Susan Torabi - Academia.edu (original) (raw)
Papers by Susan Torabi
Journal of The Serbian Chemical Society, Apr 29, 2021
Due to the importance of amino acids (AAs) as the basic bricks of proteins and their application ... more Due to the importance of amino acids (AAs) as the basic bricks of proteins and their application in the drug and food industries, there is great interest in their separation and identification using simple and inexpensive approaches. Application of predictive models for the determination of the behavior of AAs can reduce trial-and-error experiments. Herein, the retardation factor (RF) of 21 protein AAs were studied using the quantitative structureretardation factor (QSRR) model. The RF values of the AAs in ethanol-sodium azide solution as the mobile phase of reversed phase thin layer chromatography (RP-TLC) were correlated with the structural properties of the AAs. The suggested QSRR indicated excellent fitting and prediction ability (R2train = 0.95 and R2test = 0.94). Furthermore, other statistical tests, such as y-scrambling, cross validation and the Williams plot confirmed the stability, absence of chance and the suitable applicability domain, respectively. It was shown that the sum of geometrical distances between oxygen and nitrogen atoms in an AA molecule is an important factor for the RF values of the AAs in the ethanol-sodium azide.
This review comprises some biological activities of vanadyl Schiff base complexes in terms of ant... more This review comprises some biological activities of vanadyl Schiff base complexes in terms of antidiabetic, antioxidant, antibacterial and anti-fungal activity. The structure activity relationship for the potential biological activities of these compounds is also discussed.
Synthesis, characterization, and thermodynamics of some new unsymmetrical Schiff bases of salicylaldehyde with 3,4-diaminopyridine and their cobalt(III) complexes
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014
Some new Schiff bases derived from 3,4-diaminopyridine (3,4-DAP) and their new unsymmetrical Co(I... more Some new Schiff bases derived from 3,4-diaminopyridine (3,4-DAP) and their new unsymmetrical Co(III) five coordinate complexes described as [Co(Chel)(L)]ClO4⋅H2O where (Chel) is the deprotonated form of a series of unsymmetric ligands containing 3,4-diaminopyridine (3,4-DAP) and substituted salicylaldehyde moieties and a new Co(III) six coordinate Co(III) complex, were synthesized and characterized by (1)H NMR, IR, UV-Vis, and elemental analysis. For the new synthesized five coordinate complexes, the formation constants of the interaction of the Co(III) Schiff bases with various donors were measured spectrophotometrically. The trend of the formation constants of the five coordinate Co(III) Schiff base complexes toward a given phosphine is as follow: 5-H>5-Br and the formation constants trend of these donors are as follow: PBu3>PPh2Me. Furthermore the adduct formation of the five coordinate [Co(3,4-Salpyr)(PBu3)] ClO4⋅H2O, with aromatic amines shows the following binding trend:...
Journal of Coordination Chemistry, 2020
In this review, we introduce different routes to prepare silver oxide nanoparticles, including ch... more In this review, we introduce different routes to prepare silver oxide nanoparticles, including chemical, physical and green synthesis methods. Then, two main Ag 2 O-based applications in antibacterial, antifungal, and anticancer activities and as photocatalysts are discussed.
Expanding the Biotherapeutics Realm via miR-34a: “Potent Clever Little” Agent in Breast Cancer Therapy
Current Pharmaceutical Biotechnology, 2019
Background:One of the most prevalent cancers befell to women is considered to be breast cancer (B... more Background:One of the most prevalent cancers befell to women is considered to be breast cancer (BC). It is also the deadliest among the female population after lung cancer. Additionally, several studies have demonstrated that there is an association between microRNA34-a and breast cancer.Method:We searched PubMed, Web of Science, and Google Scholar up to December 2018. Those studies which have been studied miR-34a and its tumor-suppressing capabilities were considered as the most important topics. Moreover, we extracted articles which were solely focused on microRNA-34a in breast cancer therapy. Finally, 80 articles were included.Results:In comparison with the normal tissues, down-regulation of miR-34a expression is shown considerably in tumor cells. Overexpression of miR-34a acts as a tumor suppressor by transcriptional regulating one of the signaling pathways (TP53), NOTCH, and transforming growth factor beta (TGF-β), Bcl- 2 and SIRT1genes, HDAC1 and HDAC7, Fra-1, TPD52, TLR Via C...
