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A simple synthetic strategy to construction of novel 4-oxo-2-phenyl-4H-chromene-3-carbothioamides (2–6) was achieved. The synthetic strategy depended on the treatment of 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione (1) with some examples of aryl, aralkyl, aroyl and phosphorus isothiocyanates with promotion of DBU. The interesting 4,6-diphenyl-5-(2-hydroxy-benzoyl)-2-thioxo-3,4-dihydro-2H-1,3,4-oxazaphosphinine (8) as a highly regioselective product was obtained through treatment of the substrate 1 with phenyl phosphonisothiocyanatidous chloride whereas the other novel 2-phenyl-3-(2-thioxo-2H-1,3,5,4-thiadiazaphosphinin-6-yl)-4-oxo-4H-chromenes (9 and 10) were formed by using phosphorous diisothiocyanate and triisothiocyanate, respectively, under the same basic reaction conditions. All the reaction mechanisms were discussed. Structures of all the synthesized products were established by elemental analysis and available spectral tools. [ABSTRACT FROM AUTHOR]

With the ultimate goal of discovering new anticancer agents, this study involved the design and synthesis of fifteen novel Schiff bases 4a,b, 5, 6a–d, 7a–e, and 8–10 which contain 3-(2-oxo-2H-chromen-3-yl)-1-(4-phenylthiazol-2-yl)-1H-pyrazole moiety. The synthetic method depended on reaction of 3-(2-oxo-2H-chromen-3-yl)-1-(4-phenylthiazol-2-yl)-1H-pyrazole-4-carboxaldehyde (3) with a series of aromatic and heteroaryl amines under ultrasound irradiation to explore the influence of aromatic and heteroaryl rings on biological activity. The chemical structures of these Schiff bases were fully elucidated using various spectral and elemental analyses. The antiproliferative activities of the Schiff bases were studied by the standard SRB method. Among the new 15 Schiff bases, derivatives 4a,b, 5, and 7b have significant cytotoxic effects against PC3, HepG2, and HCT116 cancer cell lines. These four bioactive Schiff bases significantly increased the late apoptosis of all studied tumor cells. Also, both products 4a and 4b arrested the cell cycle at the G1 phase, while both compounds 5 and 7b arrested the S and G2 phases against PC3 cells. In addition, the products 4a, 4b, 5, and 7b have promising high abilities to arrest the cell cycle at the G2 phase against HepG2 and HCT116 cells. The different substitutions on the aryl ring were the basis for the structure–activity relationship study. The molecular docking study confirmed good binding interactions of these compounds with Cyclin-dependent kinase 8 (CDK-8) receptor, while the absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction supported that these bioactive products can be promising anticancer agents. [ABSTRACT FROM AUTHOR]

We discovered a simple synthetic approach to the construction of novel 2-amino-5-mercapto-6-(mercaptomethyl)-4-aryl-4H-pyran-3-carbonitriles (3a-i) under metal-free conditions. The methodology depended on the treatment of 2-arylidenemalononitriles (2a-i) with 2-(5-oxo-1,3-dithian-2-ylidene)malononitrile (1) or 1,3-dimercaptopropan-2-one (5) in absolute ethanol using triethylamine as an effective catalyst. The reaction mechanism was discussed. Structures of all the synthesized products were established by elemental analysis and spectral tools. [ABSTRACT FROM AUTHOR]

Autism spectrum disorder (ASD) is a common neurodevelopmental illness characterized by abnormal social interactions, communication difficulties, and repetitive and limited behaviors or interests. The BTBR T+ Itpr3tf/J (BTBR) mice have been used extensively to research the ASD-like phenotype. Lead (Pb) is a hazardous chemical linked to organ damage in the human body. It is regarded as one of the most common metal exposure sources and has been connected to the development of neurological abnormalities. We used flow cytometry to investigate the molecular mechanism behind the effect of Pb exposure on subsets of CD4+ T cells in the spleen expressing IFN-γ, T-bet, STAT1, STAT4, IL-9, IRF4, IL-22, AhR, IL-10, and Foxp3. Furthermore, using RT-PCR, we studied the effect of Pb on the expression of numerous genes in brain tissue, including IFN-γ, T-bet, STAT1, STAT4, IL-9, IRF4, IL-22, AhR, IL-10, and Foxp3. Pb exposure increased the population of CD4+IFN-γ+, CD4+T-bet+, CD4+STAT1+, CD4+STAT4+, CD4+IL-9+, CD4+IRF4+, CD4+IL-22+, and CD4+AhR+ cells in BTBR mice. In contrast, CD4+IL-10+ and CD4+Foxp3+ cells were downregulated in the spleen cells of Pb-exposed BTBR mice compared to those treated with vehicle. Furthermore, Pb exposure led to a significant increase in IFN-γ, T-bet, STAT1, STAT4, IL-9, IRF4, IL-22, and AhR mRNA expression in BTBR mice. In contrast, IL-10 and Foxp3 mRNA expression was significantly lower in those treated with the vehicle. Our data suggest that Pb exposure exacerbates immunological dysfunctions associated with ASD. These data imply that Pb exposure may increase the risk of ASD. [ABSTRACT FROM AUTHOR]

Multiple sclerosis (MS) is a degenerative condition characterized by immune-mediated attacks on the central nervous system (CNS), resulting in demyelination and recurring T-cell responses. The histamine H4 receptor (H4R) is mainly expressed in cellular populations and plays a vital role in inflammation and immunological responses. The role of H4R in neurons of the CNS has recently been revealed. However, the precise role of H4R in neuronal function remains inadequately understood. The objective of this work was to investigate the impact of JNJ 10191584 (JNJ), a highly effective and specific H4R antagonist, on the development of experimental autoimmune encephalomyelitis (EAE) and to gain insight into the underlying mechanism involved. In this study, we examined the potential impact of JNJ therapy on the course of EAE in SJL/J mice. EAE mice were administered an oral dose of JNJ at a concentration of 6 mg/kg once a day, starting from day 10 and continuing until day 42. Afterward, the mice's clinical scores were assessed. In this study, we conducted additional research to examine the impact of JNJ on several types of immune cells, specifically Th1 (IFN-γ and T-bet), Th9 (IL-9 and IRF4), Th17 (IL-17A and RORγt), and regulatory T (Tregs; Foxp3 and TGF-β1) cells in the spleen. In this study, we further investigated the impact of JNJ on the mRNA expression levels of IFN-γ, T-bet, IL-9, IRF4, IL-17A, RORγt, Foxp3, and TGF-β1 in the brain. Daily treatment of JNJ effectively reduced the development of EAE in mice. The percentages of CD4+IFN-γ+, CD4+T-bet+, CD4+IL-9+, CD4+IRF4+, CD4+IL-17A+, and CD4+RORγt+ cells were shown to decrease, whereas the percentages of CD4+TGF-β1+ and CD4+Foxp3+ cells were observed to increase in EAE mice treated with JNJ. Therefore, the HR4 antagonist positively affected the course of EAE by modulating the signaling of transcription factors. The identified results include possible ramifications in the context of MS treatment. [ABSTRACT FROM AUTHOR]

A series of new 5-(arylidene/heteroarylidene)-2-(morpholinoimino)-3-phenylthiazolidin-4-ones (3–30) was synthesized. Cytotoxic effectiveness of these products was done against three cancerous cell lines (MCF-7, HepG-2, and SKOV-3) by standard SRB method. Fortunately, compounds 5, 7, 11, 12, 17, and 18 were found to be the most active against all the tested cell lines, comparable to doxorubicin. Apoptosis was determined using flow cytometry along with cell cycle analysis and supported by a molecular docking. The products 5, 7, and 12 induced a significant early-and late-apoptotic effect against all tumor cells while the products 5, 7, 11, and 12 significantly arrested all cancer cells in the S and G2 phases. Finally, a molecular docking was attempted to investigate the binding mode of the identified compounds 5 and 7 in with VEGFR-2-KDR receptor. [ABSTRACT FROM AUTHOR]

