic hydrocarbon compounds necessitate expressions

Abstract The phenomenon of polycyclic aromatic hydrocarbons (PAHs) in processed meats and meat products has been a serious concern to scientists in the last few decades. This study investigates PAHs formation and mitigation in processed meats and meat products. Common carcinogenic PAHs are Benzo[a]pyrene (B[a]P), Benzo[a]anthracene (B[a]A), Benzo[b]fluoranthene (B[b]FA), Benzo[ghi]perylene (B[ghi]P)

Abstract Molecular topological indices are numerical descriptor of molecular structure obtained via molecular graph G. The forgotten topological index F(G) is a vertex degree based topological index and it can be expressed with F ( G ) = ∑ d ( v ) 3 = ∑ d ( u ) 2 + d ( v ) 2 , where d(u) denotes the degree of u. The forgotten co-index Co-F(G) is defined as the sum of squares of a graph’s vertex degrees

Abstract An efficient synthesis of some new chromene derivatives by condensing a series of aromatic aldehydes with 4-hydroxycoumarin and 3,4-methylenedioxyphenol catalyzed by Ag2Cr2O7 nanoparticles in aqueous media at room temperature is described for the first time. Avoiding hazardous solvent, using inexpensive, recyclable and nontoxic catalyst, very mild reaction conditions, high yields of products

Abstract N-substituted bis-pyrazolines were synthesized by the reaction of bis-chalcone with N-substituted thiosemicarbazide derivatives under basic conditions. Bis-chalcone was synthesized by the reaction of 1-(2,5-dimethylthiophen-3-yl)ethan-1-one with terephthalaldehyde under basic condition. The structure of the bis-pyrazoline derivatives has been confirmed by spectroscopic techniques such as FT-IR

Abstract In this study, Keggin-type phosphotungstate-based ionic liquid [HOOCC5H4NH]3PW12O40 was synthetized using nicotinic acid and H3PW12O40 as precursors and characterized via FT-IR, 1H NMR, 13C NMR, XRD, TGA, and DTG analyses. Then, [HOOCC5H4NH]3PW12O40 was utilized as a highly effective and eco-friendly catalyst for the synthesis of xanthenediones through two-component reaction of aldehydes and

Abstract An efficient method is introduced based on the copper(II) acetate catalyzed one-pot multicomponent synthesis of novel chromeno[4,3-b]pyrano[3,4-e]pyridine-6,8-dione derivatives under mild reaction conditions in water as a “green” solvent. The synthesis involves the multicomponent reaction of 4-aminocoumarin, 6-methyl-2H-pyran-2,4(3H)-dione, and aldehydes in the presence of 10 mol% of copper(II)

Abstract In this research, we aimed to synthesize a new series of C-glycosides that have thiazole-4, 5-diamine base. C-glycosides 8 was prepared by coupling compound 7 with D-glucose in the presence of iodine used as an oxidant/promoter dissolved in acetic acid and stirring at room temperature. Compound 8 was protected by reaction with acetic anhydride in the presence of pyridine gave compound 9. Furthermore

Abstract A facile and effective method to access to the N-arylated-pyridopyrimidines starting from 4-thiol or 4-chloropyridopyrimidines under microwave irradiation, is reported. The products were obtained via two different strategies providing both exellent yields. The major advantages of this process are the short reaction time, and high productivity as well as being eco-friendly. Moreover, the obtained

Abstract Reaction between 2-hydroxy-1,4-naphthoquinone and aroyl chlorides with potassium selenocyanate in the presence of catalytic amounts of N-methylimidazole under solvent-free conditions provided a simple and efficient one-pot route for the synthesis of 2-aryl-4-selenoxo-4H-naphtho[2,3-e][1,3]oxazine-5,10-diones. The reaction is characterized by mild conditions, short reaction time easy work-up

Abstract A new series of 1-(6-amino-3,5-dicyano-4-(substituted)pyridin-2-yl)-4-methylthiosemicarbazide derivatives 4(a–i) was achieved by the reaction of malononitrile and 4-methyl-3-thiosemicarbazide with various aldehydes. All the newly designed compounds were structurally established by various analytical methods (IR, 1H, 13C NMR, and HRMS). Further, all the entitled derivatives were evaluated for

Abstract Herein, a new, bio-mass derived sustainable feedstock was employed for the synthesis of 4H-pyran derivatives. In context of this, water extract of tamarindus indica seed ash (WETSA) has been proven as a reaction media for one-pot three-component reaction between C−H activated carbonyl compound, aryl aldehyde, and malononitrile which acts as a basic catalyst. This novel method offers several