Journal of Chemical Sciences, 2010
Some oxovanadium(IV) complexes, namely bis(1,1,1-trifluro-2,4-pentanedionato-O,O′) oxovanadium (I... more Some oxovanadium(IV) complexes, namely bis(1,1,1-trifluro-2,4-pentanedionato-O,O′) oxovanadium (IV), [VO(tfac) 2 (H 2 O)], bis(1-phenyl-2,4-pentanedionato-O,O′)oxovanadium(IV), [VO (phac) 2 (H 2 O)], bis(1,3-diphenyl-2,4-pentanedionato-O,O′)oxovanadium(IV), [VO(dphac) 2 (H 2 O)], of the type [VO(O 4)] and bis(pyrolidineaniline)oxovanadium(IV), [VO(pyran) 2 (H 2 O)], bis(p-hydroxypyrolidineaniline)oxovanadium(IV), [VO(p-hydroxypyran) 2 (H 2 O)], bis(p-methoxypyrolidineaniline) oxovanadium(IV), [VO(p-MeOpyran) 2 (H 2 O)], bis(p-chloropyrolidineaniline)oxovanadium(IV), [VO(pchloropyran) 2 (H 2 O)], bis(p-bromopyrolidineaniline)oxovanadium(IV), [VO(p-bromopyran) 2 (H 2 O)], bis (p-cyano pyrolidineaniline)oxovanadium(IV), [VO(p-cyanopyran) 2 (H 2 O)], and bis(pyrolidinebenzylamine)oxovanadium(IV), [VO(pyrbz) 2 (H 2 O)], of the type [VO(N 4)] were synthesized and characterized by IR, UV-Vis, mass spectrometry, elemental analysis, magnetic moment and thermogravimetry in order to evaluate their thermal stability and thermal decomposition pathways. The number of steps and, in particular, the starting temperature of decomposition of these complexes depends on the equatorial ligand. Also, formation constants of the complexes have been determined by UV-Vis absorption spectroscopy through titration of the ligands with the metal ions at constant ionic strength (0⋅1 M NaClO 4) and at 25°C. According to the thermodynamic studies, as the steric character of the ligand increases, the complexation tendency to VO(IV) center decreases. Also, the ab initio calculations were carried out to determine the structural and the geometrical properties of the complexes.
Determination of Ammonia by Designing an Optode Based on Immobilization of a Co(III)-Schiff Base Complex on a Triacetylcelluose Membrane
Journal of AOAC International, 2014
A novel ammonia optode was designed using [4-methyl-N,N′-bis(salicylidene)-1,2-phenylenediamine] ... more A novel ammonia optode was designed using [4-methyl-N,N′-bis(salicylidene)-1,2-phenylenediamine] tributylphosphincobalt(III) perchlorate monohydrate [Co(4-MeSaloph)(PBu)3]+ complex coated on a triacetylcellulose membrane. The sensor could be used at a wavelength of 378 nm to detect ammonia in the range of 8.3 × 10–4 and –1.25 × 10–2 M in borate buffer(pH 10). The LOD was found to be 9.5 × 10–5 M. The response time of the optode was 2–3 min and depended on the concentration of ammonia. This optode was successfully applied for the determination of ammonia in drinking water.
Journal of the Serbian Chemical Society, 2020
Due to the importance of amino acids (AAs) as the basic bricks of proteins and their application ... more Due to the importance of amino acids (AAs) as the basic bricks of proteins and their application in the drug and food industries, there is great interest in their separation and identification using simple and inexpensive approaches. Application of predictive models for the determination of the behavior of AAs can reduce trial-and-error experiments. Herein, the retardation factor (RF) of 21 protein AAs were studied using the quantitative structureretardation factor (QSRR) model. The RF values of the AAs in ethanol?sodium azide solution as the mobile phase of reversed phase thin layer chromatography (RP-TLC) were correlated with the structural properties of the AAs. The suggested QSRR indicated excellent fitting and prediction ability (R2train = 0.95 and R2test = 0.94). Furthermore, other statistical tests, such as y-scrambling, cross validation and the Williams plot confirmed the stability, absence of chance and the suitable applicability domain, respectively. It was shown that the ...