A series of novel 6-amino-4-thioxo-pyrano[2,3-c]pyrazole-5-carbonitriles, 7-amino-5-thioxo-pyrano[2,3-d]pyrimidine-6-carbonitriles and 4,7-diamino-5-thioxo-pyrido[2,3-d] pyrimidine-6-carbonitriles were achieved by facile green one-pot and three-component synthesis. The method depended on one-pot three-component reaction of readily available starting materials carbon disulfide, malononitrile and heterocyclic active methylene compounds catalyzed by triethylamine in water as solvent under ultra-sonication technique. The remarkable advantages of this method are the simple procedure; high yields, short rection time and environmentally benign method are the advantages of this protocol. There is no need for any additional chromatographic separation with this procedure. Analytical and spectroscopic methods were used to comprehensively characterize the structures of all newly products. [ABSTRACT FROM AUTHOR]

An efficient and practical method for the synthesis of novel fused phosphorus heterocycles incorporating diethyl phosphonate by the one-pot in the presence of Fe3O4 nanoparticles as a reusable catalyst was achieved. The four-component reactions of ortho-substituted anilines, namely 2-aminophenol, 2-aminothiophenol and 1,2-phenylenediamine with salicylaldehyde, diethyl phosphite and hexaethylphosphorus triamide in the presence of Fe3O4 nanoparticles as a catalyst at 80–90 °C afforded the corresponding 1,3,2-benzo(oxaza/thiaza/diaza)phospholo[2,3-b][1,3,2]benzoxazaphosphinines 1–3 in good yields (80-84%). When the same reactions were repeated by substitution of salicylaldehyde with benzaldehyde, the 1,2-benzazaphospholo[2,1-b][1,3,2]benzo(oxaza/thiaza)phospholes 4 and 5 and 1,3,2-benzodiazaphosphole 6 derivatives were isolated in 78–83% yields. The structures of the synthesized compounds were established by elemental analysis and spectroscopic techniques (IR, MS and NMR). [ABSTRACT FROM AUTHOR]

A simple method for design of some novel 1,2-benzoxaphosphinines 2–9, was achieved. The methodology depended on cyclization of 1-(2-hydroxy-phenyl)-3-phenylpropane-1,3-dione (1) as starting material with some phosphorus halides in dry solvent in the presence of a base. Reaction of the substrate 1 with some phosphorus halides, such as P,P-dichlorophenylphosphine, phenyl phosphonic dichloride, phenyl phosphorodichloridate, and phosphorus oxychloride in dry toluene containing triethylamine led to a predominant formation of 3-benzoyl-4-hydroxy-2H-1,2-benzoxaphosphinines 2–5, respectively. Under the same reaction conditions, the molecular structures of type 3-benzoyl-4H-1,2-benzoxaphosphinin-4-ones 6 and 7 were isolated by treatment of the substrate 1 with phosphorus pentachloride and phosphorus tribromide, respectively. In addition, the interesting 4-(1-phenyl-ethanoyl)-1,2,λ5-benzoxaphosphinines 8 and 9 were obtained by treatment of compound 1 with acetonyl and benzyl triphenylphosphonium chlorides, respectively, in dry dioxane and sodium hydride. The chemical structures of the title compounds were established by elemental analysis and spectral tools. [ABSTRACT FROM AUTHOR]

[Display omitted] • Synthesized sensor BMP is AIEE active. • Chalcone based dual sensor has been synthesized for Zn2+, 4-NP and chloroform detection. • Zn2+ and 4-NP were sensed by BMP through CHEF and PET phenomenon. • BMP sensor can be employed as invisible ink. • NMR, UV– Vis. and fluorescence titration experimentations and extensive DFT studies supported non-covalent interactions. Excessive utilization of Zn2+ and 4-nitrophenol (4-NP) in multiple fields has been becoming a serious threat to the environment and human health from a long time. Considering this, a multipurpose, extremely sensitive and selective fluorescent sensor BMP has been developed for the sensing of Zn2+, 4-NP and chloroform. Chalcone based sensor BMP was easily synthesized through simple aldol condensation reaction that possessed remarkable aggregation induced emission enhancement (AIEE) features along with the formation of J-aggregates. The particle size of aggregates was measured by DLS analysis. Sensor BMP showed strong emission at wavelength 430 nm. Moreover, sensor BMP showed different emissive behavior in various solvents. Sensor BMP selectively detected the Zn2+ through Chelation Enhanced Fluorescence (CHEF) intensity. BMP sensor has selectively sensed the 4-NP through photo-induced electron transfer (PET) quenching mechanism. Along with Zn2+ and 4-NP the sensor BMP has interestingly detected the percentage of chloroform in DCM. The calculated values of limit of detection for Zn2+, 4-NP and chloroform is 43 nM, 18 nM and 0.1 % v/v, respectively. UV–Visible, 1H NMR, LC-MS titration, and SEM experiments were also executed to verify the interaction of BMP sensor with respective analytes. Furthermore, the experimental findings were further justified through the theoretical studies including energy calculation of orbitals and nature of interactions. BMP sensor was employed in both solution and solid state for successful sensing of Zn2+, 4-NP and chloroform in real samples. [ABSTRACT FROM AUTHOR]

Some novel phosphorus compounds of types 1,2-benzoxaphosphinines, phospholo-[3,4-b][1]benzofuran, and chromonyl/coumarinyl/indenonyl phosphonates were achieved. The methodology depended on reaction of 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione (1) with diethyl phosphite in the absence and presence of electrophilic reagent. Reaction of substrate 1 with diethyl phosphite in the presence of a base afforded 3-benzoyl-4-hydroxy-2-oxido-2H-1,2-benzoxaphosphinine (2), white its reaction with diethyl phosphite in the presence of ammonia, formaldehyde and chloroacetyl chloride under basic conditions gave the corresponding 4-ethoxy-4-oxido-2-phenyl-3,4-dihydro[1,2]benzoxaphosphinino[3,4-b] pyrrole (6) and 1-benzoyl-2-ethoxy-3-hydroxy-2-oxido-2H-phospholo[3,4-b][1]benzofuran (7), respectively. In addition, treatment of compound 1 with diethyl phosphite in the presence of DMFDMA, ethyl chloroacetate and oxalyl chloride under the same conditions led to the formation of chromonyl/coumarinyl/indenonyl phosphonates 3, 8, and 10, respectively, in moderate yields. The reaction mechanisms for the formation of these products were presented and explained. The molecular structures of products were deduced by spectral and analytical tools. The antimicrobial activity for the novel products were evaluated. The antimicrobial results were supported by SwissADME server based in silico computations. Both products 6 and 10 showed excellent antimicrobial properties. [ABSTRACT FROM AUTHOR]

• Clinicians should be alert to neurologic complications associated with COVID-19. • Acute encephalopathy may be the first presentation of COVID-19 in children. • Prompt management is essential to avoid long-term neurologic sequelae. COVID-19 is a global health crisis that has impacted the world with heavy economic and social losses. In the early days of the pandemic, pediatric COVID-19 was well-known for its low infectivity and mortality rates as well as its benign clinical outcomes. Herein, we report the case of a 6-year-old girl with COVID-19-associated encephalopathy without respiratory symptoms. To the best of our knowledge, this is the first child reported from Saudi Arabia with COVID-19-induced encephalopathy. A 6-year-old patient with COVID-19 was presented to the Abha Maternity and Child Hospital in southeastern Saudi Arabia. Routine clinical and laboratory examinations revealed normal findings. Despite the absence of COVID-19 respiratory manifestations, the patient manifested COVID-19-related encephalopathy. The patient responded well to pulse steroid, favipiravir, and symptomatic seizure therapies. The patient recovered completely without any neurologic morbidities. A COVID-19-related encephalopathy was observed for the first time in Saudi Arabia among pediatric patients. Clinicians should be alert to potential neurologic complications associated with COVID-19. It should be considered in the differential diagnosis of children presenting with acute encephalopathy, even in the absence of respiratory symptoms. To avoid long-term neurologic sequelae, prompt seizure and immunosuppressive therapies are essential. [ABSTRACT FROM AUTHOR]