Abstract Polycyclic aromatic hydrocarbons are nonpolar organic compounds that are made of two or more benzene rings. The most dangerous and the indicator of this group is benzo[a]pyrene consisted of five interlinked benzene rings the carcinogenic effect of which is confirmed by the World Health Organization. In this study, benzo[a]pyrene (BaP) decomposition with UV/ZnO process and treatment condition

Abstract An efficient eco-friendly procedure for the synthesis of spiro[indoline-3,11'-pyrazolo[3,4-a]acridine]-2,10'(1'H)-dione derivatives has been developed through a one-pot three-component condensation of 1H-indazol-6-amine, isatin, and 5,5-dimethyl cyclohexane-1,3-dione or cyclohexane-1,3-dione, in the presence of catalytic amount L-proline in EtOH at 60 °C conditions. The advantages of this

Abstract Various diaryl/hetaryl representatives of penta-1,4-dien-3-one series attract the attention of synthetic chemists during several decades owing to the possibility of their consequent chemical modification resulted in obtaining compounds of potential interest to materials science. In addition to their synthetic importance, title diarylideneacetones can be applied directly as medical drugs, such

Abstract This study was undertaken to assess polycyclic aromatic hydrocarbon (PAH) and heavy metal concentrations of commercial grilled meat (suya) and smoked catfish (Clarias gariepinus Burchell, 1822) from South-West, Nigeria. A total of 100 samples of grilled meat and 100 samples of smoked catfish were collected purposively from five major cities in South-West, Nigeria between July and October,

Abstract Dermal fibrosis and Parkinson's disease are two chronic syndromes affecting a large population leading to systematic morbidity. The mechanisms of these diseases are well debated, and many medicines are in the market for managing them. Recently, istradefylline was approved by the FDA as a medicine for the management of aforesaid disorders. But the detailed structure and reactivity profile of

Abstract In this work, nano-AlPO4/Ti(IV) (NAPT) as a new nanocomposite was prepared and then characterized by FT-IR, XRD, FESEM, TEM, BET and TGA. This nano-catalyst was used for synthesis of dihydropyrano[2,3-c]pyrazole (DHPP) derivatives by one-pot four component reaction of aldehyde, ethyl acetoacetate, malononitrile and hydrazine hydrate. An uncomplicated work-up, high yields of product, short

Abstract An approach toward the synthesis of novel conjugates of 3,5-bis (arylidene)-4-piperidones (DAP) pharmacophore with amide-linkage has been developed via one-pot multicomponent reaction of aryl aldehydes, piperidinone and 2-chloro-N-phenylacetamide using [Et3NH][HSO4] as a catalyst/medium. Both substitutions on arylidene rings and piperidinone nitrogen (substituted 2-chloro-N-phenylacetamide)

Abstract It includes the study of most versatile kind of rubber namely, Styrene-Butadiene rubber (SBR) for which the M-polynomials and various topological indices are determined and depicted using graphs. The repeat units of styrene and butadiene are classified as three different entities viz., A : [ C H 2 − C H ( C 6 H 5 ) ] n ; B : [ C H 2 − C H ( C H = C H 2 ) ] n and C : [ C H 2 − C H = C H − C

Abstract There are different mathematical tools to establish a numeric correlation between a chemical structure and its properties. A topological index is such a successful tool. It represents a graph in form of a single real number. In QSAR/QSPR study, the bioactivity of chemical compounds is predicted, using physico-chemical properties and topological indices. In this area of research, graph theory

Abstract New series of 4-methyl-2-(4-substituted phenyl)-5-(4-((4-(4-substituted phenyl)-1H-1,2,3-triazol-1-yl)methyl)-1-phenyl-1H-pyrazol-3-yl)thiazole, 6a-t and 4-(1,3-diphenyl-1H-pyrazol-4-yl)-1-((1,3-diphenyl-1H-pyrazol-4-yl)methyl)-1H-1,2,3-triazole, 11a-o derivatives have been synthesized by applying copper-catalyzed [3 + 2] cycloaddition reaction. The newly synthesized 1,3-thiazolyl-pyrazolyl-1

Abstract A novel, efficient, and grind stone procedure for the synthesis of pyrazolo[4,3-e]pyridine compounds at room temperature was reported. This methodology offers several advantages such as mild conditions, excellent yields, simple procedure, and reduced environmental consequences. The structures of synthesized 4-Aryl-4,10-dihydroindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-ones were confirmed by