Australian Journal of Chemistry
Uniform zinc-containing infinite coordination polymer (ICP) nanoparticles were achieved via a str... more Uniform zinc-containing infinite coordination polymer (ICP) nanoparticles were achieved via a straightforward and rapid precipitation method in 5min, from a bi-thioglycolate functionalized salpn ligand (salpn=N,N′-bis(salicylidene)-1,3-propanediamine) as linker and zinc acetate. Characterization of the resulting product was performed by CHN elemental analysis, inductively coupled plasma–optical emission spectroscopy, FT-IR spectroscopy, thermogravimetric analysis, electron microscopies (FE-SEM and HR-TEM), and photoluminescence spectroscopy. Elemental analyses verified the proposed structure for the ICP with a 1:2 ratio of the salpn type ligand and Zn2+ ion. FE-SEM, TEM, and AFM analyses unveiled the existence of nanoparticles with diameters of ~30nm. PL spectroscopy showed a blue shift in emission peak of the ICP with regards to the organic ligand. The obtained ICP was utilized as a precursor to synthesize ZnO nanoparticles with wurtzite structure. An increase in bandgap of the pre...
A new series of 2-aryl, 3-benzyl-(1,3-oxazolidine or 1,3-thiazolidine)-4ones, possessing a methyl... more A new series of 2-aryl, 3-benzyl-(1,3-oxazolidine or 1,3-thiazolidine)-4ones, possessing a methylsulfonyl pharmacophore, were synthesized to evaluate their biological activities as selective cyclooxygenase-2 (COX-2) inhibitors. In vitro COX-1 and COX-2 isozyme inhibition studies were performed to acquire structureactivity relationship data with respect to the point that molecular modeling studies showed that designed compounds bind in the primary binding site such that the C-2 para-SO 2 Me substituent inserts into the 2°pocket present in COX-2 enzyme. COX-1 and COX-2 inhibition studies showed that all compounds were selective inhibitors of the COX-2 isozyme with IC 50 values in the highly potent 0.21 to 0.34 lM range, and COX-2 selectivity indexes in the 222.3 to [476 range. 3-Benzyl-2-(4-methylsulfonylphenyl)-1,3-oxazolidine-4(5H)-one was identified as the most potent (IC 50 = 0.21 lM) and selective (S.I. [ 476) COX-2 inhibitor among the synthesized compounds. It also was a more selective COX-2 inhibitor than the parent reference compound celecoxib (S.I. [ 403).
Ab initio investigation of ground-state properties of group-12 fluorides
International Journal of Quantum Chemistry, 2014
ABSTRACT The performance of wavefunction-based correlation methods in theoretical solid-state che... more ABSTRACT The performance of wavefunction-based correlation methods in theoretical solid-state chemistry depends on reliable Hartree–Fock (HF) results for infinitly extended systems. Therefore, we optimized basis sets of valence-triple-ζ quality based on HF calculations for the periodic system of group-12-metal difluorides. Scalar-relativistic effects were included in the case of the metal-ions by applying small-core pseudopotentials. To assess the quality of the proposed basis sets, the structural parameters, bulk moduli as well as cohesive and lattice energies of the systems were evaluated at the HF and the density functional theory levels. In addition to these two mean-field approaches and to assess further employment of our basis sets to wavefunction-based correlation methods we performed periodic local MP2 computations. Finally, the possibilities of pressure induced structural phase transitions occurring in the ZnF2, CdF2, and HgF2 were investigated. © 2014 Wiley Periodicals, Inc.