Synthesis of novel 4-(1,3,2-diazaphosphinin-5-yl)-1,2-dihydrothieno[3,2-d][1,2,3] diazaphosphinines 5-8 was achieved. The methodology depended on preparation of 5-[(2-thienyl)methyl]hydrazono-2-oxido-2-phenyl-4-(trifluoromethyl)-1H-1,3,2-diazaphosphinine (4) through the cyclization of 2-[(dimethylamino)methylene]-4,4,4-trifluoro-1-(2-thienyl)-butane-1,3-dione (2) with phenyl phosphonic diamide, followed by hydrazine hydrate. Cyclization of the hydrazone 4 with some phosphorus halides at refluxing pyridine gave the target products in acceptable yields. [ABSTRACT FROM AUTHOR]

• A deferasirox based sensor DPA was successfully synthesized by single step imidation reaction. • Sensor DPA exhibited AIEE property along with remarkable bathochromic shift. • Sensor DPA was employed for selective and sensitive fluorescence based sensing of NB. • The spectroscopic and DFT simulations verified the existence of non-covalent interaction between nitrobenzene and sensor. A deferasirox based sensor DPA was rationally designed through single step amidation reaction. Sensor DPA exhibited aggregation induced emission enhancement (AIEE) property that was attributed to restriction in intramolecular rotation (RIR). Moreover, the sensor DPA displayed remarkable bathochromic shift (red-shift) of 110 nm in wavelength, ascribed to formation of J -aggregates. Furthermore, sensor DPA was employed for the selective and sensitive fluorescence based sensing of hazardous and carcinogenic nitrobenzene (NB). The sensor DPA successfully detected NB in solution through the quenching of emission intensity. The quenching of sensor fluorescence intensity was ascribed to photoinduced electron transfer (PET) mechanism. The sensing mechanism was investigated by 1H NMR titration experiment, Job's plot and density functional theory (DFT) calculations. Additionally, the existence of non-covalent interactions between sensor DPA and NB were examined by Bader's Quantum theory of atoms in molecules (QTAIM) and non-covalent interaction (NCI) analysis. Finally, sensor DPA was employed for the detection of volatile nitrobenzene in vapor phase. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • Probe PPN ratiometrically detected mefenamic acid. • Spectroscopic studies proved noncovalent interactions. • Extensive DFT studies were conducted to analyze interactions. • Probe PPN was employed in real samples to detect traces of mefenamic acid. Over intake of mefenamic acid (MA) cause morbidity, mortality, liver damage, and hepatic necrosis. For this reason, it is of great importance to discover novel methodologies that provide sharp detection timing, improved sensing efficiency, and profound reproducibility in MA detection. In our current research, we synthesized a naphthalic anhydride based probe PPN which revealed excellent sensing potential towards MA. Probe PPN exhibited ratiometric fluorescence against MA based on complex formation and photoinduced electron transfer (PET) process. Detection mechanism was verified through Density functional theory (DFT) calculations and 1H NMR titration experiments. The type of interaction between probe PPN and MA was investigated through quantum theory of atoms in molecules (QTAIM) analysis and noncovalent interaction (NCI) analysis and was further evaluated via spectroscopic analysis. Moreover, the probe PPN was practically employed to the sensing of MA in artificial urine, pharmaceutical wastewater, and blood samples. Probe PPN is the most streamlined probe designed ever for the sensing of MFA in complex environments with extreme selectivity and sensitivity. [ABSTRACT FROM AUTHOR]

Some novel substituted benzofurans and annulated furochromenes were obtained through the treatment of the novel (2E)-3-(4,9-dimethoxy-5-oxo-5H-furo[3,2-g]chromen-6-yl)acrylonitrile (2) by some active carbon nucleophiles such as active methylene ketones and methylene nitriles. Thus, the reaction of acrylonitrile 2 with acetylacetone, ethyl acetoacetate, diethylmalonate, and acetoacetanilide in ethanol containing piperidine produced efficiently the corresponding polyfunctionalized benzonitrile derivatives 3–5 and furochromeno-pyridine 6, respectively. Also, treatment of acrylonitrile 2 with some methylene nitriles such as malononitrile, ethyl cyanoacetate, and malononitrile dimer afforded the annulated furochromene derivatives 7–9. Furthermore, the pyrido[1,2-a] benzimidazole system 10 was furnished via reaction of acrylonitrile 2 with 2-(1 H-benzimidazol-2-yl)acetonitrile. These reactions took place through Michael addition, retro-Michael, and γ-pyrone ring opening followed by different types of recyclization. The chemical structures of the novel products were established on the basis of their spectral data and elemental analysis. [ABSTRACT FROM AUTHOR]

A sustainable method was used to produce aromatic ketones by the solvent-free benzylic oxidation of aromatics over mesoporous Cu(II)-containing propylsalicylaldimine anchored on the surface of Santa Barbara Amorphous type material-15 (CPSA-SBA-15) catalysts. For comparison, mesoporous Cu(II)-containing propylsalicylaldimine anchored with Mobil Composition of Matter-41 (CPSA-MCM-41) was assessed for these reactions under similar reaction conditions. The washed CPSA-SBA-15(0.2) (W-CPSA-SBA-15(0.2)) catalyst was prepared using an easy chemical method for the complete removal of non-framework CuO nanoparticle species on the surface of pristine CPSA-SBA-15(0.2) (p-CPSA-SBA-15(0.2) prepared with 0.2 wt% of Cu, and its catalytic activity was evaluated with different reaction parameters, oxidants and solvents. In order to confirm the catalytic stability, the recyclability was assessed, and the performance of hot-filtration experiments was also evaluated. All the catalysts used for these catalytic reactions were characterized using many instrumental techniques to pinpoint the mesoporous nature and active sites of the catalysts. The proposed reaction mechanism has been well documented on the basis of catalytic results obtained for solvent-free oxidation of aromatics. Based on the catalytic results, we found that W-CPSA-SBA-15(0.2) is a very ecofriendly catalyst with exceptional catalytic activity. [ABSTRACT FROM AUTHOR]

An effective green one-pot and catalyst-free synthesis of a series of novel 5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyrano[2,3-c]pyrazoles and 6-(thiophene-2-carbonyl)-7-(trifluoromethyl)pyrano[2,3-d]pyrimidines bearing chromone ring was achieved. The method depended on a one-pot three-component reaction of readily available starting materials 4-oxo-4H-chromene-3-carboxaldehyde, 2-thenoyltrifluoroacetone, and cyclic active methylene compounds in water as solvent. The targeted compounds were assessed for their in vitro anticancer activity against mammary gland breast cancer cell line (MCF-7), liver cancer (HepG-2), and human colon cancer (HCT-116) by using sulphorhodamine B assay (SRB) method, while doxorubicin, was utilized as standard reference drug. Compounds 4a, 4c, and 6b exhibited excellent anticancer activity versus all cancer cell lines with IC50 values ranging from 1.7 to 9.9 μg/mL. [ABSTRACT FROM AUTHOR]

A series of novel 6-ethoxy-6-oxido-3-oxo(thioxo)(imino)-5-substituted-2,7-dihydro-1,2,4-triazolo[3,4-e][1,2,3]diazaphospholes 2a-f was synthesized and characterized by IR and NMR (1H, 13C, and 31P) spectroscopic analysis. The methodology developed was one-pot three-component reaction of ethyl bromoacetate, triethyl phosphite and carbo(thio)(amino)hydrazides. The synthesized compounds were screened for their antimicrobial activities. 6-Ethoxy-6-oxido-3-oxo(thioxo)-5-phenyl-2,5,7-trihydro-1,2,4-triazolo[3,4-e][1,2,3]diazaphospholes (2c,d) exhibited significantly higher antimicrobial effects against the tested bacterial and fungal strains compared to other compounds and standard drug. [ABSTRACT FROM AUTHOR]

Design of some novel functionalized thiophene, thieno[2,3-b]thiophene, thiopyran and thiopyrano[2,3-b]thiopyran bearing phosphonate groups was described in one-pot through simple two steps. The methodology depended on the reaction of three-component of chloroacetyl chloride with triethyl phosphite in the presence of sodium 2,2-dicyanoethene-1,1-bis(thiolate) or sodium (2,2-dicyano-1-methylthioethen-1-yl)thiolate in a certain sequence. [ABSTRACT FROM AUTHOR]

