Хімія та хімічні технології (CCT-2011). – 2011 р.

Permanent URI for this collectionhttps://ena.lpnu.ua/handle/ntb/28780

Матеріали ІI Міжнародної конференції молодих вчених

У збірнику опубліковано матеріали конференції, присвяченої проблемам у галузі хімії та їх хімічних технологій. Видання призначено для науковців, аспірантів, студентів.

Хімія та хімічні технології : матеріали ІI Міжнародної конференції молодих вчених CCT-2011, 24–26 листопада 2011 року, Україна, Львів / Міністерство освіти і науки, молоді та спорту України, Національний університет "Львівська політехніка". – Львів : Видавництво Львівської політехніки, 2011. – 288 c. – (3-й Міжнародний молодіжний фестиваль науки "Litteris et Artibus").

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Ab initio study of metalosalen complexes binding to DNA
(Видавництво Львівської політехніки, 2011) Jahangiri Lahkani Marjane; Ghassemi Ghassem; Sohrabi Nasrin; Rasooli Nahid
Geometry optimizations of metal complexes of Salen(bis(Salicylidene)1,2-ethylenediamine) were carried out at HF(Hartree-Fock) and DFT(Density Functional Theory) methods employing Lanl2DZ basis set. In this work structural,energies, bond lengths and other physical properties between Mn2+,Cu2+ and Ni2+ ions coordinated by salen–type ligands are examined. All calculations were performed using Gaussian 98W program series. To investigate local aromaticities, NICS(Nucleous Independent Chemical Shift) were calculated at all centers of rings. The higher the band gap indicating a higher global aromaticity. The possible binding energies have been evaluated. We have evaluated Frequencies and Zeropoint energy with freq calculation. The NICS Results show Ni(II) complexes are antiaromatic and aromaticites of Mn(II) complexes are larger than Cu(II) complexes. The energy Results show Cu(II) complexes are stability than Mn(II) and Ni(II) complexes.
Carbon nano-onions in composites: properties and application
(Видавництво Львівської політехніки, 2011) Breczko, Joanna; Płońska-Brzezińska, Marta; Winkler, Krzysztof; Echegoyen, Luis
A novel type of a composite made of small carbon nanoonions (CNOs) with poly(diallyldimethylammonium chloride) (PDDA) or chitosan (CHIT) was prepared and its electrochemical properties were investigated by cyclic voltammetry and electrochemical impedance spectroscopy. Solid composite films were prepared on the glassy carbon electrode surface by solvent evaporation from drop of solution containing CNOs with the filler (PDDA or CHIT). They form relatively porous structures, which exhibit typical capacitive behaviour, as well as excellent mechanical and electrochemical stability over a wide potential window. Better properties of the PDDA/CNOs and CHIT/CNOs composites in comparison with pure CNOs are hoped to allow them to be used in electrochemical sensing. Electrochemical properties of PDDA/CNOs film in PBS solution were examined and their ability to dopamine determination was verified. The composite can be applied not only to determination of a dopamine in a presence of ascorbic acid (AA) and uric acid (UA), but also let for simultaneous assays for all three biomolecules in the same solution.
Cинтез і електричні властивості композитів стиромаль – поліортотолуїдин
(Видавництво Львівської політехніки, 2011) Рій, Уляна; Дутка, Володимир; Аксіментьєва, Олена
Синтезовано електропровідні композити стиромалю з поліортотолуїдином. Показано, що в ході окислювальної поліконденсації о-толуїдину стиромаль суттєво впливає на швидкість процесу утворення поліортото-луїдину. Досліджено залежність питомого опору отриманих композитів від їх складу і показано, що така залежність має перколяційний характер. На основі температурної залежності питомого опору отриманих композитів зроблено висновок, що стиромаль не змінює напівпровідникового характеру провідності композиту, але спричиняє зростання енергії активації перенесення заряду. Згідно даних оптичної мікроскопії електропровідний полімер у матриці стиромалю формує власні канали провідності, які при збільшенні концентрації поліортотолуїдину ведуть до утворення розгалуженої фібрильної структури композиту. Значення питомої електропровідності композитів дозволяють рекомендувати їх для отримання антистатичних покрить.
D3-трисгомокубілалканаміни – нові інгібітори М2 каналу вірусу грипу
(Видавництво Львівської політехніки, 2011) Ковальчук, Ігор; Жигадло, Євгенія; Гайдай, Олександр; Левандовський, Ігор; Шубіна, Тетяна
Пошук діючих речовин проти новіх резистивних штамів вірусу грипу є однією з важливих задач сьогоденя. Проведений молекулярний докінг по М2 каналу вірусу грипу показав що D3 трисгомокубанові аналоги ремантадину можуть проявляти кращу активність ніж сам ремантадин. З метою підтвердження розрахунків для перевірки противірусної активності було розроблено ефективний медод одержання амінів виходячи із D3-трисгомокубанової кислоти.
