Synthesis of N-acylated pyrazolines: Spectroscopic, crystallographic, Hirshfeld Surface, lead sensing and theoretical studies

[1]  A. Elhadad,et al.  Thermal kinetics and molecular modeling studies of ZnII-poly (vinyl alcohol-nicotinic acid) complexes , 2023, Journal of Molecular Structure.

[2]  A. El-Agrody,et al.  Discovery of benzochromene derivatives first example with dual cytotoxic activity against the resistant cancer cell MCF-7/ADR and inhibitory effect of the P-glycoprotein expression levels , 2023, Journal of enzyme inhibition and medicinal chemistry.

[3]  M. M. Rahman,et al.  Chitosan–Cu Catalyzed Novel Ferrocenated Spiropyrrolidines: Green Synthesis, Single Crystal X-ray Diffraction, Hirshfeld Surface and Antibacterial Studies , 2023, Polymers.

[4]  A. Amr,et al.  Synthesis, Cytotoxic Activity, Crystal Structure, DFT, Molecular Docking Study of β-Enaminonitrile Incorporating 1H-Benzo[f]-Chromene Moiety , 2022, Crystals.

[5]  T. Sobahi,et al.  Green synthesis of Chromonyl Chalcone and Pyrazoline as Potential Antimicrobial Agents - DFT, Molecular Docking and Antimicrobial Studies , 2022, Journal of Molecular Structure.

[6]  Thikryat Neamatallah,et al.  Synthesis, Biological Evaluation, and Molecular Docking of New Benzimidazole-1,2,3-Triazole Hybrids as Antibacterial and Antitumor Agents , 2022, Polycyclic Aromatic Compounds.

[7]  M. Arshad,et al.  Chitosan Catalyzed Novel Piperidinium Dicoumarol: Green Synthesis, X-ray Diffraction, Hirshfeld Surface and DFT Studies , 2022, Polymers.

[8]  A. Amr,et al.  Synthesis, in vitro cytotoxic activity, crystal structure, DFT, molecular docking study of some heterocyclic compounds incorporating benzo[f]chromene moieties , 2022, Journal of Molecular Structure.

[9]  Salman A. Khan,et al.  Synthesis of N-Methylspiropyrrolidine Hybrids for Their Structural Characterization, Biological and Molecular Docking Studies , 2022, Polycyclic Aromatic Compounds.

[10]  Azizah M Malebari,et al.  Synthesis, antiproliferative, docking and DFT studies of benzimidazole derivatives as EGFR inhibitors , 2021, Journal of Molecular Structure.

[11]  A. Kazachenko,et al.  Non covalent interactions and molecular docking studies on morphine compound , 2021, Journal of King Saud University - Science.

[12]  O. Al-Dossary,et al.  Study of a new piperidone as an anti- Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method , 2021, Journal of King Saud University - Science.

[13]  Salman A. Khan,et al.  Synthesis, Characterization, Molecular Docking and Antimicrobial Activity of Novel Spiropyrrolidine Derivatives , 2021, Polycyclic Aromatic Compounds.

[14]  Salman A. Khan,et al.  Design and synthesis of novel pyrazoline derivatives for their spectroscopic, single crystal X-ray and biological studies , 2021, Journal of Molecular Structure.

[15]  A. Kashyout,et al.  New carbazole-based organic dyes with different acceptors for dye-sensitized solar cells: Synthesis, characterization, dssc fabrications and density functional theory studies , 2021 .

[16]  Salman A. Khan,et al.  N-Trifluoroacetylated pyrazolines: Synthesis, characterization and antimicrobial studies. , 2020, Bioorganic chemistry.

[17]  O. Orun,et al.  Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4‐methoxy‐pyridine‐2‐carboxylic acid, molecular docking studies and investigation of their anti‐tumor effectsin vitro , 2020 .

[18]  Salman A. Khan,et al.  Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies , 2020 .

[19]  M. M. Alam,et al.  Surfactant-assisted graphene oxide/methylaniline nanocomposites for lead ionic sensor development for the environmental remediation in real sample matrices , 2019, International Journal of Environmental Science and Technology.

[20]  Salman A. Khan,et al.  Microwave assisted synthesis of chalcone and its polycyclic heterocyclic analogues as promising antibacterial agents: In vitro, in silico and DFT studies , 2019, Journal of Molecular Structure.

[21]  T. Roisnel,et al.  Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI) , 2019, Journal of Molecular Structure.

[22]  Christina Susan Abraham,et al.  Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach , 2019, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy.