New 1,2-azaphosphole, 1,3,2-diazaphosphinine, and phosphonate derivatives containing pyrano[2,3-c]pyrazole moiety were achieved. The synthetic pathways depended on the reaction of 6-amino-3-methyl-1,4-diphenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with some phosphorus reagents such as diethyl phosphite, phosphorus sulfides, and phenyl phosphorus halides under different conditions. Compounds 6 and 7 recorded potent antibacterial and antifungal activities with lower toxicity, while compounds 4 and 6 displayed promising antioxidative properties. Further, compounds 4 and 9 exhibited potent cytotoxic effects against MCF-7, HepG-2, and HCT-116 cancer cells. The early apoptotic cell death was observed by the compounds in all types of the treated cells. Compounds 3, 5, 7, 10, and 14 recorded low to moderate percentages of necrosis and late apoptosis toward all treated cells. [ABSTRACT FROM AUTHOR]

The Prins cyclization of styrene (SE) with paraformaldehyde (PFCHO) was conducted with mesoporous ZnAlMCM-41 catalysts for the synthesis of 4-phenyl-1,3-dioxane (4-PDO) using a liquid phase heterogeneous catalytic method. For a comparison study, the Prins cyclization reaction was also conducted over different nanoporous catalysts, e.g. mesoporous solid acid catalysts, AlMCM-41(21) and ZnMCM-41(21), and microporous catalysts, USY, Hβ, HZSM-5, and H-mordenite. The recyclable mesoporous ZnAlMCM-41 catalysts were reused in this reaction to evaluate their catalytic stabilities. Since ZnAlMCM-41(75) has higher catalytic activity than other solid acid catalysts, washed ZnAlMCM-41(75)/W-ZnAlMCM-41(75) was prepared using an efficient chemical treatment method and used with various reaction parameters to find an optimal parameter for the highly selective synthesis of 4-PDO. W-ZnAlMCM-41(75) was also used in the Prins cyclization of olefins with PFCHO and formalin (FN, 37% aqueous solution of formaldehyde (FCHO)) under different reaction conditions to obtain 1,3-dioxanes, which are widely used as solvents or intermediates in organic synthesis. Based on the nature of catalysts used under different reaction conditions, a reasonable plausible reaction mechanism for the Prins cyclization of SE with PFCHO is proposed. Notably, it can be seen from the catalytic results of all catalysts that the W-ZnAlMCM-41(75) catalyst has higher 4-PDO selectivity with exceptional catalytic activity than other microporous and mesoporous catalysts. [ABSTRACT FROM AUTHOR]

The cyclo condensation of some bi-functionally quinazolinones with some phosphorus dihalides in dry pyridine led to novel 1,3,4,2-oxadiazaphospholo[5,4-b]quinazolinones, 1,3,4,2-thiadiazaphospholo[5,4-b]quinazolinones and 1,2,4,3-triazaphospholo[5,1-b]quinazolinones. The structure of novel products was established by IR and NMR spectroscopy. [ABSTRACT FROM AUTHOR]

Traumatic brain injury (TBI) is among the most debilitating neurological disorders with inadequate therapeutic options. It affects all age groups globally leading to post-TBI behavioral challenges and life-long disabilities requiring interventions for these health issues. In the current study, C57BL/6J mice were induced with TBI through the weight-drop method, and outcomes of acutely administered ketamine alone and in combination with perampanel were observed. The impact of test drugs was evaluated for post-TBI behavioral changes by employing the open field test (OFT), Y-maze test, and novel object recognition test (NOR). After that, isolated plasma and brain homogenates were analyzed for inflammatory modulators, i.e., NF-κB and iNOS, through ELISA. Moreover, metabolomic studies were carried out to further authenticate the TBI rescuing potential of drugs. The animals treated with ketamine-perampanel combination demonstrated improved exploratory behavior in OFT (P < 0.05), while ketamine alone as well as in combination yielded anxiolytic effect (P < 0.05 ‐ 0.001) in posttraumatic mice. Similarly, the % spontaneous alternation and % discrimination index were increased after the administration of ketamine alone (P < 0.05) and ketamine-perampanel combination (P < 0.01 ‐ 0.001) in the Y-maze test and NOR test, respectively. ELISA demonstrated the reduced central and peripheral expression of NF-κB (P < 0.05) and iNOS (P < 0.01 ‐ 0.0001) after ketamine-perampanel polypharmacy. The TBI-imparted alteration in plasma metabolites was restored by drug combination as evidenced by metabolomic studies. The outcomes were fruitful with ketamine, but the combination therapy proved more significant in improving all studied parameters. The benefits of this new investigated polypharmacy might be due to their antiglutamatergic, antioxidant, and neuroprotective capacity. [ABSTRACT FROM AUTHOR]

Traumatic brain injury (TBI) is among the most debilitating neurological disorders with inadequate therapeutic options. It affects all age groups globally leading to post-TBI behavioral challenges and life-long disabilities requiring interventions for these health issues. In the current study, C57BL/6J mice were induced with TBI through the weight-drop method, and outcomes of acutely administered ketamine alone and in combination with perampanel were observed. The impact of test drugs was evaluated for post-TBI behavioral changes by employing the open field test (OFT), Y-maze test, and novel object recognition test (NOR). After that, isolated plasma and brain homogenates were analyzed for inflammatory modulators, i.e., NF-κB and iNOS, through ELISA. Moreover, metabolomic studies were carried out to further authenticate the TBI rescuing potential of drugs. The animals treated with ketamine-perampanel combination demonstrated improved exploratory behavior in OFT (P < 0.05), while ketamine alone as well as in combination yielded anxiolytic effect (P < 0.05 ‐ 0.001) in posttraumatic mice. Similarly, the % spontaneous alternation and % discrimination index were increased after the administration of ketamine alone (P < 0.05) and ketamine-perampanel combination (P < 0.01 ‐ 0.001) in the Y-maze test and NOR test, respectively. ELISA demonstrated the reduced central and peripheral expression of NF-κB (P < 0.05) and iNOS (P < 0.01 ‐ 0.0001) after ketamine-perampanel polypharmacy. The TBI-imparted alteration in plasma metabolites was restored by drug combination as evidenced by metabolomic studies. The outcomes were fruitful with ketamine, but the combination therapy proved more significant in improving all studied parameters. The benefits of this new investigated polypharmacy might be due to their antiglutamatergic, antioxidant, and neuroprotective capacity. [ABSTRACT FROM AUTHOR]

Some new functionalized 2-selenoxodihydropyrimidines 1–6 were synthesized in good yields via a simple one-pot reaction. The simple method depended on the reaction of selenourea with some nitrile active methylene compounds under basic-catalyzed conditions. Also, treatment of selenourea with each of malononitrile and ethyl cyanoacetate in the presence of benzaldehyde under the same basic reaction conditions afforded the 2-selenoxopyrimidine-5-carbonitriles 7 and 8, respectively. Furthermore, selenourea reacted with benzaldehyde and different β-dicarbonyl compounds under Biginelli reaction conditions to afford the 2-selenoxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates 10, 11 and 13. Using acetylacetone as a substrate in Biginelli reaction yielded the unexpected 5-benzylidene-4,6-dimethyl-pyrimidine-2(5H)-selenone (14). The structures of the synthesized compounds were established on the basis of elemental analysis, IR, 1H- and 13C-NMR and mass spectral data. [ABSTRACT FROM AUTHOR]

Novel chromenyl α-aminophosphonic acid 4 and dialkyl chromenyl phosphonate 6 have been obtained. In addition, some novel types of chromene fused with phosphorus heterocycles such as chromeno[4,3-c][1,2]azaphospholes 5 and 7, chromeno[2,3-d][1,3,2]diazaphosphinine 8 and 1,2-oxaphosphinino[3,4-c]pyridine 10 have been synthesized. The methodology depended on treatment of 2-imino-2H-chromene-3-carboxamide (1) with some phosphorus esters. The synthesized compounds were evaluated for antioxidant and cytotoxic activities. Among the synthesized compounds, compound 5 exhibited the most antioxidant activity with IC50 = 2.8 μg/mL in comparison with ascorbic acid as standard antioxidant. Also, compound 5 had significant cytotoxic effects against four cancer cell lines. Its IC50 values ranged between 4.96 and 7.44 μg/mL in comparison to doxorubicin (IC50 = 0.426–0.493 μg/mL). [ABSTRACT FROM AUTHOR]