Dissolved organic matter removal by coagulation using aluminium sulphate
(Видавництво Львівської політехніки, 2011) Brovkina, Julija; Shulga, Galia; Ozolins, Juris
Wastewater from plywood hydrothermal basin is characterized by the high degree of contamination. The basic contaminating components of this wastewater are hemicelluloses, lignin and extractives of wood (HLE). The main objective of this research was to investigate the efficiency of coagulation process for removing HLE. Aluminium sulphate as coagulant was examined in bench scale jar test studies. The effects of pH, coagulant dosages and temperature were studied.
Enzymatic synthesis of (R)-mandelonitrile by using cross linked enzyme aggregates of Prunus cerasifera hydroxynitrile lyase
(Видавництво Львівської політехніки, 2011) Dilek Alagöz; Yıldırım Deniz; Tükel S. Seyhan
In this study, cross-linked enzyme aggregates (CLEA) of Prunus cerasifera hydroxynitrile lyase (PcHNL-CLEA) were prepared from seeds of Prunus cerasifera and characterized for the first time. The influence of pH and temperature on the PcHNL-CLEA lyase activity was investigated. The optimal pH and temperature for lyase activity of PcHNL-CLEA were 5.5 and 25°C, respectively. We determined Km and Vmax of PcHNL-CLEA as 4.0 mM and 22 U/g PcHNL-CLEA, respectively. The thermal stability of PcHNL-CLEA at 25 and 50°C was studied. PcHNL-CLEA retained 72% of its initial activity when incubated at 25°C and 54% of initial activity when stored at 50°C at the end of 16 hours. The PcHNLCLEA was also used for the enantiopure mandelonitrile synthesis from benzaldehyde and potassium cyanide. The yield and enantiopurity of (R)-mandelonitrile were obtained as 100 and 94% respectively.
Features of methane steam reforming over NiO aerosol nanoparticles
(Видавництво Львівської політехніки, 2011) Glikin, Marat; Kudryavtsev, Sergiy; Mahmmod, Saif
This paper represents as an investigation of methane steam reforming over NiO aerosol nanoparticles. Its been approved that the aerosol nanoparticles play the major rule in the Techcnology of aerosol nanocatalysis (AnC) which been applied on the reaction of methane steam reforming. The AnC allows us to obtain super active catalysts in virtue of permanent mech-chem activation over the surface of catalyst particles in situ.
Heterogeneous photocatalysis for selected atypical antipsychotic removal from river waters
(Видавництво Львівської політехніки, 2011) Regulska, Elżbieta; Karpińska, Joanna
Heterogeneous photocatalysis of selected atypical antipsychotic, namely olanzapine, was examined. Photocatalytic degradation of above mentioned pharmaceutic was investigated in deionized and river water solution in the presence of titanium dioxide as a photocatalyst. River water samples were collected from Narew and Marycha, which run in the east of Poland. Studied irradiation sources included ultraviolet radiation and simulated solar light. Photodegradation efficiency and the presence of possible arising intermediates were examined by highperformance liquid chromatography with ultraviolet detection. Photocatalytic degradation efficiencies were significantly enhanced in the river water solutions compared to the synthetic deionized water. They also reached higher levels in case of utilizing solar light instead of ultraviolet radiation. Degradation extent was assessed by the HPLC peak area for olanzapine after exact time of irradiation.
Investigation of neighbour group effects in releasing of 5-aminosicylic acid from acrylic polymeric prodrugs
(Видавництво Львівської політехніки, 2011) Babzadeh, Mirzaagha; Naserian, Sona
Acrylic-type polymeric systems having degradable ester bonds linked to 5-ASA were synthesized and evaluated az materials for drug delivery. prodrugs. 5-aminosalicylic acid (5-ASA) was linked to 2-hydroxypropyl methacrylate by carbonyldiimidazole (CDI) to obtain metachryloyloxy propyl 5-amino salicylate. The resulting acrylic derivative of 5-ASA was copolymerized with 2-hydroxyethyl methacrylat, methyl metacrylat and 2-ethylh hexyl acrylate (in 1:3 mole ratio) by free radical polymerization method in N,N-dimethyl formamid solution, utilizing benzoyl peroxide as an initiator at 70 °C. The obtained polymer was characterized by FT-IR .Gel permeation chromatography was used for determination of average molecular weights of polymers bearing drug units as side substituents of the acrylic backbone. Release studies of 5-ASA were performed into dialysis bags by hydrolysis buffered solutions (pH 1, 7.4, 10) at 37 ºC . Detection of hydrolysis by UV spectroscopy at selected interval showed that the drug can be released by selective hydrolysis of the ester bond at the side of drug moiety. The release profiles indicated that the hydrolytic behavior of polymeric prodrugs is strongly based on the hydrophobicity of polymer and the pH of the hydrolysis solution.
