NDLI: Studies on chalcone derivatives: complex formation, thermal behavior, stability constant and antioxidant activity.

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Preparation and investigation of CaZr4(PO4)6:Dy(3+) single-phase full-color phosphor.

Vibrational spectroscopic investigation (FT-IR and FT-Raman) using ab initio (HF) and DFT (B3LYP) calculations of 3-ethoxymethyl-1,4-dihydroquinolin-4-one.

Synthesis, characterization and antibacterial activity of a tridentate Schiff base derived from cephalothin and sulfadiazine, and its transition metal complexes.

Growth, spectral, optical, thermal, surface analysis and third order nonlinear optical properties of an organic single crystal: 1-(2-Methyl-6-nitro-4-phenyl-3-quinolyl) ethanone.

Thermal annealing effect on the optical properties of Ag10As30S60 thin film.

A simple-structured acridine derivative as a fluorescent enhancement chemosensor for the detection of Pd2+ in aqueous media.

Impact of vanadium ions in barium borate glass.

Raman spectroscopic study of 'The Malatesta': a Renaissance painting?

MM and QM: conformational and vibrational spectra analysis of 2-hydroxyethyl acrylate.

Development of electrochemical folic acid sensor based on hydroxyapatite nanoparticles.

Spectroscopic study on the formation of DNA-Ag clusters and its application in temperature sensitive vehicles of DOX.

A vibrational spectroscopic study of the silicate mineral harmotome--(Ba,Na,K)1-2(Si,Al)8O16â 6H2O--a natural zeolite.

New metal complexes of N3 tridentate ligand: synthesis, spectral studies and biological activity.

Effects of essential oil treatments on the secondary protein structure of Vicia faba: a mid-infrared spectroscopic study supported by two-dimensional correlation analysis.

A TDDFT/EFP1 study on hydrogen bonding dynamics of coumarin 151 in water.

Highly selective and sensitive optical sensor for determination of Pb2+ and Hg2+ ions based on the covalent immobilization of dithizone on agarose membrane.

Molybdenum modified phosphate glasses studied by 31P MAS NMR and Raman spectroscopy.

Based on SERS conformational studies of ginsenoside Rb1 and its metabolites before and after combined with human serum albumin.

Synthesis, interaction with DNA and antiproliferative activities of two novel Cu(II) complexes with norcantharidin and benzimidazole derivatives.

Spectroscopic analyses on interaction of bovine serum albumin with novel spiro[cyclopropane-pyrrolizin].

Synthesis, characterization and anti-bacterial activities of pure and Co-doped BaSO4 nanoparticles via chemical precipitation route.

Photoinduced electron transfer between 2-methylanthraquinone and triethylamine in an ionic liquid: time-resolved EPR and transient absorption spectroscopy study.

Green synthesized conditions impacting on the reactivity of Fe NPs for the degradation of malachite green.

The effect of operational parameters on the photocatalytic degradation of Congo red organic dye using ZnO-CdS core-shell nano-structure coated on glass by Doctor Blade method.

Conformational stability, vibrational (FT-IR and FT-Raman) spectra and computational analysis of m-trifluoromethyl benzoic acid.

The conformational analysis of 2-halocyclooctanones.

Green synthesis and applications of Au-Ag bimetallic nanoparticles.

Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 5-tert-Butyl-6-chloro-N-[(4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Synthesis, characterization and in vitro antimicrobial studies of Co(II), Ni(II) and Cu(II) complexes derived from macrocyclic compartmental ligand.

Spectroscopic and molecular structure investigation of the phosphorus-containing G'2 dendrimer with terminal aldehyde groups using DFT method.

Novel porphyrin-daunomycin hybrids: synthesis and preferential binding to G-quadruplexes over i-motif.

Phytosynthesis of stable Au, Ag and Au-Ag alloy nanoparticles using J. sambac leaves extract, and their enhanced antimicrobial activity in presence of organic antimicrobials.

Novel axially carborane-cage substituted silicon phthalocyanine photosensitizer; synthesis, characterization and photophysicochemical properties.

Dual emission behavior of phenyleneethynylene gold(I) complexes dictated by intersystem crossing: a theoretical perspective.

Effect of annealing temperature on optical properties of binary zinc tin oxide nano-composite prepared by sol-gel route using simple precursors: structural and optical studies by DRS, FT-IR, XRD, FESEM investigations.

Theoretical spectroscopic studies and identification of metal-citrate (Cd and Pb) complexes by ESI-MS in aqueous solution.

One-step, room temperature, colorimetric melamine sensing using an in-situ formation of silver nanoparticles through modified Tollens process.