A novel series of coumarin‐pyrazole‐thiazoles hybrids was designed. The methodology depended on a simple condensation reaction of 3‐(2‐oxo‐2H‐chromen‐3‐yl)‐1‐phenyl‐1H‐pyrazole‐4‐carboxaldehyde with a variety of thiazole compounds having amino or active methylene groups. In addition, another series of 1‐(thiazol‐2‐yl)‐3‐(2‐oxo‐2H‐chromen‐3‐yl)‐1H‐pyrazole‐4‐carboxaldehydes was also achieved by applying Vilsmeier‐Haack formylation on 3‐[1‐(2‐(thiazol‐2‐yl)hydrazineylidene]ethyl)‐2H‐chromen‐2‐ones. The obtained products were verified by spectral techniques such as IR, NMR, and mass spectra. To screen their abilities to inhibit cancer cell growth, these compounds were investigated against three tumor cell lines (MCF‐7, HepG2, and HCT116) using a standard method called SRB. The products 3 e, 7 b, 12 c and 14 a have considerable cytotoxic effects comparable to Doxorubicin. These products caused significant cell death by late apoptosis in all tumor cell lines. Furthermore, they preferentially induced G2 cell cycle arrest in MCF‐7 and HepG2 cells, while causing G1 cell cycle arrest in HCT116 cells. The molecular docking of these bioactive products showed good binding affinities with Cyclin‐dependent kinase 8 (CDK‐8). The ADMET‐predicted drug‐likeness properties of these bioactive compounds enable them to can used as promising anticancer agents. [ABSTRACT FROM AUTHOR]

New 2,6-bis(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetraone (2Tris@PMDA) and its polymeric hybrids with Anderson polyoxometalates (DiTA@PMDA) and with Lindquist polyoxometalates (DiTL@PMDA) have been synthesized and thoroughly characterized. Using dr. Blade's approach, TiO2 based thin films of 2Tris@PMDA, DiTA@PMDA, and DiTL@PMDA have been designed to explore the adsorption study, optical activity, and photocurrent generation. The calculated electrical conductivity values for 2Tris@PMDA, DiTA@PMDA and DiTL@PMDA were 2.8 × 103 S/m−1.90 × 103 S/m, 2.7 × 103 S/m−1.7 × 103 S/m, and 2 × 103 S/m−1.65 ×103 S/m, respectively. Furthermore, computational analysis for 2Tris@PMDA, DiTA@PMDA, and DiTL@PMDA has been studied at B3LYP using 6-31 G (d, p) and LanL2DZ level of density functional theory. It indicates that the conjugation of 2Tris@PMDA with polyoxometalates makes them a suitable candidate for dye sensitized solar cell due to the charge transfer process in DiTA@PMDA and DiTL@PMDA. [ABSTRACT FROM AUTHOR]

[Display omitted] • Triazine based sensor displayed excellent selectivity for sequential detection of Hg2+ and L-Cysteine. • Sensor was deployed for the detection of Hg2+ and Cys in real samples (industrial water, whitening creams and milk). • Detection of Hg2+ was based on chelation enhanced fluorescence (CHEF) and inhibition of ICT. • Extensive DFT calculations supported the plausible sensing mechanisms and nature of interactions. Triazine based fluorescent sensor TBT was rationally designed and synthesized to achieve sequential detection of Hg2+ and L-cysteine based on the presence of sulfur moiety and suitable cavity in the molecule. Sensor TBT exhibited excellent sensing potential for the selective detection of Hg2+ ions and L-cysteine (Cys) in real samples. Upon addition of Hg2+ to sensor TBT , enhancement in emission intensity of sensor TBT was observed which was accredited to the presence of sulfur moiety and size of cavity in the sensor. Upon interaction with Hg2+ blockage of intramolecular charge transfer (ICT) along with chelation-enhanced fluorescence (CHEF) resulted in the increase in fluorescence emission intensity of sensor TBT. Further, TBT -Hg2+ complex was employed for the selective detection of Cys through fluorescence quenching mechanism. This was attributed to the significantly stronger interaction of Cys with Hg2+, which resulted in the formation of Cys-Hg2+ complex and subsequently sensor TBT was released from TBT -Hg2+ complex. The nature of interaction between TBT -Hg2+ and Cys-Hg2+ complex was evaluated through 1H NMR titration experimentations. Extensive DFT studies were also carried out which include thermodynamic stability, frontier molecular orbitals (FMO), density of states (DOS), non-covalent interaction (NCI), quantum theory of atom in molecule (QTAIM), electron density differences (EDD) and natural bond orbital (NBO) analyses. All the studies supported the non-covalent type of interaction between analytes and sensor TBT. The limit of detection for Hg2+ ions was found to be as low as 61.9 nM. Sensor TBT was also employed for the quantitative detection of Hg2+ and Cys in real samples. Additionally, logic gate was fabricated by using sequential detection strategy. [ABSTRACT FROM AUTHOR]

We demonstrate a very eco-friendly and single-step catalytic method for the highly selective synthesis of 1,2,3,4,5,6,7,8-octahydroacridine (OHA) by the vapour phase aminocyclization of cyclohexanone (Cy＝O) with a mixture of formaldehyde (HCHO) and ammonia (NH3) over mesoporous bimetallic ZnAlMCM-41 (ZnAl-41) molecular sieves as efficient catalysts, which were synthesised by a simple basic hydrothermal method. To find optimum parameters for the synthesis of OHA, different reaction parameters, such as temperature, time on stream (TOS), weight hourly space velocity (WHSV), and feed molar ratios of Cy＝O : HCHO : NH3, have been extensively studied. The used ZnAl-41 catalysts were treated by washing and calcination to recover the recyclable catalysts which were then reused in these reactions to study their catalytic abilities. To selectively synthesize a variety of pyridine compounds, the active mesoporous catalysts, namely, ZnAl-41(75) and recyclable ZnAl-41(75), with different reaction parameters, were extensively used in the vapour phase aminocyclization reaction with different aldehydes and cycloketones, and produced excellent product selectivities, e.g., 9-alkyl substituted octahydroacridines (9-ASOHAs) and diannelated pyridines (DAPs), with good ketone conversions. In this catalytic reaction, OHA, 9-ASOHAs and DAPs are the main products and are important as starting materials in the preparation of biologically active compounds, drugs, dyes and alkaloids. It is shown by our remarkable catalytic results that the ZnAl-41(75) catalyst, as an environmentally friendly heterogeneous catalyst, has outstanding catalytic activity in the production of OHA, 9-ASOHAs and DAPs by a single-step synthetic method. [ABSTRACT FROM AUTHOR]

Novel chromeno[2,3‐d]pyrimidinyl and bis(chromeno[2,3‐d]pyrimidinyl)phosphines and chromeno[2′,3′:4,5]pyrimido[2,1‐d][1,3,5,2]triazaphosphinine were obtained in a simple one‐pot procedure via treatment of 2‐imino‐2H‐chromene‐3‐carboxamide with phenyl phosphorus isothiocyanates. Possible reaction mechanisms were proposed. The structures of the obtained products were confirmed by elemental analyses and spectral tools. [ABSTRACT FROM AUTHOR]