Investigations of VOx/SBA-15 catalytic performance in propane dehydrogenation with CO2
(Видавництво Львівської політехніки, 2011) Zeńczak, Kamila; Michorczyk, Piotr; Ogonowski, Jan
The catalytic activity of V-containing SBA-15 materials wereprepared by incipient wetness method and tested in propane dehydrogenation with carbon dioxide. It has been found that vanadium catalysts show relatively high catalytic activity and selectivity to propene. The highest activity exhibits the sample containing 5 wt. % of V. At temperature 823 K, propane conversion and propene selectivity were 26,7%, while 70 %, respectively.
Kal(SO4)2.12H2O: An efficient and reusable catalyst for the synthesis of quinolines, via Friedländer annulation, under solvent free conditions
(Видавництво Львівської політехніки, 2011) Kumar, Sanjay; S. Sohal, Harvinder; Goyal, Arun
A mild, efficient and solvent free version of Friedländer annulation of 2-amino ketones and a-methylene carbonyl compounds for the synthesis of polysubstituted quinolines using alum (Kal(SO4)2.12H2O), as an inexpensive and reusable catalyst, in excellent yields is described. All the compounds are characterized by use of spectroscopic measurements (FT-IR, 1H NMR) and elemental analyses. This method provides several advantages such as mild reaction conditions, devoid of harsh reagents, simple work-up procedure, and is environment friendly.
Kinetic of the [2 +3] cycloaddition of Z-C-aryl-N-phenylonitrones with 1-bromo-1-nitroethene
(Видавництво Львівської політехніки, 2011) Mikulska, Maria; Barański, Andrzej
Kinetic measurements of the [2+3] cycloaddition reaction between 1-bromo-1-nitroethene and Z-C-aryl-N-phenylnitrones were carried out. Kinetic studies proved that despite the high p-deficiency of the nitroalkene, the reactions proceed according to the concerted mechanism. This is evidenced in particular by the character of the Dimroth-Hammet correlation.
New transformation methods of Δ14,15 bond applied to certain cephalostatin analogue
(Видавництво Львівської політехніки, 2011) Nawasreh, Mansour; ElDamen, Murad
An unusual chlorination method was applied to protect simultaneously both Δ14,15 bond and carbonyl group in an analogue of the cephalostatin 1 I (a tumor inhibitor marine natural product). This method based on unusual reaction between commercially undistilled dichloromethane and diacetoxy iodosobenzene to give an intermediate reacting then with the diketone II leading finally to 14β,15α- dichlorodiketone IV. In addition, selective epoxidation of the double bond in II using lithium metal in THF gave compound VIII in a fair yield. Both processes are environmentally friendly processes and the products IV and VIII undergo chemoselective carbonyl reduction in the unfunctionalized side.
Partial purıfication of catalase from the cucumber (cucimus sativus)
(Видавництво Львівської політехніки, 2011) Bilgin, Ramazan; Seriner, Ramazan; Serkan, Yalcin M.
In this study, catalase (E.C.1.11.1.6) activities were determined in the extract of cucumber (Cucimus Sativus) activities were determined after homogenization, ultracentrifugation and DEAEcellulose ion exchange column chromotography steps After the ultracentrifugation step, catalase activities were found as 46.51 U/mg prot. and 3.19 U/mg prot., respectively. Afterdesalting with column chromotography, catalase spesific activities were found as 393 U/mg prot. and 0.479 U/mg prot., respectively. Enzyme preparations were stored at after 96 hours catalase lost almost all of its activity.
Preparation, characterization and catalytic performance of mesoporous Ga and Ga-Al oxides
(Видавництво Львівської політехніки, 2012) Michorczyk, Piotr; Kuśtrowski, Piotr; Kolak, Agnieszka; Żurek, Krzysztof
Mesoporous Ga- and Ga-Al oxides were prepared by nanoreplication technique using CMK-3 matrix as a rigid template. The catalytic performance of mesoporous Ga2O3 and mixed Ga2O3-Al2O3 materials were investigated in the dehydrogenation of propane to propene with CO2 at 823 K.
