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  Subjects -> CHEMISTRY (Total: 795 journals)
    - ANALYTICAL CHEMISTRY (47 journals)
    - CHEMISTRY (554 journals)
    - CRYSTALLOGRAPHY (22 journals)
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    - INORGANIC CHEMISTRY (41 journals)
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    - PHYSICAL CHEMISTRY (64 journals)

CHEMISTRY (554 journals)            First | 1 2 3 4 5 6 | Last

Journal of Chromatography A     Hybrid Journal   (Followers: 45)
Journal of Chromatography Library     Full-text available via subscription   (Followers: 5)
Journal of Colloid and Interface Science     Hybrid Journal   (Followers: 12)
Journal of Computational Chemistry     Hybrid Journal   (Followers: 13)
Journal of Coordination Chemistry     Hybrid Journal   (Followers: 1)
Journal of Dispersion Science and Technology     Hybrid Journal  
Journal of Encapsulation and Adsorption Sciences     Open Access   (Followers: 5)
Journal of Environmental Chemistry and Ecotoxicology     Open Access   (Followers: 2)
Journal of Flow Chemistry     Full-text available via subscription   (Followers: 1)
Journal of Fluorescence     Hybrid Journal   (Followers: 3)
Journal of Fluorine Chemistry     Hybrid Journal   (Followers: 6)
Journal of Fuel Chemistry and Technology     Full-text available via subscription   (Followers: 5)
Journal of Great Lakes Research     Hybrid Journal   (Followers: 7)
Journal of Heterocyclic Chemistry     Hybrid Journal   (Followers: 5)
Journal of Immunoassay and Immunochemistry     Hybrid Journal   (Followers: 3)
Journal of Inclusion Phenomena and Macrocyclic Chemistry     Hybrid Journal   (Followers: 1)
Journal of Inorganic Biochemistry     Hybrid Journal   (Followers: 2)
Journal of Labelled Compounds and Radiopharmaceuticals     Hybrid Journal   (Followers: 1)
Journal of Macromolecular Science, Part A: Pure and Applied Chemistry     Hybrid Journal   (Followers: 4)
Journal of Mass Spectrometry     Hybrid Journal   (Followers: 20)
Journal of Materials Chemistry A : Materials for Energy and Sustainability     Full-text available via subscription   (Followers: 23)
Journal of Materials Chemistry B : Materials for Biology and Medicine     Full-text available via subscription   (Followers: 5)
Journal of Materials Chemistry C : Materials for Optical, Magnetic and Electronic Devices     Full-text available via subscription   (Followers: 6)
Journal of Materials Physics and Chemistry     Open Access  
Journal of Materials Research     Full-text available via subscription   (Followers: 9)
Journal of Mathematical Chemistry     Hybrid Journal   (Followers: 4)
Journal of Medicinal Chemistry     Full-text available via subscription   (Followers: 206)
Journal of Membrane Science     Hybrid Journal   (Followers: 11)
Journal of Modern Chemistry & Chemical Technology     Full-text available via subscription   (Followers: 2)
Journal of Molecular Catalysis A: Chemical     Hybrid Journal   (Followers: 2)
Journal of Molecular Graphics and Modelling     Hybrid Journal   (Followers: 4)
Journal of Molecular Liquids     Hybrid Journal   (Followers: 3)
Journal of Molecular Modeling     Hybrid Journal   (Followers: 3)
Journal of Molecular Recognition     Hybrid Journal   (Followers: 2)
Journal of Molecular Spectroscopy     Hybrid Journal   (Followers: 6)
Journal of Molecular Structure     Hybrid Journal   (Followers: 3)
Journal of Nanoparticles     Open Access  
Journal of Nanostructure in Chemistry     Open Access   (Followers: 5)
Journal of Natural Gas Chemistry     Full-text available via subscription   (Followers: 2)
Journal of Nepal Chemical Society     Open Access  
Journal of Nucleic Acids Investigation     Open Access   (Followers: 2)
Journal of Ocean University of China (English Edition)     Hybrid Journal   (Followers: 2)
Journal of Organometallic Chemistry     Hybrid Journal   (Followers: 12)