The major product, 2,3,5-trimethyl-1,4-benzophenone (TMB=O), was synthesised by an eco-friendly liquid-phase oxidation of 2,3,6-trimethylphenol (TMP-OH) over Cu(ii)-containing propylsalicylaldimine (CSA) functionalized mesoporous solid catalysts, namely, CSASBA-15(0.2), CSASBA-15(0.1) and CSAMCM-41(0.2), synthesized using various amounts of copper in a simple post-grafting method using different mesoporous silica materials, e.g., thick-silica walled SBA-15 and thin-silica walled MCM-41. The benzoquinones, i.e., 2,6-disubstituted p-benzoquinones (DSBQs), were also synthesised by the slurry-phase oxidation of di/tri-substituted phenols using the prepared catalysts. A promising chemical treatment was used for the removal of extra-framework copper species from the active surface of CSASBA-15(0.2), and the catalytic activity of the recovered catalyst, i.e. green mesoporous CSASBA-15(0.2) or W-CSASBA-15(0.2), was evaluated. Various reaction parameters, oxidants and solvents were used in this catalytic oxidation. To confirm the catalytic stability, recyclability and hot-catalytic filtration experiments were performed. On the basis of all catalytic results, it is worth noting that the mesoporous CSASBA-15(0.2) is an outstanding and a promising heterogeneous catalyst for the selective synthesis of TMB=O and DSBQs, and produces 98% TMB=O selectivity with 100% TMP-OH conversion at 353 K for 40 min and 97–99% DSBQ selectivity with 98–100% di/tri-substituted phenols conversion at 330 K for 1–3 h. The green mesoporous catalyst has unprecedented catalytic activity compared with that of other CSA functionalized mesoporous solid catalysts. [ABSTRACT FROM AUTHOR]

The chemical reactivity of 3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one (1) towards some phosphorus reagents was studied. The enaminone 1 was cyclized into diethyl 2-phosphonochromone 2 via its treatment with diethyl phosphite in basic medium. However, its reaction with triethoxy phosphonoacetate gave the substituted pyrone phosphonate 3. In addition, two novel examples of 4-(dimethylamino)-6-(2-hydroxyphenyl)-2-sulfido-4H-1,3,2-oxathia-phosphinines 6 and 7 were obtained from treatment of enaminone 1 with O,O-diethyl dithiophosphoric acid and Lawesson's reagent. When enaminone 1 was also treated with phosphorus decasulfide, it was turned into 4H-thiochromene-4-thione while its treatment with phosphorus tribromide, phosphorus oxychloride, or phenylphosphonic dichloride, 4H-4-oxo-chromene was isolated in all cases. The possible reaction mechanisms of the formation of these products were discussed. The structures of newly isolated products were established by elemental analysis and spectral tools. [ABSTRACT FROM AUTHOR]

Abstract A simple hydrazine carboxamide derivative with intramolecular charge transfer and aggregation induced emission (AIE) properties have been designed and synthesized. The derivative (Probe 1) shows typical AIE characteristic emission in THF-water mixtures and emits yellowish orange color on reaching the water fraction 98%. The probe molecule show selective sensing response for Cu2+ ions via fluorescence turn-off mechanism in aqueous media over other metal ions. The emission changes towards Cu2+ ions that could be clearly observed by the naked eyes under 365 nm UV lamp promote the probe molecule as a promising candidate for practical utilization. Furthermore, from the fluorescence titration data, the detection limit for Cu2+ ions was found to be 0.44 μM. Graphical abstract Unlabelled Image Highlights • A simple caboxamide derivative displaying aggregation induced emission has been synthesized. • It can act as fluorescent probe for Cu2+ions. • The sensing ability of the derivative could be visualized using 365 nm UV lamp. [ABSTRACT FROM AUTHOR]

Abstract In this work, nanostructured methyl violet-10B (MV-10B) thin films of various thicknesses were coated on glass substrates by a low-cost spin coating method at different rpm. The structural analysis of nanostructured MV-10B thin films was carried out by X-ray diffraction and atomic force microscope. Optical measurements were carried out, and the direct band gap of MV-10B films was estimated. The study showed that the prepared MV-10B thin films act in the same manner as that of conventional direct bandgap semiconductors. From optical studies, the sample exhibited bandpass filter characteristics in IR range from 700 nm to 900 nm and in the visible range centered around 408 nm. Also, the sample absorbs or attenuates the range of wavelengths in the visible spectrum between 470 and 650 nm creating a good absorption band valley making a CUT-OFF laser filter. Optical constants such as refractive index (n) and extinction coefficient (k) were computed using Kramers–Kronig relations. The real and imaginary components of dielectric constant were calculated on the basis of polarization of light when it is impinging on semiconductors. Nonlinear index of refraction and susceptibilities were estimated by linear refractive index dispersion principles. Optical limiting studies showed that the MV-10B thin films are very good optical limiters even at low thickness. The MV-10B showed a laser attenuation behavior for He-Ne and green lasers. The obtained results suggest that the newly designed thin films are the promising candidate in different applications. Highlights • Nanostructured methyl violet-10B (MV-10B) thin films of various thicknesses were coated on glass substrates. • Kramers–Kronig relations were used to calculating the linear and nonlinear parameters of MV-10B thin films. • MV-10B thin films exhibited bandpass filter characteristics in IR range from 700 nm to 900 nm. • MV-10B thin films attenuate the He-Ne laser beam. • MV-10B can be used as CUT-OFF laser filter and laser power attenuations. [ABSTRACT FROM AUTHOR]

[Display omitted] • Fluorescent probe showed superior fluorescence enhancement based sensing performance for H 2 O 2 with a LOD of 10 nM. • A unique sensing approach based on geometry dependent restrictions in probe's intramolecular vibrations is proposed. • Sensing mechanism was elaborated through DFT calculations and 1H NMR titration. • Probe displayed great potential for H 2 O 2 vapors and determination of H 2 O 2 in real samples. Hydrogen peroxide (H 2 O 2) is a harmful chemical used as a signature compound in forming easily synthesizable peroxide-based explosives. Therefore, detecting H 2 O 2 vapors and solutions is imperative to avoid terroristic activities. Aggregation induced emission enhancement (AIEE) active probe PAT detected H 2 O 2 based on geometry-dependent hydrogen bonding. Unlike frequently reported fluorescent probes, probe PAT exhibited a strong fluorescence emission enhancement response for H 2 O 2 due to restrictions in intramolecular vibrations of probe. This unique sensing phenomenon enhances our probe's versatility and potential applications in the selective and sensitive detection of H 2 O 2. 1H NMR titration experiments and extensive density functional theory (DFT) calculations explained the distinct sensing mechanism. As a result of efficient interaction, probe could detect H 2 O 2 with critical features of excellent selectivity, nanoscale level detection (LOD; 10 nM), fast response (20 sec.), and distinguished photostability. Conveniently, probe PAT -embedded fluorescent strips were successfully employed as a portable sensing tool for rapidly recognizing H 2 O 2 vapors. Moreover, probe PAT was also capable of H 2 O 2 determination in industrial water, orange juice, milk samples and commercially available products. Therefore, our probe holds promising features for trace detection of H 2 O 2 in vapor and solution phase that make it highly useful. [ABSTRACT FROM AUTHOR]

[Display omitted] • A TPA based sensor was successfully synthesized which exhibited aggregation induced emission enhancement (AIEE) property. • The AIEE active sensor displayed selective and sensitive quenching response towards 4-NP. • The excellent selectivity of sensor against 4-NP was ascribed to PET process. • The sensor was successfully employed for detection of 4-NP in real water samples. • Extensive DFT studies were performed that supported non-covalent interaction. A triphenylamine (TPA) based fluorescent sensor T-TPA was elaborately designed which exhibited high quantum yield (QY). The sensor T-TPA displayed aggregation induced emission enhancement (AIEE) character that was confirmed by dynamic light scattering (DLS) analysis. The AIEE active π-electron rich sensor bearing thiourea moiety was employed for the detection of 4-nitrophenol (4-NP) in solution as well as vapor phase. In solution, sensor displayed fluorescence "turn-off" response towards 4-NP that was attributed to photoinduced electron transfer (PET). The quenching response of sensor T-TPA against 4-NP was highly selective even in the presence of higher concentration of interferences. The mechanistic approach for 4-NP sensing was confirmed through 1H NMR titration experiment, UV– Vis absorption spectroscopy, dynamic light scattering (DLS), and density functional theory (DFT) methodologies. Moreover, non-covalent interaction (NCI) and Bader's quantum theory of atoms in molecules (QTAIM) analysis was performed to support the presence of non-covalent interactions. Furthermore, the sensor was employed for the detection of 4-NP in industrial waste and lake water samples. Additionally, sensor coated paper strips were prepared to do the contact mode detection of 4-NP. Finally, the fluorescence quenching response of sensor was used for the fabrication of logic gate. [ABSTRACT FROM AUTHOR]

