Ivanovo, Russia

Ivanovo State University of Chemistry and Technology or ISUCT is a research facility and a university located in Ivanovo, the administrative center of Ivanovo Oblast, Russia.It was founded in 1918 as Chemical Faculty of Ivanovo-Vosnesensk Polytechnic Institute. In 1930, Ivanovo-Vosnessensk Polytechnic Institute was split into four independent schools: Ivanovo Textile Institute, Ivanovo Power Institute, Civil Engineering Institute, and Ivanovo Institute of Chemistry and Technology . The latter gained a new status in 1992 and was renamed to Ivanovo State Academy of Chemistry and Technology, and in 1998 it was renamed again, becoming Ivanovo State University of Chemistry and Technology. ISUCT trained more than 35,000 engineers, about 1,000 Candidates of Science, and over 90 Doctors of Science during years of its existence.Currently the Ivanovo State University of Chemistry and Technology takes the 11th place in the rating of National Universities and Institutes. Wikipedia.

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Kolker A.M.,RAS Institute of Chemistry | Safonova L.P.,Ivanovo State University of Chemistry and Technology
Journal of Chemical Thermodynamics | Year: 2010

The molar heat capacities of the (water + acetonitrile) mixtures have been measured at T = (283.15, 298.15, 313.15, and 328.15) K as a function of mole fraction. The excess molar heat capacities, Cp E, limiting partial molar heat capacities of water and acetonitrile over(C, -)p {ring operator} have been calculated. The excess molar heat capacities are positive over the whole mole fraction range and increase with increasing temperatures from (283.15 to 328.15) K. The excess molar heat capacities have been fitted to the Redlich-Kister equation. © 2010 Elsevier Ltd. All rights reserved.

Makarov S.V.,Ivanovo State University of Chemistry and Technology | Silaghi-Dumitrescu R.,Babes - Bolyai University
Journal of Sulfur Chemistry | Year: 2013

In this paper, the implications of sodium dithionite and of some of its related compounds for the development of chemistry in the twentieth century, as well as their applications in newer fields of chemistry, are described. © 2013 Copyright Taylor and Francis Group, LLC.

Silaghi-Dumitrescu R.,Babes - Bolyai University | Makarov S.V.,Ivanovo State University of Chemistry and Technology
International Journal of Quantum Chemistry | Year: 2012

Siroheme-containing sulfite reductases (SiR) catalyze the six-electron reduction of sulfite to sulfide via a mechanism involving sulfite binding at the heme iron. The exact sequence in which the required electrons and protons are delivered to the heme-bound sulfite has received little attention to date. Here, a detailed account is given of these steps, based on density functional theory, thus providing data for the first attempt to draw a detailed picture of sulfite reduction in SiR by theoretical methods. Parallels are shown with reduction of other small molecules at heme centers: dioxygen (including generation of sulfide high-valent iron centers akin to hemoproteins Compounds I and II), nitrite (including linkage isomerism akin to the nitro/nitrito known for nitrite reducing proteins), or nitric oxide. © 2011 Wiley Periodicals, Inc.

Silaghi-Dumitrescu R.,Babes - Bolyai University | Makarov S.V.,Ivanovo State University of Chemistry and Technology
Journal of Biological Inorganic Chemistry | Year: 2010

The electronic structures of formally Fe(I) centers in thiolate-and imidazole-ligated hemoproteins are examined with density functional theory. The S = 1/2 spin state of the imidazole-ligated model apparently features a net total of one unpaired electron on the porphyrin, suggestive of a macrocycle-centered reductive process; however, this spin density originates from two different orbitals, each carrying 0.5 spin units on the porphyrin. Under these conditions, the system may be described as S = 3/2 Fe(I) (d 2 xyd 1 xz d 1 yz d 1 z 2) antiferromagnetically coupled to a porphyrin triplet state; nevertheless, there is still the caveat that the iron d xz and d yz orbitals are strongly mixed with porphyrin orbitals, to such an extent that they each harbor 0.5 spin units and hence an alternative description as Fe(II) or Fe(III) cannot be ruled out. Electromerism phenomena are described in the formally Fe(I) systems examined here, with electronic structures varying between Fe(II) and Fe(III) in various spin states, coupled either ferro-or antiferromagnetically to porphyrin radicals. The main factors controlling this electromerism appear to be the identity of the axial ligand, the iron-axial ligand bond length, and the overall spin state; heme deformations, ligand charge, or medium polarity do not appear to qualitatively affect the electronic structures of these systems. © SBIC 2010.

Zaichikov A.M.,Ivanovo State University of Chemistry and Technology
Journal of Structural Chemistry | Year: 2012

The structural and thermodynamic characteristics of amide solvents are calculated with different types of molecular self-assembly through hydrogen bonding. Under a model-based approach, the specific and nonspecific components of the total energy of intermolecular interactions are identified for primary, secondary, and tertiary amides of carboxylic acids. It is found that similarly to water, primary amides have a network of hydrogen bonds and belong to the class of liquids characterized by an increase in nonspecific interactions with temperature. In secondary amides with the chain self-assembly, the contribution of these interactions is practically independent of temperature, and in tertiary amides it decreases with an increase in temperature. The molar values of the specific and nonspecific components are used to analyze the intermolecular interactions and the structural properties of amides with different degrees of N-substitution. © 2012 Pleiades Publishing, Ltd.

