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کاربرد نوع شرط:
- جایگاه : پژوهشی
- مجله: Inorganic Chemistry Research
- نوع مقاله: Journal Article
- کلمات کلیدی: Polymorphism,12-Tungstoborate,L-proline,Inorganic-organic hybrid,Hydrothermal reaction
- چکیده:
- چکیده انگلیسی: A new structure related to previously reported structure of 12-tungstoborate Keggin-type polyoxometalate, K5[BW12O40], was synthesized and its characterization by single crystal X-ray diffraction shows the polymorph structure. Further attempts have been performed to provide three component compounds based on L-proline, lanthanoid cation and K5[BW12O40] (BW12 (II)) under hydrothermal conditions which is rarely reported in hybrid materials rather than other Keggin types. The proposed general structures contain lanthanoid dimers with amino acid bridges and BW12 (II), which characterized by elemental analysis, FT-IR spectroscopy and ICP (Inductively coupled plasma) method. Various types of interactions are established, depending on the POM shape and charge, the amino acid side chain, peptide sequence or protein structure. Experimental conditions such as temperature, acidity, solvent, etc. are also important factors that influence the binding/reactivity of POM with biomolecules, as described recently [13]. This understanding allows the adequate design of the POM-biomolecule couple for tailoring and controlling mechanisms of action such as catalysis, inhibition, and aggregation, or the crystallizing agent.
- انتشار مقاله: 08-05-1396
- نویسندگان: Mina Arefian,Masoud Mirzaei,Hossein Eshtiagh-Hosseini
- مشاهده
- جایگاه : پژوهشی
- مجله: Physical Chemistry Research
- نوع مقاله: Journal Article
- کلمات کلیدی: Tautomerization,Intramolecular proton transfer (IPT),Intermolecular hydrogen bonding,6-Hydroxypicolinic acid (6HPA),Electrostatic potential (ESP)
- چکیده:
- چکیده انگلیسی: This paper is a density functional theory (DFT) calculation of intramolecular proton transfer (IPT) in 6-hydroxypicolinic acid (6HPA, 6-hydroxypyridine-2-carboxylic acid) tautomeric forms. The transition state for the enol-to-keto transition is reported in the gas phase and in four different solvents. The planar and non-planar dimer forms of 6HPA keto and enol, respectively, were also studied in the gas phase The IPT reactions and dimerization processes were studied at the B3LYP/6-31++G(d) level of the theory. The influence of the solvent on the tautomerization reaction of 6HPA was examined using the conductor-polarizable continuum model (CPCM). The IPT reaction in the gas phase is almost the same as in solution. The calculated dimerization energies show that the stability of 6HPA tautomer dimer structures is directly affected by the distance of intermolecular hydrogen bonding and electrostatic potential (ESP) value in the tautomer dimer.
- انتشار مقاله: 07-03-1392
- نویسندگان: Masoud Mirzaei,Seyed Hasan Kazemi,Hossein Eshtiagh-Hosseini,Mohammad Izadyar
- مشاهده
- جایگاه : پژوهشی
- مجله: International Journal of Heterocyclic Chemistry
- نوع مقاله: Journal Article
- کلمات کلیدی:
- چکیده:
- چکیده انگلیسی: Crystallographic data analyses indicate that three types of prolinium cations, along with two types of hydrogen bonding, produce and stabilize the helical structure of triprolinium 12-phosphomolybdate. There are similarities between this organic-inorganic compound and peptides/proteins. The stronger “conventional” hydrogen bonds and the less common C-H…O attractions play critical roles in generating and stabilizing the DNA-like network
- انتشار مقاله: 28-03-1397
- نویسندگان: Masoud Mirzaei,Ali R. Salimia,Mohammad H. Alizadeh,Hossein Eshtiagh-Hosseini,Hossein Razavi
- مشاهده
- جایگاه : پژوهشی
- مجله: International Journal of Heterocyclic Chemistry
- نوع مقاله: Journal Article
- کلمات کلیدی: Protein,Hydrogen bonding,Proline,Molybdenum,Polyoxometallates,Hybrid,Keggin,Peptide
- چکیده:
- چکیده انگلیسی: Crystallographic data analyses indicate that three types of prolinium cations, along with two types of hydrogen bonding, produce and stabilize the helical structure of triprolinium 12-phosphomolybdate. There are similarities between this organic-inorganic compound and peptides/proteins. The stronger “conventional” hydrogen bonds and the less common C-H…O attractions play critical roles in generating and stabilizing the DNA-like network.