The synthesis of some novel chromonyl and pyrazolyl α-aminophosphonates containing a quinazolinone ring was carried out by applying Pudovik and Kabachnik-Fields reactions under solvent- and catalyst-free conditions. The anticancer activities of these compounds were evaluated against five cancer cell lines. 3-{[(3-Phenyl/1,3-diphenyl-1H-pyrazol-4-yl)methylidene]amino}-2-phenyl-quinazolin-4(3H)-ones (3d,e) and diethyl {[3-phenyl/1,3-diphenyl-1H-pyrazol-4-yl][(4-oxo-2-phenyl-quinazolin-3(4H) yl)amino] methyl}phosphonates (4d,e) displayed the potent anticancer activities against HCT116, MCF-7 and HepG2 cell lines in comparison with the standard drug. [ABSTRACT FROM AUTHOR]

Some novel phosphines, aminophosphines and their oxides, and derived phosphorus acids bearing 4‐oxo‐2‐phenylquinazolin‐3‐yl moiety were synthesized. The methodology depended on the reaction of each 2‐phenylquinazolin‐4(3H)‐one (1) and 3‐amino‐2‐phenyl‐quinazolin‐4(3H)‐one (2) with (Ph)2PCl, PhPCl2, and PhP (O)Cl2 in different ratios. The synthesized compounds were characterized by elemental analysis and spectral tools. [ABSTRACT FROM AUTHOR]

An efficient and facile synthetic approach towards a series of novel 3-phenyl-2-oxido/sulfido-2,3-dihydro-1,3,4,2-benzoxadiazaphosphepines 2-7 was described. The method depended on the cyclocondensation of equimolar ratios of salicylaldehyde phenylhydrazone (1) with different examples of phosphorus halides and phosphorus sulfides in toluene containing triethylamine as a catalyst. In the same manner, the fusion of salicylaldehyde phenylhydrazone (1) with triethyl phosphate in the presence of DBU afforded the 2-ethoxy-1,3,4,2-benzoxa-diazaphosphepine 8, while a fusion of compound 1 with diethyl phosphite and tris(2-chloroethyl)phosphite led to the formation of new examples of 1,2-benzoxaphospholes 9 and 10, respectively. Interestingly, the reaction of compound 1 with diethyl ethoxycarbonyl phosphonate in ethanol containing DBU as a catalyst furnished the chromeno[3,4-d][1,2,3]diazaphosphole derivative 12 as a regioselective product. [ABSTRACT FROM AUTHOR]

Due to the unique structures of helicenes, we aim to probe their prospective as proficient optoelectronic and charge transfer materials. With the intention to shed light on both at the molecular and bulk levels various properties of interest have been studied. The optical (refractive indices, reflectivity, conductivity, absorption, dielectric constant and extinction coefficient) and electronic properties (total/partial density of states (T/PDOS) of some recently synthesized diquaternary salts of 4,4′-bipyridine helical viologens, i.e., 5,10-dimethyl-5,10-diaza[5]helicene bis-tetrafluoroborate 1 2+ (Compound 1 ) and 3,8-dimethyl-3,8-diaza[5]helicene bis-tetrafluoroborate 2 2+ (Compound 2 ) at the bulk level in solid-state have been reflected. The balanced values of hole and electron electronic coupling ( V h and V e ) for compound 1 disclose that it might be good ambipolar material. For Compound 2 V e is greater than V h enlightening that it might be good electron transfer contender. Furthermore, the electronic, photophysical (absorption, fluorescence, phosphorescence) and charge transfer properties (ionization potential (IP), electron affinity (EA) and hole/electron reorganization energy (λ(h)/(e)) of their bipyridine precursors (Compound 3 and Compound 4 ) as well as redox partners of Compound 1 and Compound 2 which are neutral forms of 1 2+ and 2 2+ named Compound 5 and Compound 6 , respectively have been explored. The band gap, DOS, dielectric function, conductivity and refractive indices, IP, EA and λ(h)/(e) values revealed that these diaza[5]helicenes would be good contenders to be used in semiconductor devices. The dielectric functions also revealed that Compounds 1 and 2 retain energy holding ability which these systems absorb. It is also expected that absorption capability of photons would be enhanced in studied compounds especially Compounds 5 and 6 having narrow band gaps. [ABSTRACT FROM AUTHOR]

Background: Obstructive sleep apnea is a chronic morbid condition characterized by frequent attacks of upper airway collapse during sleep leading to interrupted sleep cycle and daytime fatigue. Objectives: Assessment of the most affected group of adults by obstructive sleep apnea disorder in western area of Saudi Arabia and help them to get a good quality of life. Methods: Cross sectional study involving 214 adults with age between 18 and 80 years old in the western area of Kingdom of Saudi Arabia. Results: There was no relationship between specific genders with high risk of OSA, while there was strong relationship between participants from male gender with low risk of OSA. Also, there was no relationship between age and high risk of having OSA among our participants. In addition, there is no relationship between age and low risk of having OSA among our participants. There was a relationship between overweight participants from both gender and high risk of having OSA, while there was relationship between underweight participants from both gender and low risk of having OSA. Conclusion: Our study showed that around 28% of populations are in high risk group of having OSA. Also, sleep apnea in older patients is less severe than sleep apnea in the young. [ABSTRACT FROM AUTHOR]

[Display omitted] • Easily synthesizable thiourea functionalized probes SH1 and SH2 were used for the detection of ClO−. • Nanoscale detection of ClO− was achieved through desulfurization reaction of probes. • Blue shift (≥100 nm) in the fluorescence emission of probes after addition of ClO− evidently supports the chemical change. • Probe SH1 displayed excellent response towards ClO− in biological system and blood serum. • Probes coated fluorescent films were fabricated. Being one of the vital reactive oxygen species (ROS), abnormal level of hypochlorite ion (ClO−) may pose detrimental threats to living organisms. Therefore, highly selective, and rapid monitoring of ClO− in living system is of prime importance to protect living organisms from its harmful effects. In this regard, design of synthetic fluorescent probes for ClO− has garnered considerable attention. However less fluorescence emission in aggregated state and less photostability of several existing probes for ClO− inspired us to design aggregation induced emission (AIE) active fluorescent probes SH1 and SH2. Probes were rationally designed by introducing thiourea moiety that selectively reacted through desulfurization reaction and resulted in highly selective detection of ClO−. Hypochlorite induced desulfurization reaction was validated through 1H NMR titration and DFT studies. Fine tuning of probes SH1 and SH2 prompted highly sensitive nanoscale (55 nM and 77 nM) and rapid (15 and 35 sec) detection of ClO−. Probe SH1 displayed less cytotoxic effect to live cells before it was successfully applied for bioimaging of ClO− in live MCF-7 cells. Moreover, probes displayed excellent sensing potential for ClO− in blood serum and real water samples. Advantageously, probe coated portable fluorescent films were fabricated for the easy and fast monitoring of ClO−. Of note, this work offers excellent design strategy for highly selective detection of ClO− that may lead to clinical trials. [ABSTRACT FROM AUTHOR]