Some vanadyl complexes were synthesized by treating a methanolic solution of the appropriate Schi... more Some vanadyl complexes were synthesized by treating a methanolic solution of the appropriate Schiff base ligand and one equivalent of VO(SO4)2 to yield [(VOL2 1-14 )](L=Salicylaldehyde's derivatives, Schemes 1, 2). These oxovanadium (IV) complexes were characterized based on their FT-IR, UV-Vis spectroscopy and elemental analysis. The IR spectra suggest that coordination takes place through azomethine nitrogen and phenolate oxygen. In addition, the formation constants of the oxovanadium (IV) binary complexes were determined in methanolic medium. The ab initio calculations were also carried out to determine the structural and the geometrical properties of one of the complexes and its calculated vibrational frequencies were investigated.
Synthesis, characterization, and thermodynamics of some new unsymmetrical Schiff bases of salicylaldehyde with 3,4-diaminopyridine and their cobalt(III) complexes
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
Synthesis, ab initio calculations, thermal, thermodynamic and antioxidant properties of some oxovanadium(IV) complexes containing N2O2 set of donor atoms
Journal of the Iranian Chemical Society, 2010
Page 1. Archive of SID J. Iran. Chem. Soc., Vol. 7, No. 4, December 2010, pp. ... EXPERIMENTAL Ma... more Page 1. Archive of SID J. Iran. Chem. Soc., Vol. 7, No. 4, December 2010, pp. ... EXPERIMENTAL Materials All solvents and chemicals were purchased from Merck, Fluka or Aldrich and used without further purification. www.SID.ir Page 2. Archive of SID Asadi et al. 1022 ...
Synthesis, characterization, and thermodynamics of tertiary phosphine cobalt(III) Schiff-base complexes
Canadian Journal of Chemistry, 2001
Synthesis, characterization and thermodynamics of complex formation of some new Schiff base ligands with some transition metal ions and the adduct formation of zinc Schiff base complexes with some organotin chlorides
Some vanadyl complexes were synthesized by treating a methanolic solution of the appropriate Schi... more Some vanadyl complexes were synthesized by treating a methanolic solution of the appropriate Schiff base ligand and one equivalent of VO(SO4)2 to yield [(VOL2 1-14 )](L=Salicylaldehyde's derivatives, Schemes 1, 2). These oxovanadium (IV) complexes were characterized based on their FT-IR, UV-Vis spectroscopy and elemental analysis. The IR spectra suggest that coordination takes place through azomethine nitrogen and phenolate oxygen. In addition, the formation constants of the oxovanadium (IV) binary complexes were determined in methanolic medium. The ab initio calculations were also carried out to determine the structural and the geometrical properties of one of the complexes and its calculated vibrational frequencies were investigated.
Journal of Chemical Thermodynamics, 2008
The [N,N′-bis(Salicyliden)-2,3-diaminopyridine]tributylphosphinecobalt(III) perchlorate monohydra... more The [N,N′-bis(Salicyliden)-2,3-diaminopyridine]tributylphosphinecobalt(III) perchlorate monohydrate, [Co(Salpyr)(PBu3)]ClO4·H2O, was synthesized and characterized. For the new five coordinate complex and some others, such as [N,N′-bis(Salicyliden)-1,2-phenylenediamine]tributylphosphinecobalt(III) perchlorate monohydrate, [Co(Saloph)(PBu3)]ClO4·H2O, [N,N′-bis(4-methylSalicyliden)-1,2-phenylenediamine]tributylphosphine cobalt(III) perchlorate monohydrate, [Co(4-MeSaloph)(PBu3)]ClO4·H2O, [N,N′-bis(4-nitroSalicyliden)-1,2-phenylenediamine]tributylphosphinecobalt(III) perchlorate monohydrate, [Co(4-NO2Saloph)(PBu3)]ClO4·H2O, and [N,N′-bis(Salicyliden)-1,2-phenylenediamine]dimethylphenylphosphinecobalt(III) perchlorate monohydrate, [Co(Saloph)(PMe2Ph)]ClO4·H2O, the formation constants and the thermodynamic parameters of the interaction of Co(III) Schiff bases with amines were measured spectrophotometrically. Furthermore, the formation
Synthesis, characterization, and thermodynamics of some new unsymmetrical Schiff bases of salicylaldehyde with 3,4-diaminopyridine and their cobalt(III) complexes
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
Synthesis, characterization and thermodynamics of complex formation of some new Schiff base ligands with some transition metal ions and the adduct formation of zinc Schiff base complexes with some organotin chlorides
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012
Journal of The Serbian Chemical Society, Apr 29, 2021
Due to the importance of amino acids (AAs) as the basic bricks of proteins and their application ... more Due to the importance of amino acids (AAs) as the basic bricks of proteins and their application in the drug and food industries, there is great interest in their separation and identification using simple and inexpensive approaches. Application of predictive models for the determination of the behavior of AAs can reduce trial-and-error experiments. Herein, the retardation factor (RF) of 21 protein AAs were studied using the quantitative structureretardation factor (QSRR) model. The RF values of the AAs in ethanol-sodium azide solution as the mobile phase of reversed phase thin layer chromatography (RP-TLC) were correlated with the structural properties of the AAs. The suggested QSRR indicated excellent fitting and prediction ability (R2train = 0.95 and R2test = 0.94). Furthermore, other statistical tests, such as y-scrambling, cross validation and the Williams plot confirmed the stability, absence of chance and the suitable applicability domain, respectively. It was shown that the sum of geometrical distances between oxygen and nitrogen atoms in an AA molecule is an important factor for the RF values of the AAs in the ethanol-sodium azide.