Journal of Photochemistry and Photobiology A: Chemistry     Hybrid Journal   (Followers: 4)
Journal of Photochemistry and Photobiology C: Photochemistry Reviews     Full-text available via subscription   (Followers: 4)
Journal of Polymer & Composites     Full-text available via subscription  
Journal of Polymer and Biopolymer Physics Chemistry     Open Access  
Journal of Polymer Science Part A: Polymer Chemistry     Hybrid Journal   (Followers: 187)
Journal of Polymers     Open Access   (Followers: 1)
Journal of Porphyrins and Phthalocyanines     Hybrid Journal   (Followers: 2)
Journal of Pure and Applied Chemistry Research     Open Access   (Followers: 1)
Journal of Raman Spectroscopy     Hybrid Journal   (Followers: 10)
Journal of Saudi Chemical Society     Open Access  
Journal of Solid State Chemistry     Hybrid Journal   (Followers: 14)
Journal of Solution Chemistry     Hybrid Journal  
Journal of Structural Chemistry     Hybrid Journal  
Journal of Sulfur Chemistry     Hybrid Journal   (Followers: 2)
Journal of Superhard Materials     Hybrid Journal   (Followers: 1)
Journal of Surfactants and Detergents     Hybrid Journal   (Followers: 5)
Journal of Systems Chemistry     Open Access   (Followers: 1)
Journal of Taibah University for Science     Open Access  
Journal of the American Chemical Society     Full-text available via subscription   (Followers: 292)
Journal of the American Society for Mass Spectrometry     Hybrid Journal   (Followers: 18)
Journal of the American Society of Brewing Chemists     Full-text available via subscription   (Followers: 1)
Journal of the Bangladesh Chemical Society     Open Access  
Journal of the Chilean Chemical Society     Open Access   (Followers: 2)
Journal of the Iranian Chemical Society     Hybrid Journal   (Followers: 1)
Journal of the Korean Society for Applied Biological Chemistry     Hybrid Journal   (Followers: 1)
Journal of the Mexican Chemical Society     Open Access   (Followers: 1)
Journal of Theoretical and Computational Chemistry     Hybrid Journal   (Followers: 7)
Journal of Theoretical Chemistry     Open Access  
Journal of Wood Chemistry and Technology     Hybrid Journal   (Followers: 7)
JPC - Journal of Planar Chromatography - Modern TLC     Full-text available via subscription   (Followers: 6)
Jurnal Penelitian Sains (JPS)     Open Access  
Jurnal Teknologi Informasi     Open Access   (Followers: 3)
Kinetics and Catalysis     Hybrid Journal   (Followers: 3)
Korea-Australia Rheology Journal     Hybrid Journal  
Langmuir     Full-text available via subscription   (Followers: 36)
Latvian Journal of Chemistry     Open Access   (Followers: 1)
Lebensmittelchemie     Hybrid Journal   (Followers: 1)
Lipid Insights     Open Access   (Followers: 1)
Luminescence     Hybrid Journal   (Followers: 1)
Macromolecular Materials & Engineering     Hybrid Journal   (Followers: 4)
Macromolecular Rapid Communications     Hybrid Journal   (Followers: 4)
Macromolecular Research     Hybrid Journal  
Macromolecular Symposia     Hybrid Journal  
Macromolecular Theory and Simulations     Hybrid Journal  
Macromolecules     Full-text available via subscription   (Followers: 31)
Magnetic Resonance in Chemistry     Hybrid Journal   (Followers: 4)
Main Group Chemistry     Hybrid Journal  
Marine Chemistry     Hybrid Journal   (Followers: 4)
Marine Drugs     Open Access   (Followers: 4)
MATEC Web of Conferences     Open Access  
Materials Characterization     Hybrid Journal   (Followers: 25)
Materials Horizons     Full-text available via subscription  
Materials Research Bulletin     Hybrid Journal   (Followers: 18)
Materials Science Monographs     Full-text available via subscription   (Followers: 1)
Materials Science-Poland     Hybrid Journal  
Materials Sciences and Applications     Open Access   (Followers: 4)
MedChemComm     Full-text available via subscription   (Followers: 4)