Abstract In this study, the interacting characteristics of dibenzo[a,h]anthracene (DBA) with free DNA in vitro were investigated through multiple conventional spectroscopic techniques. UV–vis absorption spectroscopy was used to initially explore whether there was an interaction between DBA and DNA. Fluorescence spectroscopy was exploited to explore the binding characteristics and binding force between

Abstract In this research, covalently linked sulfonic acid (SO3H) modified g-C3N4 nanosheet (CNNs) catalysts was prepared. For this purpose, graphitic carbon nitride nanosheets (CNNs) were successfully synthesized. By the reaction of synthesized CNNs with 1,4-butane-sultone, CNNs-Bu-SO3H organocatalyst was produced. The synthesized organocatalyst was characterized by FTIR, EDS, XRD, FESEM, and TGA

Abstract A green, efficient and convenient synthesis of pyrano[2,3-d]pyrimidine scaffolds has been developed via one-pot three-component reaction of aryl aldehyde derivatives, malononitrile with barbituric acid/1,3-dimethylbarbituric acid using ethylene glycol (E-G) as a solvent as well as catalyst. Eighteen pyrano[2,3-d]pyrimidine scaffolds were selected for the library validation. The superiority

Abstract A series of new amidrazones were prepared by the reaction of [4,4'-bithiazole]-2,2'-diamine with hydrazonoyl chlorides under suitable conditions. The spectral results and the electronic absorption data proved the postulated structures of the resulting compounds. The final compounds are described in the synthetic schemes. The chemical structures of the final products are identified by different

Abstract A heterogeneous, inexpensive and eco-friendly graphene oxide (GO) catalyst empowered the formation of bioactive biscoumarin derivatives involving domino Knoevenagel–Michael condensation using 4-hydroxycoumarin and aromatic aldehydes in H2O: EtOH solvent system. The prepared GO was well characterized by Fourier transform infrared (FT-IR), X-ray diffraction spectroscopy (XRD), field emission

Abstract In this research work, was utilized green process for the synthesis of chromen derivatives is illustrated using one-pot reactions of anthranilic acid, 2-hydroxyacetophenone or its derivatives and dimethyl carbonate in the vicinity of catalytic amount of KF/Clinoptilolite nanoparticles in water as green solvent at 80 °C in short time. This procedure that is described here have some advantages

Abstract Graphite carbon nitride is well recognized among the most important products for photocatalytic processes, such as for CO2 elimination, water isolation, water purification, and remediation of environment by the processing of organic contaminants and also have remarkable characteristics including outstanding properties of optical and good thermal and physiochemical efficiency with broad applications

Abstract A convenient approach for the synthesis of diversely functionalized [1,2,4]triazolo[5,1-f]purine heterocyclic framework have been accomplished. The products were obtained through the combination of 5-amino-3-(methylthio)-1H-1,2,4-triazole with 5-bromo-2,4-dichloro-6-methylpyrimidine followed by a SNAr alkoxylation of the novel tricyclic heterocyclic core with various aliphatic alcohols. All

Abstract Osmium(IV) pyrazole carbothioamide complexes with different substituted pyrazole carbothioamide heterocyclic ligands have been synthesized and characterized. The ligands have been characterized using 1H-NMR, 13C-APT, LC-MS, elemental analysis, and IR spectroscopy. Whereas, osmium(IV) compounds have been characterized using ESI-MS, ICP-OES, IR spectroscopy, magnetic, and conductance measurements

Abstract A novel N 2-alkyl-3-thioxo-8-nitro-1,2,4-triazino[5,6-b]indoles and 3-alkylated 3-thioxo-8-nitro-1,2,4-triazino[5,6-b]indoles (2–13) were obtained by treatment of 8-nitro-1,2,4-triazino[5,6-b]indole-3-(2H,5H)thione (1) using various alkylating agents and different regioselective conditions. The chemical reactivity of compound 1 toward some nucleophilic and electrophilic compounds such as isothiocyanates

Abstract The experimental spectral studies and quantum level theoretical studies were carried out by Density Functional Theory on the compound 1-(diphenylmethyl)piperazine (1DPMP). The optimized geometry and the vibrational frequencies have been computed by the Density Functional Theory with B3LYP method and 6-311++G(d,p) basis set. The observed values of 1H and 13C chemical shifts were compared with

Abstract The general harmonic index and general sum-connectivity index are two degree-based topological indices which reflect certain structural features of organic molecules. A fluoranthene-type benzenoid system (f-benzenoid) is a polycyclic conjugated system obtained by joining two ordinary benzenoid hydrocarbons so as to form a five-membered ring. In this paper, by virtue of molecular structural