This review comprises some biological activities of vanadyl Schiff base complexes in terms of ant... more This review comprises some biological activities of vanadyl Schiff base complexes in terms of antidiabetic, antioxidant, antibacterial and anti-fungal activity. The structure activity relationship for the potential biological activities of these compounds is also discussed.
Synthesis, characterization, and thermodynamics of some new unsymmetrical Schiff bases of salicylaldehyde with 3,4-diaminopyridine and their cobalt(III) complexes
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014
Some new Schiff bases derived from 3,4-diaminopyridine (3,4-DAP) and their new unsymmetrical Co(I... more Some new Schiff bases derived from 3,4-diaminopyridine (3,4-DAP) and their new unsymmetrical Co(III) five coordinate complexes described as [Co(Chel)(L)]ClO4⋅H2O where (Chel) is the deprotonated form of a series of unsymmetric ligands containing 3,4-diaminopyridine (3,4-DAP) and substituted salicylaldehyde moieties and a new Co(III) six coordinate Co(III) complex, were synthesized and characterized by (1)H NMR, IR, UV-Vis, and elemental analysis. For the new synthesized five coordinate complexes, the formation constants of the interaction of the Co(III) Schiff bases with various donors were measured spectrophotometrically. The trend of the formation constants of the five coordinate Co(III) Schiff base complexes toward a given phosphine is as follow: 5-H>5-Br and the formation constants trend of these donors are as follow: PBu3>PPh2Me. Furthermore the adduct formation of the five coordinate [Co(3,4-Salpyr)(PBu3)] ClO4⋅H2O, with aromatic amines shows the following binding trend:...
Journal of Coordination Chemistry, 2020
In this review, we introduce different routes to prepare silver oxide nanoparticles, including ch... more In this review, we introduce different routes to prepare silver oxide nanoparticles, including chemical, physical and green synthesis methods. Then, two main Ag 2 O-based applications in antibacterial, antifungal, and anticancer activities and as photocatalysts are discussed.
Expanding the Biotherapeutics Realm via miR-34a: “Potent Clever Little” Agent in Breast Cancer Therapy
Current Pharmaceutical Biotechnology, 2019
Background:One of the most prevalent cancers befell to women is considered to be breast cancer (B... more Background:One of the most prevalent cancers befell to women is considered to be breast cancer (BC). It is also the deadliest among the female population after lung cancer. Additionally, several studies have demonstrated that there is an association between microRNA34-a and breast cancer.Method:We searched PubMed, Web of Science, and Google Scholar up to December 2018. Those studies which have been studied miR-34a and its tumor-suppressing capabilities were considered as the most important topics. Moreover, we extracted articles which were solely focused on microRNA-34a in breast cancer therapy. Finally, 80 articles were included.Results:In comparison with the normal tissues, down-regulation of miR-34a expression is shown considerably in tumor cells. Overexpression of miR-34a acts as a tumor suppressor by transcriptional regulating one of the signaling pathways (TP53), NOTCH, and transforming growth factor beta (TGF-β), Bcl- 2 and SIRT1genes, HDAC1 and HDAC7, Fra-1, TPD52, TLR Via C...