[23]  Mohie E. M. Zayed,et al.  Fabrication of selective and sensitive Pb2+ detection by 2,2′-(−(1,2-phenylenebis(azaneylylidene))bis(methaneylylidene))diphenol by electrochemical approach for environmental remediation , 2019, Journal of Molecular Liquids.

[24]  Salman A. Khan,et al.  Physicochemical Investigation of HDDP Azomethine Dye as Turn-On Fluorescent Chemosensor for High Selectivity and Sensitivity of Al3+ Ions , 2018, Journal of Solution Chemistry.

[25]  B. Revathi,et al.  Topological analysis (BCP) of vibrational spectroscopic studies, docking, RDG, DSSC, Fukui functions and chemical reactivity of 2-methylphenylacetic acid. , 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[26]  S. Yildiz,et al.  Peripherally tetra-benzimidazole units-substituted zinc(II) phthalocyanines: Synthesis, characterization and investigation of photophysical and photochemical properties , 2018 .

[27]  Abdullah M. Asiri,et al.  Crystal structure of N ′-[( E )-(2-hydroxynaphthalen-1-yl) methylidene] benzenesulfonohydrazide (HNMBSH) and its application as Pb 2+ ion sensor by its fabrication onto glassy carbon electrode , 2017 .

[28]  T. Alizadeh,et al.  A new electrochemical sensing platform for Cr(III) determination based on nano-structured Cr(III)-imprinted polymer-modified carbon composite electrode , 2017 .

[29]  A. Asiri,et al.  Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: A combined experimental and theoretical study , 2017 .

[30]  A. Barison,et al.  Spectroscopic investigation, vibrational assignments, HOMO-LUMO, NBO, MEP analysis and molecular docking studies of oxoaporphine alkaloid liriodenine. , 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[31]  M. Karabacak,et al.  Combined experimental and theoretical studies on the molecular structures, spectroscopy, and inhibitor activity of 3-(2-thienyl)acrylic acid through AIM, NBO,FT-IR, FT-Raman, UV and HOMO-LUMO analyses, and molecular docking , 2017 .

[32]  G. Zeng,et al.  Electrochemical DNA sensing strategy based on strengthening electronic conduction and a signal amplifier carrier of nanoAu/MCN composited nanomaterials for sensitive lead detection , 2016 .

[33]  A. S. Al-Bogami,et al.  Microwave assisted regioselective synthesis and 2D-NMR studies of novel azoles and azoloazines utilizing fluorine-containing building blocks , 2016 .

[34]  N. Dege,et al.  Synthesis, crystal structure analysis, spectral IR, NMR UV-Vis investigations, NBO and NLO of 2-benzoyl-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide with use of X-ray diffractions studies along with DFT calculations , 2016 .

[35]  P. Kannan,et al.  Synthesis and fluorescent properties of poly(arylpyrazoline)’s for organic-electronics , 2016 .

[36]  Abdullah M. Asiri,et al.  Lead sensors development and antimicrobial activities based on graphene oxide/carbon nanotube/poly(O-toluidine) nanocomposite. , 2016, International journal of biological macromolecules.

[37]  Surong Mei,et al.  Selective Solid-Phase Extraction of Lead Ions in Water Samples Using Three-Dimensional Ion-Imprinted Polymers. , 2016, Analytical chemistry.

[38]  P. Stephens,et al.  Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. , 2016, Cancer cell.

[39]  N. Dege,et al.  A novel 3-acetoxy-2-methyl-N-(4-methoxyphenyl)benzamide: Molecular structural describe, antioxidant activity with use X-ray diffractions and DFT calculations , 2015 .

[40]  C. Rubio,et al.  Dietary intake of metals from yogurts analyzed by inductively coupled plasma optical emission spectrometry (ICP-OES) , 2015 .

[41]  P. Kulkarni,et al.  Highly selective monitoring of metals by using ion-imprinted polymers , 2015, Environmental Science and Pollution Research.

[42]  A. Asiri,et al.  A SnO2-Sb2O3 nanocomposite for selective adsorption of lead ions from water samples prior to their determination by ICP-OES , 2015, Microchimica Acta.

[43]  G. Sheldrick.  SHELXT – Integrated space-group and crystal-structure determination , 2015, Acta crystallographica. Section A, Foundations and advances.

[44]  Abdullah M. Asiri,et al.  Low dimensional Ni-ZnO nanoparticles as marker of toxic lead ions for environmental remediation , 2014 .

[45]  Lingxin Chen,et al.  Novel Pb2+ ion imprinted polymers based on ionic interaction via synergy of dual functional monomers for selective solid-phase extraction of Pb2+ in water samples. , 2014, ACS applied materials & interfaces.