Rambutan peels promoted biomimetic synthesis of bioinspired zinc oxide nanochains for biomedical applications.

Dissection of the binding of hydrogen peroxide to trypsin using spectroscopic methods and molecular modeling.

A comparative photophysicochemical study of phthalocyanines encapsulated in core-shell silica nanoparticles.

Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline.

NBO, conformational, NLO, HOMO-LUMO, NMR and electronic spectral study on 1-phenyl-1-propanol by quantum computational methods.

Theoretical investigation on the non-linear optical properties, vibrational spectroscopy and frontier molecular orbital of (E)-2-cyano-3-(3-hydroxyphenyl)acrylamide molecule.

Application of hollow cylindrical wheat stem for electromembrane extraction of thorium in water samples.

Donor-acceptor binding interaction of 1-(naphthalene-1-yl)-2,4,5-triphenyl-1H-imidazole with semiconductor nanomaterials.

Enhancement in photocatalytic activity of NiO by supporting onto an Iranian clinoptilolite nano-particles of aqueous solution of cefuroxime pharmaceutical capsule.

Performance of Caesalpinia sappan heartwood extract as photo sensitizer for dye sensitized solar cells.

Two new heterodinuclear Schiff base complexes: synthesis, crystal structure and thermal studies.

Structural characterizations and intense green upconversion emission in Yb3+, Pr3+ co-doped Y2O3 nano-phosphor.

Structural characterization of titania by X-ray diffraction, photoacoustic, Raman spectroscopy and electron paramagnetic resonance spectroscopy.

Novel metal-organic photocatalysts: synthesis, characterization and decomposition of organic dyes.

Hyperpolarizability calculation and kinetic effect of impurities on LVP.

Crystal growth, characterization and theoretical studies of alkaline earth metal-doped tetrakis(thiourea)nickel(II) chloride.

Synthesis, spectral, crystal structure, thermal behavior, antimicrobial and DNA cleavage potential of two octahedral cadmium complexes: a supramolecular structure.

Impact of sediment characteristics on the heavy metal concentration and their ecological risk level of surface sediments of Vaigai river, Tamilnadu, India.

Superposition model study of Cr3+ doped tetra methyl ammonium cadmium chloride.

Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of mannitol.

Studies on chalcone derivatives: complex formation, thermal behavior, stability constant and antioxidant activity.

A dual approach to study the electro-optical properties of a noncentrosymmetric L-asparagine monohydrate.

Halogen vs hydrogen bonding in thiazoline-2-thione stabilization with σ- and π-electron acceptors adducts: theoretical and experimental study.

Novel pyrazoline-based fluorescent probe for detecting thiols and its application in cells.

Ionic liquid coated magnetic core/shell Fe3O4@SiO2 nanoparticles for the separation/analysis of linuron in food samples.

Simultaneous determination of a binary mixture of pantoprazole sodium and itopride hydrochloride by four spectrophotometric methods.

Study of luminescence, color and paramagnetic centers properties of albite.

Monodentate Schiff base ligands: their structural characterization, photoluminescence, anticancer, electrochemical and sensor properties.

Vibrational spectra of the two hydrates of strontium oxalate.

Highly selective colorimetric detection and estimation of Hg2+ at nano-molar concentration by silver nanoparticles in the presence of glutathione.

Two-photon fluorescent probe derived from naphthalimide for cysteine detection and imaging in living cells.

The origin and determination of silica types in the silica occurrences from Altintas region (Usak-Western Anatolia) using multianalytical techniques.

Solvents effect on the absorption and fluorescence spectra of 7-diethylamino-3-thenoylcoumarin: evaluation and correlation between solvatochromism and solvent polarity parameters.

Synthesis and characterization of new 2-cyano-2-(p-tolyl-hydrazono)-thioacetamide metal complexes and a study on their antimicrobial activities.

The crystal structure of sulfamethoxazole, interaction with DNA, DFT calculation, and molecular docking studies.

Molecular structure, vibrational spectral assignments, HOMO-LUMO, MESP, Mulliken analysis and thermodynamic properties of 2,6-xylenol and 2,5-dimethyl cyclohexanol based on DFT calculation.

Spectroscopic investigation (FT-IR, FT-Raman and SERS), vibrational assignments, HOMO-LUMO analysis and molecular docking study of Opipramol.

Vibrational spectroscopic and molecular docking study of 2-Benzylsulfanyl-4-[(4-methylphenyl)-sulfanyl]-6-pentylpyrimidine-5-carbonitrile, a potential chemotherapeutic agent.

Hg(II)-activated emission 'turn-on' chemosensors excited by up-conversion nanocrystals: synthesis, characterization and sensing performance.