Journal of Chemical Sciences, 2010
Some oxovanadium(IV) complexes, namely bis(1,1,1-trifluro-2,4-pentanedionato-O,O′) oxovanadium (I... more Some oxovanadium(IV) complexes, namely bis(1,1,1-trifluro-2,4-pentanedionato-O,O′) oxovanadium (IV), [VO(tfac) 2 (H 2 O)], bis(1-phenyl-2,4-pentanedionato-O,O′)oxovanadium(IV), [VO (phac) 2 (H 2 O)], bis(1,3-diphenyl-2,4-pentanedionato-O,O′)oxovanadium(IV), [VO(dphac) 2 (H 2 O)], of the type [VO(O 4)] and bis(pyrolidineaniline)oxovanadium(IV), [VO(pyran) 2 (H 2 O)], bis(p-hydroxypyrolidineaniline)oxovanadium(IV), [VO(p-hydroxypyran) 2 (H 2 O)], bis(p-methoxypyrolidineaniline) oxovanadium(IV), [VO(p-MeOpyran) 2 (H 2 O)], bis(p-chloropyrolidineaniline)oxovanadium(IV), [VO(pchloropyran) 2 (H 2 O)], bis(p-bromopyrolidineaniline)oxovanadium(IV), [VO(p-bromopyran) 2 (H 2 O)], bis (p-cyano pyrolidineaniline)oxovanadium(IV), [VO(p-cyanopyran) 2 (H 2 O)], and bis(pyrolidinebenzylamine)oxovanadium(IV), [VO(pyrbz) 2 (H 2 O)], of the type [VO(N 4)] were synthesized and characterized by IR, UV-Vis, mass spectrometry, elemental analysis, magnetic moment and thermogravimetry in order to evaluate their thermal stability and thermal decomposition pathways. The number of steps and, in particular, the starting temperature of decomposition of these complexes depends on the equatorial ligand. Also, formation constants of the complexes have been determined by UV-Vis absorption spectroscopy through titration of the ligands with the metal ions at constant ionic strength (0⋅1 M NaClO 4) and at 25°C. According to the thermodynamic studies, as the steric character of the ligand increases, the complexation tendency to VO(IV) center decreases. Also, the ab initio calculations were carried out to determine the structural and the geometrical properties of the complexes.
Determination of Ammonia by Designing an Optode Based on Immobilization of a Co(III)-Schiff Base Complex on a Triacetylcelluose Membrane
Journal of AOAC International, 2014
A novel ammonia optode was designed using [4-methyl-N,N′-bis(salicylidene)-1,2-phenylenediamine] ... more A novel ammonia optode was designed using [4-methyl-N,N′-bis(salicylidene)-1,2-phenylenediamine] tributylphosphincobalt(III) perchlorate monohydrate [Co(4-MeSaloph)(PBu)3]+ complex coated on a triacetylcellulose membrane. The sensor could be used at a wavelength of 378 nm to detect ammonia in the range of 8.3 × 10–4 and –1.25 × 10–2 M in borate buffer(pH 10). The LOD was found to be 9.5 × 10–5 M. The response time of the optode was 2–3 min and depended on the concentration of ammonia. This optode was successfully applied for the determination of ammonia in drinking water.
Journal of the Serbian Chemical Society, 2020
Due to the importance of amino acids (AAs) as the basic bricks of proteins and their application ... more Due to the importance of amino acids (AAs) as the basic bricks of proteins and their application in the drug and food industries, there is great interest in their separation and identification using simple and inexpensive approaches. Application of predictive models for the determination of the behavior of AAs can reduce trial-and-error experiments. Herein, the retardation factor (RF) of 21 protein AAs were studied using the quantitative structureretardation factor (QSRR) model. The RF values of the AAs in ethanol?sodium azide solution as the mobile phase of reversed phase thin layer chromatography (RP-TLC) were correlated with the structural properties of the AAs. The suggested QSRR indicated excellent fitting and prediction ability (R2train = 0.95 and R2test = 0.94). Furthermore, other statistical tests, such as y-scrambling, cross validation and the Williams plot confirmed the stability, absence of chance and the suitable applicability domain, respectively. It was shown that the ...