- انتشار مقاله: 05-03-1395
- نویسندگان: Abdolhassan Doulah,Hossein Eshtiagh-Hosseini,Masoud Mirzaei,Ali Fazlara
- مشاهده
- جایگاه : پژوهشی
- مجله: International Journal of Heterocyclic Chemistry
- نوع مقاله: Journal Article
- کلمات کلیدی: Protein,Hydrogen bonding,Proline,Molybdenum,Polyoxometallates,Hybrid,Keggin,Peptide
- چکیده:
- چکیده انگلیسی: Crystallographic data analyses indicate that three types of prolinium cations, along with two types of hydrogen bonding, produce and stabilize the helical structure of triprolinium 12-phosphomolybdate. There are similarities between this organic-inorganic compound and peptides/proteins. The stronger “conventional” hydrogen bonds and the less common C-H…O attractions play critical roles in generating and stabilizing the DNA-like network.
- انتشار مقاله: 05-03-1395
- نویسندگان: Masoud Mirzaei,Ali R Salimi,Mohammad H. Alizadeh,Hossein Eshtiagh-Hosseini,Hossein Razavi
- مشاهده
- جایگاه : پژوهشی
- مجله: International Journal of Heterocyclic Chemistry
- نوع مقاله: Journal Article
- کلمات کلیدی: Protein,Hydrogen bonding,Proline,Molybdenum,Polyoxometallates,Hybrid,Keggin,Peptide
- چکیده:
- چکیده انگلیسی: Crystallographic data analyses indicate that three types of prolinium cations, along with two types of hydrogen bonding, produce and stabilize the helical structure of triprolinium 12-phosphomolybdate. There are similarities between this organic-inorganic compound and peptides/proteins. The stronger “conventional” hydrogen bonds and the less common C-H…O attractions play critical roles in generating and stabilizing the DNA-like network.
- انتشار مقاله: 20-03-1393
- نویسندگان: Hossein Eshtiagh-Hosseini,Masoud Mirzaei
- مشاهده
- جایگاه : پژوهشی
- مجله: Inorganic Chemistry Research
- نوع مقاله: Journal Article
- کلمات کلیدی: Polymorphism,12-Tungstoborate,L-proline,Inorganic-organic hybrid,Hydrothermal reaction
- چکیده:
- چکیده انگلیسی: A new structure related to previously reported structure of 12-tungstoborate Keggin-type polyoxometalate, K5[BW12O40], was synthesized and its characterization by single crystal X-ray diffraction shows the polymorph structure. Further attempts have been performed to provide three component compounds based on L-proline, lanthanoid cation and K5[BW12O40] (BW12 (II)) under hydrothermal conditions which is rarely reported in hybrid materials rather than other Keggin types. The proposed general structures contain lanthanoid dimers with amino acid bridges and BW12 (II), which characterized by elemental analysis, FT-IR spectroscopy and ICP (Inductively coupled plasma) method. Various types of interactions are established, depending on the POM shape and charge, the amino acid side chain, peptide sequence or protein structure. Experimental conditions such as temperature, acidity, solvent, etc. are also important factors that influence the binding/reactivity of POM with biomolecules, as described recently [13]. This understanding allows the adequate design of the POM-biomolecule couple for tailoring and controlling mechanisms of action such as catalysis, inhibition, and aggregation, or the crystallizing agent.
- انتشار مقاله: 08-05-1396
- نویسندگان: Mina Arefian,Masoud Mirzaei,Hossein Eshtiagh-Hosseini
- مشاهده