  First | 1 2 3 4 5 6 | Last

Journal Cover Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
   [10 followers]  Follow    
   Hybrid Journal Hybrid journal (It can contain Open Access articles)
     ISSN (Print) 1386-1425
     Published by Elsevier Homepage  [2575 journals]   [SJR: 0.567]   [H-I: 58]
  • A novel synthetic route for magnesium aluminate (MgAl2O4) nanoparticles
           using sol–gel auto combustion method and their photocatalytic
           properties
    • Abstract: Publication date: 15 October 2014
      Source:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 131
      Author(s): Mostafa Y. Nassar , Ibrahim S. Ahmed , Ihab Samir
      In this paper a novel and inexpensive route for the preparation of spinel magnesium aluminate nanoparticles (MgAl2O4) is proposed. Magnesium aluminate photocatalyst was synthesized via sol–gel auto combustion method using oxalic acid, urea, and citric acid fuels at 350°C. Subsequently, the burnt samples were calcined at different temperatures. The pure spinel MgAl2O4 with average crystallite size 27.7, 14.6 and 15.65nm was obtained at 800°C calcinations using the aforementioned fuels, respectively. The obtained samples were characterized by powder X-ray diffraction, Fourier transform infrared, UV–Vis spectroscopy, transmission electron microscope, scanning electron microscope. The photo catalytic activity of MgAl2O4 product was studied by performing the decomposition of Reactive Red Me 4BL dye under UV illumination or sunlight irradiation. The dye considerably photocatalytically degraded by 90.0% and 95.45% under UV and sunlight irradiation, respectively, within ca. 5h with pseudo first order rate constants of 5.85×10−3 and 8.38×10−3 min−1, respectively.
      Graphical abstract image

      PubDate: 2014-12-16T12:29:21Z
       
  • Spectroscopic analysis and molecular modeling on the interaction of
           jatrorrhizine with human serum albumin (HSA)
    • Abstract: Publication date: 24 January 2014
      Source:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 118
      Author(s): Junfen Li , Jinzeng Li , Yong Jiao , Chuan Dong
      In this work, the interaction of jatrorrhizine with human serum albumin (HSA) was studied by means of UV–vis and fluorescence spectra. The intrinsic fluorescence of HSA was quenched by jatrorrhizine, which was rationalized in terms of the static quenching mechanism. The results show that jatrorrhizine can obviously bind to HSA molecules. According to fluorescence quenching calculations, the bimolecular quenching constant (kq ), apparent quenching constant (KSV ) at different temperatures were obtained. The binding constants K are 4059Lmol−1 and 1438Lmol−1 at 299K and 304K respectively, and the number of binding sites n is almost 1. The thermodynamic parameters determined by the Van’t Hoff analysis of the binding constants (ΔH −12.25kJmol−1 and ΔS 28.17Jmol−1 K−1) clearly indicate that the electrostatic force plays a major role in the process. The efficiency of energy transfer and the distance between the donor (HSA) and the acceptor (jatrorrhizine) were calculated as 22.2% and 3.19nm according to Föster’s non-radiative energy transfer theory. In addition, synchronous fluorescence spectroscopy reveals that jatrorrhizine can influence HSA’s microstructure. That is, jatrorrhizine is more vicinal to tryptophane (Trp) residue than to tyrosine (Tyr) residue and the damage site is also mainly at Trp residue. Molecular modeling result shows that jatrorrhizine–HSA complex formed not only on the basis of electrostatic forces, but also on the basis of π–π staking and hydrogen bond. The research results will offer a reference for the studies on the biological effects and action mechanism of small molecule with protein.
      Graphical abstract image Highlights The binding behavior of jatrorrhizine with HSA was studied by UV–vis, fluorescence and molecular modeling examinations. Jatrorrhizine has high binding affinity with HSA by effectively quenched the fluorescence of HSA molecules via static mechanism. The binding sites, the type of interaction and the energy transfer process were revealed. The thermodynamic parameters indicate that electrostatic force plays an important role in the binding. The energy transfer from HSA molecules to jatrorrhizine occurs with high probability. Furthermore, the molecular modeling was performed to explore the possible binding site and assess the microenvironment around the bound jatrorrhizine.