Australian Journal of Chemistry
Uniform zinc-containing infinite coordination polymer (ICP) nanoparticles were achieved via a str... more Uniform zinc-containing infinite coordination polymer (ICP) nanoparticles were achieved via a straightforward and rapid precipitation method in 5min, from a bi-thioglycolate functionalized salpn ligand (salpn=N,N′-bis(salicylidene)-1,3-propanediamine) as linker and zinc acetate. Characterization of the resulting product was performed by CHN elemental analysis, inductively coupled plasma–optical emission spectroscopy, FT-IR spectroscopy, thermogravimetric analysis, electron microscopies (FE-SEM and HR-TEM), and photoluminescence spectroscopy. Elemental analyses verified the proposed structure for the ICP with a 1:2 ratio of the salpn type ligand and Zn2+ ion. FE-SEM, TEM, and AFM analyses unveiled the existence of nanoparticles with diameters of ~30nm. PL spectroscopy showed a blue shift in emission peak of the ICP with regards to the organic ligand. The obtained ICP was utilized as a precursor to synthesize ZnO nanoparticles with wurtzite structure. An increase in bandgap of the pre...
A new series of 2-aryl, 3-benzyl-(1,3-oxazolidine or 1,3-thiazolidine)-4ones, possessing a methyl... more A new series of 2-aryl, 3-benzyl-(1,3-oxazolidine or 1,3-thiazolidine)-4ones, possessing a methylsulfonyl pharmacophore, were synthesized to evaluate their biological activities as selective cyclooxygenase-2 (COX-2) inhibitors. In vitro COX-1 and COX-2 isozyme inhibition studies were performed to acquire structureactivity relationship data with respect to the point that molecular modeling studies showed that designed compounds bind in the primary binding site such that the C-2 para-SO 2 Me substituent inserts into the 2°pocket present in COX-2 enzyme. COX-1 and COX-2 inhibition studies showed that all compounds were selective inhibitors of the COX-2 isozyme with IC 50 values in the highly potent 0.21 to 0.34 lM range, and COX-2 selectivity indexes in the 222.3 to [476 range. 3-Benzyl-2-(4-methylsulfonylphenyl)-1,3-oxazolidine-4(5H)-one was identified as the most potent (IC 50 = 0.21 lM) and selective (S.I. [ 476) COX-2 inhibitor among the synthesized compounds. It also was a more selective COX-2 inhibitor than the parent reference compound celecoxib (S.I. [ 403).
Ab initio investigation of ground-state properties of group-12 fluorides
International Journal of Quantum Chemistry, 2014
ABSTRACT The performance of wavefunction-based correlation methods in theoretical solid-state che... more ABSTRACT The performance of wavefunction-based correlation methods in theoretical solid-state chemistry depends on reliable Hartree–Fock (HF) results for infinitly extended systems. Therefore, we optimized basis sets of valence-triple-ζ quality based on HF calculations for the periodic system of group-12-metal difluorides. Scalar-relativistic effects were included in the case of the metal-ions by applying small-core pseudopotentials. To assess the quality of the proposed basis sets, the structural parameters, bulk moduli as well as cohesive and lattice energies of the systems were evaluated at the HF and the density functional theory levels. In addition to these two mean-field approaches and to assess further employment of our basis sets to wavefunction-based correlation methods we performed periodic local MP2 computations. Finally, the possibilities of pressure induced structural phase transitions occurring in the ZnF2, CdF2, and HgF2 were investigated. © 2014 Wiley Periodicals, Inc.
Some vanadyl complexes were synthesized by treating a methanolic solution of the appropriate Schi... more Some vanadyl complexes were synthesized by treating a methanolic solution of the appropriate Schiff base ligand and one equivalent of VO(SO4)2 to yield [(VOL2 1-14 )](L=Salicylaldehyde's derivatives, Schemes 1, 2). These oxovanadium (IV) complexes were characterized based on their FT-IR, UV-Vis spectroscopy and elemental analysis. The IR spectra suggest that coordination takes place through azomethine nitrogen and phenolate oxygen. In addition, the formation constants of the oxovanadium (IV) binary complexes were determined in methanolic medium. The ab initio calculations were also carried out to determine the structural and the geometrical properties of one of the complexes and its calculated vibrational frequencies were investigated.