Abstract Nano-Fe3O4–l-cysteine as a superior catalyst has been used for the synthesis of indeno [1,2-c]pyrazol-4(1H)-ones through a three-component reaction of phenylhydrazine, aromatic aldehydes and indan-1,2,3-trione at room temperature in acetonitrile. The catalyst has been characterized by XRD, FT-IR, SEM, EDS, TGA and VSM. This method provides several advantages including mild reaction conditions

Abstract Nowadays heterocyclic compounds containing pyrimidine scaffold attract the interest of many organic chemists due to their strong biological activity, so herein we present the synthesis of new polycyclic compounds starting from 4-chloro-9-phenyl-N-(p-tolyl)pyrimido[5',4':4,5]thieno[3,2-d][1,2,3]triazin-7-amine (1) which allowed to react with hydrazine hydrate to give hydrazinyl triazine compound

Abstract An efficient, recyclable silica supported tungstophosphoric acid (HPW/SiO2) catalyst was prepared by simple stirring method. The catalyst was characterized using FT-IR, X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET), and scanning electron microscopy (SEM) techniques. The catalyst was explored in semi aqueous condition toward synthesis of 1,8-dioxoacridine carboxylic acid derivatives

Abstract Petrovská klobása is traditional dry fermented sausage with intense red color, what differentiate it from other products of the same type. Very important factor in traditional sausage production is smoking, providing unique surface color of Petrovská klobása. On the other hand, smoking produces certain types of potentially carcinogenic chemicals, such as polycyclic aromatic hydrocarbons (PAH)

Abstract In this work, new indole-acrylamide-1,2,3-triazole derivatives 9a–j were synthesized via simple and efficient chemical reactions and screened for in vitro anti-α-glucosidase activities. All the synthesized derivatives exhibited excellent α-glucosidase inhibition in the range of IC50 = 65.0 ± 0.8 − 396.3 ± 0.7 µM as compared to the standard inhibitor acarbose (IC50 = 750.0 ± 1.5 µM). Furthermore

Abstract One-pot multicomponent reactions are an attractive synthetic strategy to generate multiple molecular scaffolds. Activation of a terminal alkyne C–H bond by transition metal catalysts is a reaction of fundamental interest in organic synthesis. One of the best examples of such a process is three components coupling of aldehydes, alkynes, and amines (A3-coupling). Herein, Cu(II)-containing nano-silica

Abstract Chemical graph theory models have been extensively used as predictors of the properties of chemical compounds. Nanotechnology is the study of manipulating matter on an atomic and molecular scale. There are many applications of nanotechnology in the area of medicine, chemistry, energy, agriculture, information and communication, heavy industry, and consumer goods. A Kekule structure in a molecular

Abstract The molecular structure of hydroxychloroquine (HCQ) used in the treatment of malaria is recently suggested for emergency used in COVID-19. The chemical compound of HCQ is produced by chemical alteration of ethylene oxide from human products, such as waxy maize starch. The molecular graph is a graph comprising of atoms called vertices and the chemical bond between molecules is called edges

Abstract Let G be a graph and A(G) the adjacency matrix of G. The polynomial π ( G , x ) = per ( x I − A ( G ) ) is called the permanental polynomial of G. The permanental sum of G is the sum of the absolute values of the coefficients of π ( G , x ) . In this article, we investigate the permanental sum of the tree-type polyphenyl system. We give some inequalities about the permanental sum of tree-type

Abstract New series of bis(amino-1,2,4-triazoles ‏) 5a–f were prepared by the reaction of bis(chloro) diamides 3a–d with 5-substituted-4-amino-1,2,4-triazoles-3-thiole (4a–c). Reaction of bis(amino) triazoles 5a–d with the appropriate aldehydes afforded the corresponding Schiff bases 7a–d in good yields. Similarly, cyclocondansation of bis(amino) triazoles 5a–d with 1,3-bis(2-formyphenoxy)-2-propanol

Abstract 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 derived degree based 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

Abstract One pot multi-component strategy has been developed for the synthesis of a small library of nineteen 4-aryl-1,4-dihydro-oxochromeno[3,2-b]oxoindeno[6,5-e]pyridine by the condensation of 4-aminocoumarin, aromatic aldehyde and indane-1,3-dione in acetic acid:ethylene glycol (5:1) in good yields along with the formation of di-(4-aminocoumarin-3-yl)arylmethane as by product in three cases. The