      PubDate: 2014-12-16T12:29:21Z
       
  • Synthesis, spectroscopic, coordination and biological activities of some
           organometallic complexes derived from thio-Schiff base ligands
    • Abstract: Publication date: 3 January 2014
      Source:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 117
      Author(s): Azza A. Abou-Hussein , Wolfgang Linert
      Two series of mono- and binuclear complexes cyclic or acyclic thio-ferocine Schiff base ligands, derived from the condensation of 2-aminobenzenthiol (L) with monoacetyl ferrocene in the molar ratio 1:1 or in the molar ratio 1:2 for diacetyl ferocine have been prepared. The condensation reactions yield the corresponding Schiff Base ligands, HLa-Maf and H2Lb-Daf. The chelation of the ligands to metal ions occurs through the sulfur of the thiol group as well as the nitrogen atoms of the azomethine group of the ligands. HLa-Maf acts as monobasic bidentate or dibasic tetradentate, while H2Lb-Daf behaves as twice negatively cargend tetradentate ligand. The structures of these ligands were elucidated by elemental analysis, infrared, ultraviolet–visible spectra, as well as 1H NMR spectra. Reactions of the Schiff bases ligands with ruthenium(III), oxovanadium(IV) and dioxouranium(VI) afforded the corresponding transition metal complexes. The properties of the newly prepared complexes were analyse by elemental analyses, infrared, electronic spectra, 1H NMR as well as the magnetic susceptibility and conductivity measurement. The metal complexes exhibits different geometrical arrangements such as octahedral and square pyramidal coordination. Schiff base ligands and their metal complexes were tested against two pathogenic bacteria as Gram-positive and Gram-negative bacteria as well as one kind of fungi to study their biological activity. All the complexes exhibit antibacterial and antifungal activities against these organisms.
      Graphical abstract image

      PubDate: 2014-12-16T12:29:21Z
       
  • Matrix isolation infrared spectra, assignment and DFT investigation on
           reactions of iron and manganese monoxides with CH3Cl
    • Abstract: Publication date: December 2013
      Source:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 116
      Author(s): Yanying Zhao , Kexue Fan , Yongfei Huang , Xuming Zheng
      The reactions of iron and manganese monoxide molecules (FeO, and MnO) with monochloromethane in solid argon have been studied by matrix isolation infrared spectroscopy and quantum chemistry calculations. When annealing, the reactions of FeO and MnO with CH3Cl first form the OM-(η Cl-CH3Cl) (MMn, Fe) complexes, which can isomerize to CH3MOCl (MMn, Fe) upon 300< λ <580nm irradiation. The products were characterized by isotopic IR studies with CD3Cl and 13CH3Cl and density functional calculations. Based on theoretical calculations, the OFe-(η Cl-CH3Cl) and OMn-(η Cl-CH3Cl) complexes have 5A′ and 6A′ ground state with Cs symmetry, respectively. The accurate CCSD(T) single point calculations illustrate the CH3MOCl isomerism are 13.8 and 3.1kcal/mol lower in energy than the OM-(η Cl-CH3Cl) (MMn, Fe) complexes.
      Graphical abstract image