Background Chronic ethanol (EtOH) consumption is a major cause of liver disease worldwide. Oxidative stress is a known consequence of EtOH metabolism and is thought to contribute significantly to alcoholic liver disease (ALD). Therefore, elucidating pathways leading to sustained oxidative stress and downstream redox imbalances may reveal how EtOH consumption leads to ALD. Recent studies suggest that EtOH metabolism impacts mitochondrial antioxidant processes through a number of proteomic alterations, including hyperacetylation of key antioxidant proteins. Methods To elucidate mechanisms of EtOH-induced hepatic oxidative stress, we investigate a role for protein hyperacetylation in modulating mitochondrial superoxide dismutase (SOD2) structure and function in a 6-week Lieber-DeCarli murine model of EtOH consumption. Our experimental approach includes immunoblotting immunohistochemistry (IHC), activity assays, mass spectrometry, and in silico modeling. Results We found that EtOH metabolism significantly increased the acetylation of SOD2 at 2 functionally relevant lysine sites, K68 and K122, resulting in a 40% decrease in enzyme activity while overall SOD2 abundance was unchanged. In vitro studies also reveal which lysine residues are more susceptible to acetylation. IHC analysis demonstrates that SOD2 hyperacetylation occurs near zone 3 within the liver, which is the main EtOH-metabolizing region of the liver. Conclusions Overall, the findings presented in this study support a role for EtOH-induced lysine acetylation as an adverse posttranslational modification within the mitochondria that directly impacts SOD2 charge state and activity. Last, the data presented here indicate that protein hyperacetylation may be a major factor contributing to an imbalance in hepatic redox homeostasis due to chronic EtOH metabolism. [ABSTRACT FROM AUTHOR]

[Display omitted] • Two fluorescent probes were developed for the detection of hypochlorite (ClO−) with detection limit down to nanomolar (nM). • Different sensing mechanisms were involved based on the structural attributes of probes. • Probe 1 was successfully employed for the monitoring of exogenous ClO− in food and environmental samples. • Probe 1 coated paper strips provided portable method for solid supported detection of ClO−. Being one of the important reactive oxygen species (ROS), hypochlorite ions (ClO−) are involved in the control of several pathological and physiological processes. However, overexpression of ClO− may prompt several disorders including cancer. Therefore, two fluorescein functionalized compounds with catechol (probe 1) and 2-naphthyl (probe 2) as substituents were synthesized through Schiff base reaction to recognize ClO− in food items and industrial samples. While probe 2 exhibited turn-off fluorescent response towards ClO− with limit of detection (LOD) of 86.7 nM, structurally alike probe 1 showed excellent ratiometric response with low detection limit (36.3 nM), large Stokes shift (353 nm), and 'fast' response time (15 s). 1H NMR titration experiments favored spiroring opening of probe 1 upon the reaction with ClO−. Probe 1 was successfully utilized for the monitoring of exogenous ClO− in industrial samples. Further, fabrication of probe coated fluorescent paper strips and recognition of ClO− in sprouting potato show diverse practical applicability of our probes. [ABSTRACT FROM AUTHOR]

[Display omitted] • Triphenylamine (TPA) based fluorophores TPA 1 and TPA 2 were synthesized and characterized. • These fluorophores exhibited solvatochromism and aggregation induced emission enhancements (AIEE) properties. • AIEE active sensors TPA 1 and TPA 2 were successfully employed for the optical and theoretical detection of iron ions. • Fluorescence sensing mechanism was supported through 1H NMR titration experiment. • MTT assay was accomplished to examine the cell viability of the proposed sensors. • Practical applications were also developed for the real time monitoring of the iron. Iron is an essential microelement and the most abundant transition metal in humans that catalyzes different crucial metabolisms. It also has broader industrial applications as a precursor for the manufacturing of different domestic products. However, its excess in the biological and environmental matrixes induce adverse health effects. Considering the significant role of the iron in numerous biological processes and environmental safety threats, immediate sensing of iron in a complex system is inevitably pivotal. In the pursuit of these concerns, two efficient solvatochromic and AIEE active TPA based sensors TPA 1 and TPA 2 were critically designed and synthesized for the development of efficient sensing materials. The proposed sensors TPA 1 and TPA 2 were exploited as an easy-to-apply platform for the sensitive and selective optical tracing of the iron (Fe (II)) in aqueous media (H 2 O/THF; 4:1, v/v) through sensor–metal chelation induced fluorescence quenching (CHEQ) mechanism with LOD down to 15 and 19 nM, respectively. The optical investigations were validated through 1H NMR titration, extensive theoretical studies, and Jobs plot experiment. Further, AIEEgens were advantageously utilized to establish the ready-to-use and hand-held fluorescent kits for the solid state Fe (II) trailing. The spike-recovery experiments were executed to quantify Fe (II) in wheat flour and real water samples. Besides, the practical applicability potential of the designed sensors was explored by executing MTT assay and monitoring of the Fe (II) in blood serum samples. Additionally, a logic circuit was rationally fabricated for the digital on-field sensing of Fe (II). To the best of our knowledge, these are the first TPA based compounds with fabulous structural simplicity, and startling practical applicability as sensitive iron sensors. [ABSTRACT FROM AUTHOR]

Novel diethyl (4‐oxo‐3,4‐dihydro‐2H‐chromeno[2,3‐d]pyrimidin‐2‐yl)phosphonate as two enantiomers and diethyl (4‐oxo‐1,5‐dihydro‐4H‐chromeno[2,3‐d]pyrimidin‐5‐yl) phosphonate were obtained in easy procedure via reaction of 2‐imino‐2H‐chromene‐3‐carboxamide, dimethylformamide dimethyl‐acetal, and diethyl phosphite in a simple one pot. Possible reaction mechanisms were proposed. The structures of the obtained products were confirmed by elemental analyses and spectral tools. [ABSTRACT FROM AUTHOR]

Stimuli responsive sensors QI 1 and QI 2 were rationally developed which exhibited diverse features of mutable mechanofluorochromism, reversible photochromism, solvatochromism, aggregation induced emission enhancement (AIEE), and metal ion sensing. After observing the exceptional structural property relationship, sensors were applied for reversible colorimetric and fluorometric determination of Ni2+ with low detection limits of 12 and 17 nM, respectively. Fluorescence emission enhancement based Ni2+ sensing was induced by chelation enhanced fluorescence (CHEF) mechanism. CHEF is triggered by the inhibition of excited state intramolecular proton transfer (ESIPT) and –C=N isomerization. The proposed Ni2+ sensing mechanism was investigated through 1H NMR, FT-IR titration, theoretical studies, and Jobs plots. Further, the developed sensors successfully demonstrated the selective acid-base induced absorption/emission switching through reversible ring-opening/closing and keto–enol tautomerization, evidenced by 1H NMR titration experiments. Additionally, the sensitivity of the sensor QI 1 towards Ni2+ was effectively mimicked in live MCF-7 cells and industrial effluents. Furthermore, monitoring of Ni2+ ions was also accessed through inexpensive and portable sensors' coated fluorescent films. Finally, an INHIBIT logic gate was fabricated imputing Ni2+ and EDTA as input signals to electronically scrutinize the targeted Ni2+. [Display omitted] • Fluorescein based sensors displayed mechanofluorochromism, photochromism, and AIEE characters. • Sensors can simultaneously detect TFA/NaOH through fluorescence emission enhancement response. • Sensors exhibited fluorescence enhancement based detection of Ni2+ in living cells and real water samples. • Detection of Ni2+ was achieved through chelation enhanced fluorescence (CHEF) and inhibition of ESIPT and C=N isomerization. [ABSTRACT FROM AUTHOR]

[Display omitted] • Branched cyclic polyglycidol is generated in gram amounts in a single step. • Significant chain growth occurs at high monomer conversion in bulk conditions. • Addition of small volumes of solvents conduct to changes in the molecular weight. • The glass transition temperature is dominated by branching. B(C 6 F 5) 3 is a strong electrophilic catalyst that promote the ring-opening polymerization of a number of epoxides via the formation of zwitterionic growing chains. Cyclic chains frequently are the major component of the reaction, which makes this synthetic route a viable strategy for the generation of cyclic polyethers in large quantities. We present a systematic study on the bulk and quasi-bulk polymerization of glycidol with B(C 6 F 5) 3 , including kinetic experiments that evidences an abrupt chain growth at high monomer conversions. Ring fusion and branching mechanisms are invoked to explain such phenomenology. Branched cyclic polyglycidols (bcPG) are the major compounds with M n up to 8 kg/mol and Ð ∼ 2. The glass transition temperature of bcPG exhibits lower values than that of reference linear PG samples likely associated to the dominating effect of branches. [ABSTRACT FROM AUTHOR]