Multivariate statistical analysis of heavy metal concentration in soils of Yelagiri Hills, Tamilnadu, India--spectroscopical approach.

Structural, optical, mechanical and dielectric studies of pure and doped L-Prolinium trichloroacetate single crystals.

SEM, EDX, infrared and Raman spectroscopic characterization of the silicate mineral yuksporite.

A vibrational spectroscopic study of tengerite-(Y) Y2(CO3)3 2-3H2O.

Quantitative determination of zopiclone and its impurity by four different spectrophotometric methods.

FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-methyluracil (thymine).

DNA cleavage, antibacterial, antifungal and anthelmintic studies of Co(II), Ni(II) and Cu(II) complexes of coumarin Schiff bases: synthesis and spectral approach.

Vibrational and theoretical study of diacetylenic acids.

An unexpected Schiff base-type Ni(II) complex: synthesis, crystal structures, fluorescence, electrochemical property and SOD-like activities.

Safranin-O dye in the ground state. A study by density functional theory, Raman, SERS and infrared spectroscopy.

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Structural, spectroscopic and DFT study of 4-methoxybenzohydrazide Schiff bases. A new series of polyfunctional ligands.

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DFT analysis on the molecular structure, vibrational and electronic spectra of 2-(cyclohexylamino)ethanesulfonic acid.

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Investigation of structure, vibrational, electronic, NBO and NMR analyses of 2-chloro-4-nitropyridine (CNP), 2-chloro-4-methyl-5-nitropyridine (CMNP) and 3-amino-2-chloro-4-methylpyridine (ACMP) by experimental and theoretical approach.

Supramolecular interaction of Moxifloxacin and ß-cyclodextrin spectroscopic characterization and analytical application.

Optical properties and device characteristics of 2-(antipyrin-4-ylhydrazono)-2-(4-nitrophenyl)acetonitrile thin films for photodiode applications.

Micas from mariupolite of the Oktiabrski massif (SE Ukraine): an insight into the host rock evolution--geochemical data supported by Raman microspectroscopy.

Micrometer size rod formed by secondary self assembly of omeprazole with - and ß-cyclodextrins.

QM/MM methodology, docking and spectroscopic (FT-IR/FT-Raman, NMR, UV) and Fukui function analysis on adrenergic agonist.

Vibrational spectroscopic study of poldervaartite CaCa[SiO3(OH)(OH)].

Spectroscopic properties of a series of Co(II) coordination polymers and the influence of Co(II) coordination environment on photoelectric property.

Structures and spectroscopic characterization of calcium chloride-nicotinamide, -isonicotinamide, -picolinamide and praseodymium bromide-nicotinamide complexes.

Luminescence and energy transfer of tunable emission phosphor Ca2PO4Cl:Ce(3+), Mn(2+).

Temperature controlled ionic liquid-based dispersive micro-extraction using two ligands, for determination of aluminium in scalp hair samples of Alzheimer's patients: a multivariate study.

Plectranthus amboinicus leaf extract mediated synthesis of zinc oxide nanoparticles and its control of methicillin resistant Staphylococcus aureus biofilm and blood sucking mosquito larvae.

Experimental and theoretical studies on the vibrational spectra of trans-3-phenylacryloyl chloride.

Quantum chemical calculations and interpretation of electronic transitions and spectroscopic characteristics belonging to 1-(3-Mesityl-3-methylcyclobutyl)-2-(naphthalene-1-yloxy)ethanone.

TDDFT study of twisted intramolecular charge transfer and intermolecular double proton transfer in the excited state of 4'-dimethylaminoflavonol in ethanol solvent.

Synthesis, spectral and theoretical studies of Ni(II), Pd(II) and Pt(II) complexes of 5-mercapto-1,2,4-triazole-3-imine-2'-hydroxynaphthaline.

A vibrational spectroscopic study of the anhydrous phosphate mineral sidorenkite Na3Mn(PO4)(CO3).

The spectroscopic characterization, photochromism of cadmium(II)-iodo complexes of 1-alkyl-2-(arylazo)imidazoles and DFT computation of representative complexes.

Experimental and theoretical study on free 5-nitroquinoline, 5-nitroisoquinoline, and their zinc(II) halide complexes.

Novel anthracene-based fluorescent sensor for selective recognition of acetate anions in protic media.

First principles and DFT supported investigations on vibrational spectra and electronic structure of 2-((phenylamino)methyl)isoindoline-1,3-dione--an antioxidant active Mannich base.

Polyether precursors of molecular recognition systems based on the 9,10-anthraquinone moiety.