Prokof'ev V.Yu.,Ivanovo State University of Chemistry and Technology
Kinetics and Catalysis | Year: 2012

Methods of measuring the characteristics of molding masses for extrusion are classified. It is suggested that the measurable properties be divided into two groups, one including structural mechanical properties and the other including rheological properties. For estimating the suitability of a molding mass for extrusion of catalysts of preset shape, it is necessary to carry out an integrated analysis of the properties of the mass. The optimum parameters of molding masses have been determined. © Pleiades Publishing, Ltd., 2012.

Vinogradov A.V.,Ivanovo State University of Chemistry and Technology | Agafonov A.V.,Ivanovo State University of Chemistry and Technology | Vinogradov V.V.,Ivanovo State University of Chemistry and Technology
Journal of Alloys and Compounds | Year: 2012

Synthesis of photochromic, highly photoactive Cu@TiO 2 films by low-temperature sol-gel route has been reported. The photoelectric properties of nanostructured non-calcined composite film are higher than that in individual compounds. Synthesized films are characterized by AFM, UV-vis absorption spectra and X-ray diffraction. The functional properties are estimated by photopolarization measurement. Titania films were soaked with a copper salt solution and chemical reduction treatments are performed using NaBH 4. We used P123 for protection metal surface and decreasing agglomeration activity. Also, the utilization of a mesoporous titania substrate allows to control the nanoparticle size and the interparticle distance. UV-vis absorption spectra experiments provide the evidence that UV illumination induces a strong accumulation of copper nanoparticles in the subsurface of the layer. © 2011 Elsevier B.V. All rights reserved.

Bushuev Y.G.,Ivanovo State University of Chemistry and Technology | Sastre G.,Polytechnic University of Valencia
Journal of Physical Chemistry C | Year: 2011

Water in pure silica zeolites (zeosils) may behave as a "bumper" by absorbing mechanical energy of the intruded water, as a "spring" by restoring after extrusion of the energy spent in intrusion, or as "shock absorber" by dissipating the energy. The understanding of how the structure and topology of the zeosils are responsible of such behavior has not yet been fully clarified. Molecular dynamics and molecular mechanics simulations of IFR- and TON-type zeosils have been performed in an attempt to elucidate the energetics of these materials after water intrusion-extrusion. We aim our simulations to capture the experimentally observed "bumper" and "spring" water-zeosil behavior of IFR and TON, respectively. The excess energy with respect to dry zeosil was calculated, and this relates to the energetic response of the zeosil after water intrusion. We found that the excess energy of water-TON is larger than the energy of bulk water at any loading. The small opening of the TON channel prevents the formation of energetically stable bulky water clusters. The water content was shown to be stabilized on a certain loading range in water-IFR. It was shown that any silanol defects in IFR framework channels stabilize systems. Defect positions (silanol groups), which make the water-IFR system energetically stable, are found. Silanol groups increase the hydrophilicity of IFR-type zeosil, initially hydrophobic. There are two factors explaining the bumper behavior (under high pressure, water penetrates into the zeosil channels and remains there even after the pressure is released) of water-IFR systems: channel size and hydrolisis leading to framework breaking under large hydrostatic pressure. Silanol groups in channels are centers of water clusterization. The chemical stability of TON framework and its small channel size explain its spring behavior. © 2011 American Chemical Society.

Timin A.S.,Ivanovo State University of Chemistry and Technology | Rumyantsev E.V.,Ivanovo State University of Chemistry and Technology
Journal of Sol-Gel Science and Technology | Year: 2013

The organic-inorganic composite materials based on mesoporous silica were synthesized using sol-gel method. The surface area of silicas was modified by bovine serum albumin (BSA) and guanidine polymers: polyacrylate guanidine (PAG) and polymethacrylate guanidine. The mesoporous silicas were characterized by nitrogen adsorption-desorption analysis, Fourier transform infrared spectroscopy, transmission electron microscopy. The obtained materials were used as adsorbents for selective bilirubin removal. It was shown that the structural properties and surface area of modified materials depend on the nature of polymers. Incorporation of polymers in silica gel matrix during sol-gel process leads to the formation of mesoporous structure with high pore diameter and a BET surface area equals to 346 m2/g for SiO2/BSA and 160 m2/g for SiO2/PAG. Analysis of adsorption isotherms showed that modification of silica by BSA and guanidine polymers increases its adsorption ability to bilirubin molecules. According to Langmuir model, the maximum bilirubin adsorption capacity was 1.18 mg/g. © 2013 Springer Science+Business Media New York.

Zakharov A.V.,Ivanovo State University of Chemistry and Technology
Structural Chemistry | Year: 2013

The gas-phase molecular structure of μ-oxo dimer of aluminium(III) porphyrin, (AlP)2O, has been studied for the first time by density functional theory calculations using the B3LYP and M06 functionals and triple-ζ valence basis sets. The molecule has two conformers with equilibrium structures of D 4d and D 4h symmetries with parallel macrocycles and aluminium-oxygen distances of 1.680-1.684 Å (M06/cc-pVTZ). The aluminium atom lies out of the plane of the four central nitrogen atoms and forms a square-based pyramid with them, with the following parameters (M06/cc-pVTZ): r(Al-N) = 2.030-2.031 Å, r(N·· ·N) = 2.803-2.804 Å (the side of the pyramid base), z(Al)-z(N) = 0.434-0.446 Å (the height of the pyramid). © 2013 Springer Science+Business Media New York.

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