Quantumchemical study of the [2+3] cycloaddition of nitroethene with (Z)-C,N-diphenylnitrone
(Видавництво Львівської політехніки, 2011) Jasiński, Radomir; Jasińska, Ewa; Mikulska, Maria
Global and local reactivity indexes indicate polar character of the [2+3] cycloaddition of nitroethene to (Z)-C,Ndiphenylnitrone. The regioselectivity of these reaction is determined by the attack of oxygen-centered nucleophilic site of the nitrone on b-carbon atom in nitroethene. This is confirmed by B3LYP/6-31G(d) simulations of the reaction pathways.
Rapid identification and quantificative analysis of saponin oleanolic acid from root of talinum patens by thin layer chromatography and uv-vis spectroscopy
(Видавництво Львівської політехніки, 2011) Truong Thi Dieu Hien; Diep Thanh Truyen
Saponin and its hydrolytes are the usefully natural compounds in the medicinal production as well as functional food. Portulacaceae is one of the most considerably herbal families. In which, Talinum patens is well-known not only a leaf vegetable but also a valuably medicinal herb. It is useful to treat many various deseases thanks to contain the bioactive materials such as: triterpenoids, anthriquinon, saponin, polyuronic, organic acid and sucrose.... Oleanolic acid (a kind of sapogenin) is formed by the hydrolyzed saponin in the plant cells. The main goal of this study was to forecast rapid and available methods to obtain a first indication of saponin oleanolic acid in the solven extraction from any plant which containing these compounds. The T. patens’ roots were used as the first sample for analyses. The autolyzed dried-roots were extracted by the other solvents. The residue compound was determinated by thin layer chromatography (TLC) in the solvent buffers: chloroform – methanol (9:1 v/v); toluen – diethyl acetate (7:3 v/v). As a result, the chromatograms indicated that the analysed material contained saponin oleanolic acid (violet spots). Besides, a novel and simple ultraviolet Vis spectroscopy was also applied to quantificative analysis for this work. Quantification was performed by densitometry λ = 540 nm. 0.94% w/w saponin oleanolic acid was found in the roots biomass (based on oleanolic acid reference). The obtained results showed oleanolic acid can be detected and measured repidly, accurately, specifically and less expensively by TLC and UV-Vis spectroscopy. They are useful for the qualtative as well as quantitative determination of oleanolic acid in the different solvents, and significant in the improvement of the compounds’ identification processes.
Steric bulkness of diamondoidyl substituents
(Видавництво Львівської політехніки, 2011) Barabash, Anastasia; Biletskiy, Bogdan; Maksimyuk, Yuriy; Butova, Ekaterina; Fokin, Andrey
The influence of the diamondoidyl substituent on the reaction center was investigated experimentally and computationally. Calculations were provided at DFT and DFT-D,using B3LYP, B97D and M062X functionals. Experimental investigation was made by studying the Corey-Chaykovsky reaction. The latter was explored with dimethylsulfoxonium methylide and diamondoidyl ketones, which has different distance between the carbonyl group and the cage. Diamondoidyl substituent was shown to have negligible effect on the reactive center within 2 CH2 groups. While in ketones, bearing one CH2 group between cage and carbonyl, it hampers tetrahedization of the reactive center. In case of methyl diamondoidyl ketones the cage hinders the access of the reagent.
Synthesis and characterization of aminosilane-coated superparamagnetic iron oxide nanoparticles (SPIONs)
(Видавництво Львівської політехніки, 2011) Markiewicz, Karolina; Rynkiewicz, Justyna; Niemirowicz, Katarzyna; Wilczewska, Agnieszka Z.
Magnetic nanoparticles coated with diverse aminosilane shells were synthesized. The size, structure and chemical composition of the nanoparticles were determined by various techniques, including transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR) and differential scanning calorymetry (DSC). These results are valuable for assessing the future applications of such magnetic silica nanospheres in biomedicine.
Synthesis of aryl-fused 1,4-oxazines and 1,4-oxazepines
(Видавництво Львівської політехніки, 2011) Śmist, Małgorzata; Kwiecień, Halina
Simple routes for the synthesis of 1,4-benzoxazin-3-ones, 1,4-naphthoxazin-3-ones and 1,4-naphthoxazepin-3-ones are described herein. 1,4-Naphthoxazepin-3-ones were prepared by reductive amination of appropriate formyl esters. This synthesis proceeded via azines which underwent reduction with the use of aluminum amalgam and subsequent ring closure. On the other hand, derivatives of aryl-fused 1,4-oxazines were obtained from corresponding nitro esters by catalytic reduction with hydrogen and simultaneous intramolecular cyclization of amine intermediate.