Theoretical investigation on remote-control photocycloreversion of dithienylethene driven by azobenzene chromophores.

A hybrid artificial neural network and particle swarm optimization for prediction of removal of hazardous dye brilliant green from aqueous solution using zinc sulfide nanoparticle loaded on activated carbon.

Simultaneous removal of binary mixture of Brilliant Green and Crystal Violet using derivative spectrophotometric determination, multivariate optimization and adsorption characterization of dyes on surfactant modified nano-Î³-alumina.

Computational study of influence of diffuse basis functions on geometry optimization and spectroscopic properties of losartan potassium.

Optical and thermal properties of azo derivatives of salicylic acid thin films.

A new diketopyrrolopyrrole-based probe for sensitive and selective detection of sulfite in aqueous solution.

Effect of toxicity of Ag nanoparticles on SERS spectral variance of bacteria.

A novel series of thiosemicarbazone drugs: from synthesis to structure.

Investigation of interaction studies of cefpirome with ACE-inhibitors in various buffers.

A combined experimental and theoretical analysis on molecular structure and vibrational spectra of 2,4-dihydroxybenzoic acid.

Centrin: another target of monastrol, an inhibitor of mitotic spindle.

Multivariate qualitative analysis of banned additives in food safety using surface enhanced Raman scattering spectroscopy.

Microwave assisted synthesis, spectroscopic studies and non linear optical properties of bis-chromophores.

Spectroscopic and molecular modeling study on the separate and simultaneous bindings of alprazolam and fluoxetine hydrochloride to human serum albumin (HSA): with the aim of the drug interactions probing.

Interactions of CT DNA with hexagonal NaYF4 co-doped with Yb(3+)/Tm(3+) upconversion particles.

Photodynamic therapy effect of zinc monoamino phthalocyanine-folic acid conjugate adsorbed on single walled carbon nanotubes on melanoma cells.

Adsorption behavior of direct red 80 and congo red onto activated carbon/surfactant: process optimization, kinetics and equilibrium.

Probing the interaction of human serum albumin with DPPH in the absence and presence of the eight antioxidants.

Absorption spectral change of peripheral-light harvesting complexes 2 induced by magnesium protoporphyrin IX monomethyl ester association.

Vibrational spectroscopic study of polymorphism and polymorphic transformation of the anti-viral drug lamivudine.

Synthesis and characterization of Ni(II) and Zn(II) complexes of (furan-2-yl)methyl(2-(thiophen-2-yl)ethyl)dithiocarbamate (ftpedtc): X-ray structures of [Zn(ftpedtc)2(py)] and [Zn(ftpedtc)Cl(1,10-phen)].

Theoretical study of the structure-properties relationship in new class of 2,5-di(2-thienyl)pyrrole compounds.

Molecular structure and vibrational analysis of Trifluoperazine by FT-IR, FT-Raman and UV-Vis spectroscopies combined with DFT calculations.

Molecular conformational stability and Spectroscopic analysis of Parared with experimental techniques and quantum chemical calculations.

Preparation of new fluorophore lanthanide complexes-Cloisite nanohybrids using the tricationic Pr(III), Gd(III) and Dy(III) complexes with 9,10-phenanthrenequinone.

A sensor based on blue luminescent graphene quantum dots for analysis of a common explosive substance and an industrial intermediate, 2,4,6-trinitrophenol.

Substituent effects on the properties of photochromic hybrid diarylethenes with a naphthalene moiety.

Turn-on fluorescent chemosensor for determination of lutetium ion.

Crystal structure, vibrational spectra and non-linear optical properties of diethylenetriammonium hexabromobismuthate: C4H16N3BiBr6.

Fourier transform infrared spectroscopy combined with chemometrics for discrimination of Curcuma longa, Curcuma xanthorrhiza and Zingiber cassumunar.

Sensitive detection of mercury and copper ions by fluorescent DNA/Ag nanoclusters in guanine-rich DNA hybridization.

Charge transfer in the electron donor-acceptor complexes of a meso-phenol BODIPY dye with chloranils and fullerenes.

Synthesis, characterization and luminescent properties of lanthanide complexes with a novel multipodal ligand.

Structural and spectroscopic characterizations on the charge-transfer interactions of the second generation poly(propylene amine) dendrimers with iodine and picric acid acceptors.

Studies on the binding of fulvic acid with transferrin by spectroscopic analysis.

A comparative study on properties of synthesized MgO with different templates.

A novel one-pot synthesis of heterocyclic compound (4-benzoyl-5-phenyl-2-(pyridin-2-yl)-3,3a-dihydropyrazolo[1,5-c]pyrimidin-7(6H)-one): structural (X-ray and DFT) and spectroscopic (FT-IR, NMR, UV-Vis and Mass) characterization studies.