      PubDate: 2014-12-16T12:29:21Z
       
  • Spectroscopic studies on the interaction between tetrandrine and two serum
           albumins by chemometrics methods
    • Abstract: Publication date: November 2013
      Source:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 115
      Author(s): Zhengjun Cheng , Rong Liu , Xiaohui jiang
      The binding interactions of tetrandrine (TETD) with bovine serum albumin (BSA) and human serum albumin (HSA) have been investigated by spectroscopic methods. These experimental data were further analyzed using multivariate curve resolution-alternating least squares (MCR-ALS) method, and the concentration profiles and pure spectra for three species (BSA/HSA, TETD and TETD-BSA/HSA) existed in the interaction procedure, as well as, the apparent equilibrium constants K app were evaluated. The binding sites number n and the binding constants K were obtained at various temperatures. The binding distance between TETD and BSA/HSA was 1.455/1.451nm. The site markers competitive experiments indicated that TETD primarily bound to the tryptophan residue of BSA/HSA within site I. The thermodynamic parameters (ΔG, ΔH and ΔS) calculated on the basis of different temperatures revealed that the binding of TETD-BSA was mainly depended on the hydrophobic interaction strongly and electrostatic interaction, and yet the binding of TETD-HSA was strongly relied on the hydrophobic interaction. The results of synchronous fluorescence, 3D fluorescence and FT-IR spectra show that the conformation of proteins has altered in the presence of TETD. In addition, the effect of some common ions on the binding constants between TETD and proteins were also discussed.
      Graphical abstract image Highlights The interactions of tetrandrine (TETD) with two serum albumins (BSA and HSA) have been investigated using multispectroscopic and chemometrics methods at different temperatures under imitated physiological conditions. These spectra data measured were further analyzed by multivariate curve resolution-alternating least squares (MCR-ALS) and the concentration profiles for three species (BSA/HSA, TETD and TETD-BSA/HSA) existed in the interaction procedure.

      PubDate: 2014-12-16T12:29:21Z
       
  • Vibrational spectral investigation and natural bond orbital analysis of
           pharmaceutical compound 7-Amino-2,4-dimethylquinolinium formate –
           DFT approach
    • Abstract: Publication date: November 2013
      Source:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 115
      Author(s): D.M. Suresh , M. Amalanathan , S. Sebastian , D. Sajan , I. Hubert Joe , V. Bena Jothy , Ivan Nemec
      The molecular geometry, the normal mode frequencies and corresponding vibrational assignments, natural bond orbital analysis and the HOMO–LUMO analysis of 7-Amino-2,4-dimethylquinolinium formate in the ground state were performed by B3LYP levels of theory using the 6-31G(d) basis set. The optimised bond lengths and bond angles are in good agreement with the X-ray data. The vibrational spectra of the title compound which is calculated by DFT method, reproduces vibrational wave numbers and intensities with an accuracy which allows reliable vibrational assignments. The possibility of N–H⋯O hydrogen bonding was identified using NBO analysis. Natural bond orbital analysis confirms the presence of intramolecular charge transfer and the hydrogen bonding interaction.
      Graphical abstract image Highlights Vibrational analysis of the 7-Amino-2,4-dimethylquinolinium formate (ADQF) molecule was carried out using FT-IR and FT-Raman spectroscopic techniques. The equilibrium geometry, harmonic vibrational wavenumbers, various bonding features have been computed using density functional method. The calculated molecular geometry parameters have been compared with XRD data. The detailed interpretation of the vibrational spectra has been carried out by computing Potential Energy Distribution (PED). Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analysed using Natural Bond Orbital (NBO) analysis. The simulated spectra satisfactorily coincide with the experimental spectra.

      PubDate: 2014-12-16T12:29:21Z
       
  • Spectroscopic and electrochemical characterization of some Schiff base
           metal complexes containing benzoin moiety
    • Abstract: Publication date: September 2013
      Source:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 113
      Author(s): M.S. El-Shahawi , M.S. Al-Jahdali , A.S. Bashammakh , A.A. Al-Sibaai , H.M. Nassef
      The ligation behavior of bis-benzoin ethylenediamine (B2ED) and benzoin thiosemicarbazone (BTS) Schiff bases towards Ru3+, Rh3+, Pd2+, Ni2+ and Cu2+ were determined. The bond length of M–N and spectrochemical parameters (10Dq, β, B and LFSE) of the complexes were evaluated. The redox characteristics of selected complexes were explored by cyclic voltammetry (CV) at Pt working electrode in non aqueous solvents. Au mesh (100w/in.) optically transparent thin layer electrode (OTTLE) was also used for recording thin layer CV for selected Ru complex. Oxidation of some complexes occurs in a consecutive chemical reaction of an EC type mechanism. The characteristics of electron transfer process of the couples M2+/M3+ and M3+/M4+ (M=Ru3+, Rh3+) and the stability of the complexes towards oxidation and/or reduction were assigned. The nature of the electroactive species and reduction mechanism of selected electrode couples were assigned.
      Graphical abstract image

      PubDate: 2014-12-16T12:29:21Z
       
 
 
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