[46]  D. Avcı,et al.  An experimental and theoretical study on the novel (Z)-1-((naphthalen-2-ylamino)methylene)naphthalen-2(1H)-one crystal. , 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[47]  Abdullah M. Asiri,et al.  Selective detection of toxic Pb(II) ions based on wet-chemically prepared nanosheets integrated CuO–ZnO nanocomposites , 2013 .

[48]  H. Faidallah,et al.  Synthesis and biological evaluation of new barbituric and thiobarbituric acid fluoro analogs of benzenesulfonamides as antidiabetic and antibacterial agents , 2012 .

[49]  Julia Contreras-García,et al.  Revealing non-covalent interactions in solids: NCI plots revisited. , 2012, Physical chemistry chemical physics : PCCP.

[50]  Louis J. Farrugia,et al.  WinGX and ORTEP for Windows: an update , 2012 .

[51]  Juyoung Yoon,et al.  Fluorescent and colorimetric sensors for detection of lead, cadmium, and mercury ions. , 2012, Chemical Society reviews.

[52]  Tian Lu,et al.  Multiwfn: A multifunctional wavefunction analyzer , 2012, J. Comput. Chem..

[53]  V. Cerdà,et al.  Applicability of multisyringe chromatography coupled to cold-vapor atomic fluorescence spectrometry for mercury speciation analysis. , 2011, Analytica chimica acta.

[54]  Jong Seung Kim,et al.  Rhodamine-based chemosensing monolayers on glass as a facile fluorescent "turn-on" sensing film for selective detection of Pb2+. , 2011, Talanta.

[55]  C. Rao,et al.  A study of graphenes prepared by different methods: characterization, properties and solubilization , 2008 .

[56]  Z. Siddiqui,et al.  Synthesis and biological activity of heterocycles from chalcone , 2008, Medicinal Chemistry Research.

[57]  G. Henkelman,et al.  A fast and robust algorithm for Bader decomposition of charge density , 2006 .

[58]  N. Zanatta,et al.  Synthesis, 17O NMR spectroscopy and structure of 2-trifluoroacetyl-1-methoxycycloalkenes , 2005 .

[59]  Jaromir Ruzicka,et al.  Atomic absorption spectroscopy for mercury, automated by sequential injection and miniaturized in lab-on-valve system. , 2005, Analytical chemistry.

[60]  Suzhen Ren,et al.  Surface modification of sulfonated poly(ether ether ketone) membranes using Nafion solution for direct methanol fuel cells , 2005 .

[61]  Yuehe Lin,et al.  Voltammetric detection of lead(II) and mercury(II) using a carbon paste electrode modified with thiol self-assembled monolayer on mesoporous silica (SAMMS). , 2003, The Analyst.

[62]  C. Fahrni,et al.  Tuning the photoinduced electron-transfer thermodynamics in 1,3,5-triaryl-2-pyrazoline fluorophores: X-ray structures, photophysical characterization, computational analysis, and in vivo evaluation. , 2003, Journal of the American Chemical Society.

[63]  K. Murata,et al.  Subclinical neurophysiological effects of lead: A review on peripheral, central, and autonomic nervous system effects in lead workers. , 2000, American journal of industrial medicine.

[64]  Louis J. Farrugia,et al.  WinGX suite for small-molecule single-crystal crystallography , 1999 .

[65]  A. Katritzky,et al.  (Trifluoroacetyl)benzotriazole: A Convenient Trifluoroacetylating Reagent. , 1997, The Journal of organic chemistry.

[66]  J. Mann.  Modern methods for the introduction of fluorine into organic molecules: an approach to compounds with altered chemical and biological activities , 1988 .

[67]  P. Goldman.  The carbon-fluorine bond in compounds of biological interest. , 1969, Science.

[68]  A. Alhadhrami,et al.  Design, synthesis, anticancer activity and molecular docking studies of new benzimidazole derivatives bearing 1,3,4-oxadiazole moiety as potential thymidylate synthase inhibitors , 2022, New Journal of Chemistry.

[69]  A. Doroshenko,et al.  1,5-DIARYL-3-BENZIMIDAZOLYL-2-PYRAZOLINES AND PYRAZOLES – NOVEL FLUORESCENT DYES OF PYRAZOLINE FAMILY , 2017 .

[70]  Annemie Bogaerts,et al.  Atomic spectroscopy. , 2002, Analytical chemistry.

[71]  M. Haddad,et al.  The angular trifluoromethyl group. V. Total synthesis and biological properties of 14-dehydro-18,18,18-trifluoro-19-nortestosterone☆ , 1994 .