FT-IR, FT-Raman, NMR and UV-Vis spectra and DFT calculations of 5-bromo-2-ethoxyphenylboronic acid (monomer and dimer structures).

Investigation of crystal structure, vibrational characteristics and molecular conductivity of 2,3-dichloro-5,6-dicyno-p-benzoquinone.

Spectroscopic investigation on the interaction of ruthenium complexes with tumor specific lectin, jacalin.

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Magnetically recyclable Ni0.5Zn0.5Fe2O4/Zn0.95Ni0.05O nano-photocatalyst: structural, optical, magnetic and photocatalytic properties.

Adsorption mechanisms of RNA mononucleotides on silver nanoparticles.

Evaluating the efficiency of spectral resolution of univariate methods manipulating ratio spectra and comparing to multivariate methods: an application to ternary mixture in common cold preparation.

Molecular structure, vibrational spectra, first order hyper polarizability, NBO and HOMO-LUMO analysis of 2-amino-5-bromo-benzoic acid methyl ester.

Synthesis, structural and spectroscopic evaluations and nonlinear optical properties of 3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioic O-acid.

FT-IR spectroscopic, thermal analysis of human urinary stones and their characterization.

Rapid determination of major bioactive isoflavonoid compounds during the extraction process of kudzu (Pueraria lobata) by near-infrared transmission spectroscopy.

Temperature-dependent vibrational spectroscopic study and DFT calculations of the sorbic acid.

Solvation and equilibrium studies of some compounds containing azo and nitroso chromophores.

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Studies on chalcone derivatives: complex formation, thermal behavior, stability constant and antioxidant activity.

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Gaber, M. El-Sayed, Yusif S.
Description	Author Affiliation: El-Sayed YS ( Chemistry Department, Faculty of Science, Tanta University, 31527 Tanta, Egypt); Gaber M ( Chemistry Department, Faculty of Science, Tanta University, 31527 Tanta, Egypt.)
Abstract	The chalcone 3-[4'-dimethylaminophenyl]-1-(2-pyridyl) prop-2-en-1-one (DMAPP) and 3-(4'-diethylaminophenyl)-1-(2-pyridinyl) prop-2-en-1-one abbreviated as DEAPP have been synthesized and characterized with IR, (1)H NMR, (13)C NMR spectroscopic techniques as described previously (El-Daly et al., 2008; Gaber et al., 2009; El-Sayed, 2013). By using UV visible spectroscopy method the mole fraction ratio for copper with DMAPP and DEAPP complexes were determined and it was found to be 1:1. The stability constants of this complex have been determined by Job's method. The stability constant (Kf) of copper with DMAPP and DEAPP complexes in universal buffer pH=3.2 was determined to be 9.9×10(4) and 5.2×10(4) respectively. The effect of Cu(II) ion on the emission spectrum of the free chalcone is also assigned. Adherence to Beer's law and Ringbom optimum concentration ranges are determined. The thermal decomposition of the metal complexes is studied by TGA technique. The kinetic parameters like activation energy, pre-exponential factor and entropy of activation are estimated. The structure of complexes was energetically optimized through molecular mechanics applying MM(+) force field coupled with molecular dynamics simulation. The bond lengths and bond angles have been calculated to confirm the geometry of the ligands and their Cu(II) complexes. The mode of interaction of the chalcone to copper nanoparticles was studied. The apparent association constants of the colloidal copper nanoparticles:chalcone complexes in solution were evaluated using the spectral method and compared with the formation constant of the Cu(II) chalcone complexes. Antioxidant activity of these chalcones was evaluated by using 1,1'-diphenyl-2-picrylhydrazyl (DPPH) radicals scavenging method, which showed that the antioxidant activity of DMAPP has higher value than the DEAPP. Semi-empirical study results showed that DMAPP have higher dipole moment than DEAPP.
ISSN	13861425
Volume Number	137
e-ISSN	18733557
Journal	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Language	English
Publisher	Elsevier
Publisher Date	2015-02-25
Publisher Place	Great Britain (UK)
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Antioxidants Pharmacology Chalcone Chemistry Copper Furans Pyridines Colloids Coordination Complexes Drug Stability Kinetics Magnetic Resonance Spectroscopy Metal Nanoparticles Models, Molecular Molecular Structure Spectrophotometry, Ultraviolet Structure-activity Relationship Journal Article Research Support, Non-u.s. Gov't Discipline Spectroscopy
Content Type	Text
Resource Type	Article
Subject	Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation

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