Synthesis, characterization, and thermodynamics of some new unsymmetrical Schiff bases of salicylaldehyde with 3,4-diaminopyridine and their cobalt(III) complexes
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
Synthesis, ab initio calculations, thermal, thermodynamic and antioxidant properties of some oxovanadium(IV) complexes containing N2O2 set of donor atoms
Journal of the Iranian Chemical Society, 2010
Page 1. Archive of SID J. Iran. Chem. Soc., Vol. 7, No. 4, December 2010, pp. ... EXPERIMENTAL Ma... more Page 1. Archive of SID J. Iran. Chem. Soc., Vol. 7, No. 4, December 2010, pp. ... EXPERIMENTAL Materials All solvents and chemicals were purchased from Merck, Fluka or Aldrich and used without further purification. www.SID.ir Page 2. Archive of SID Asadi et al. 1022 ...
Synthesis, characterization, and thermodynamics of tertiary phosphine cobalt(III) Schiff-base complexes
Canadian Journal of Chemistry, 2001
Synthesis, characterization and thermodynamics of complex formation of some new Schiff base ligands with some transition metal ions and the adduct formation of zinc Schiff base complexes with some organotin chlorides
Some vanadyl complexes were synthesized by treating a methanolic solution of the appropriate Schi... more Some vanadyl complexes were synthesized by treating a methanolic solution of the appropriate Schiff base ligand and one equivalent of VO(SO4)2 to yield [(VOL2 1-14 )](L=Salicylaldehyde's derivatives, Schemes 1, 2). These oxovanadium (IV) complexes were characterized based on their FT-IR, UV-Vis spectroscopy and elemental analysis. The IR spectra suggest that coordination takes place through azomethine nitrogen and phenolate oxygen. In addition, the formation constants of the oxovanadium (IV) binary complexes were determined in methanolic medium. The ab initio calculations were also carried out to determine the structural and the geometrical properties of one of the complexes and its calculated vibrational frequencies were investigated.
Journal of Chemical Thermodynamics, 2008
The [N,N′-bis(Salicyliden)-2,3-diaminopyridine]tributylphosphinecobalt(III) perchlorate monohydra... more The [N,N′-bis(Salicyliden)-2,3-diaminopyridine]tributylphosphinecobalt(III) perchlorate monohydrate, [Co(Salpyr)(PBu3)]ClO4·H2O, was synthesized and characterized. For the new five coordinate complex and some others, such as [N,N′-bis(Salicyliden)-1,2-phenylenediamine]tributylphosphinecobalt(III) perchlorate monohydrate, [Co(Saloph)(PBu3)]ClO4·H2O, [N,N′-bis(4-methylSalicyliden)-1,2-phenylenediamine]tributylphosphine cobalt(III) perchlorate monohydrate, [Co(4-MeSaloph)(PBu3)]ClO4·H2O, [N,N′-bis(4-nitroSalicyliden)-1,2-phenylenediamine]tributylphosphinecobalt(III) perchlorate monohydrate, [Co(4-NO2Saloph)(PBu3)]ClO4·H2O, and [N,N′-bis(Salicyliden)-1,2-phenylenediamine]dimethylphenylphosphinecobalt(III) perchlorate monohydrate, [Co(Saloph)(PMe2Ph)]ClO4·H2O, the formation constants and the thermodynamic parameters of the interaction of Co(III) Schiff bases with amines were measured spectrophotometrically. Furthermore, the formation
Synthesis, characterization, and thermodynamics of some new unsymmetrical Schiff bases of salicylaldehyde with 3,4-diaminopyridine and their cobalt(III) complexes
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
Synthesis, characterization and thermodynamics of complex formation of some new Schiff base ligands with some transition metal ions and the adduct formation of zinc Schiff base complexes with some organotin chlorides
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012