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O.I. Bol’shakov1, bolshakovoi@susu.ru V.A. Potemkin1, potemkinva@susu.ru M.A. Grishina1, grishinama@susu.ru A.S. Galushko2, galas74@inbox.ru S.V. Merzlov1, bostonbruins.2011.6@gmail.com R.S. Morozov1, yanatulskoi@mail.ru A.O. Shchelokov1, artyom.shchelokov@yandex.ru V.V. Popov3, Popov.ioc@gmail.com 1 South Ural State University, Chelyabinsk, Russian Federation 2 Institute of Organic Chemistry of the Russian Academy of Sciences, Moscow, Russian Federation 3 Wayne State University, Detroit, MI, USA Большаков Олег Игоревич – кандидат химических наук, научный сотрудник Управления научной и инновационной деятельности, Южно-Уральский государственный университет. 454080, г. Челябинск, пр. им. В.И. Ленина, 76. E-mail: bolshakovoi@susu.ru Потемкин Владимир Александрович – научный сотрудник Управления научной и инновационной деятельности, Южно-Уральский государственный университет. 454080, г. Челябинск, пр. им. В.И. Ленина, 76. E-mail: potemkinva@susu.ru Гришина Мария Александровна – главный научный сотрудник Высшей медико- биологической школы, Южно-Уральский государственный университет. 454080, г. Челябинск, пр. им. В.И. Ленина, 76. E-mail: grishinama@susu.ru Галушко Алексей Сергеевич – аспирант лаборатории металлокомплексных и наноразмерных катализаторов (№ 30), Институт органической химии им. Н.Д. Зелинского, РАН. 119991, г. Москва, Ленинский пр. 47. E-mail: galas74@inbox.ru Мерзлов Сергей Владимирович – инженер кафедры экологии и природопользования, химический факультет, Южно-Уральский государственный университет. 454080, г. Челябинск, пр. им. В.И. Ленина, 76. E-mail: bostonbruins.2001.6@gmail.com Морозов Роман Сергеевич – аспирант кафедры экологии и природопользования, Южно- Уральский государственный университет. 454080, г. Челябинск, пр. им. В.И. Ленина, 76. E-mail: yanatulskoi@mail.ru Щелоков Артем Олегович – студент кафедры химической технологии, Южно-Уральский государственный университет. 454080, г. Челябинск, пр. им. В.И. Ленина, 76. E-mail: artyom.shchelokov@yandex.ru Попов Вадим Владимирович – постдокторант факультета биомедицинской инженерии, Университет Уэйна, Wayne State University, 42. W. Warren Ave. Detroit, MI 48202, MI, USA. E-mail: popov.ioc@gmail.com Affinity characteristics of biomolecules, such as peptides and proteins, towards inorganic surfaces in general and to titanium oxide in particular become crucial in biotechnology and bionanotechnology. Amino acids are often used as “model” bits of peptides or proteins for studying their properties in different environments, and/or developing functional surfaces. Despite the great demand for knowledge about amino acid interactions with metal oxide surface, studies on the issue lack in consistency and represent a fragmentary picture. This paper is an attempt to study amino acid adsorption on nanocrystalline anatase systematically at uniform conditions. Features of the L-alanine adsorption have been revealed and interpreted with quantum-chemical calculations. Особенности взаимодействия биомолекул, таких как протеины и пептиды с неорганическими поверхностями вообще и с оксидом титана в частности становятся ключевым фактором биотехнологии и бионанотехнологии. Аминокислоты часто используются в качестве модельных фрагментов пептидов и протеинов для изучения их свойств в различных средах и при изучении новых поверхностей. Несмотря на высокий запрос на фундаментальные представления о взаимодействии биомолекул с поверхностью оксида титана, знания в этой области представлены фрагментарно и не дают целостной картины. В этой статье проведена попытка изучения сорбции аминокислот на оксиде титана в унифицированных условиях. Сорбция L-аланина была интерпретирована квантово- механическим моделированием. The reported study was funded by RFBR according to the research project № 15-03-07834-a.

Elements the 3 and 5 of groups of the Periodic System and carbon are the most important impurities in silicon. The estimation technique of carbon, boron and phosphorus impurity content in high-purity monosilane has been proposed. The technique involves the preparation of polycrystalline silicon by silane decomposition, growing a test single crystal by the floating zone melting method and analysis of single crystal samples by IR spectroscopy. Calculation of impurity concentration in polycrystalline silicon has been performed using results on their content in the test single crystal samples, data on impurity distribution in the liquid-solid system and sample coordinates along the ingot length. Effective impurity distribution coefficients in the solid-liquid system for specific growing conditions have been calculated using the Burton-Prim-Slichter equation. Results for the test silicon samples with natural isotopic composition and 28Si isotope enriched ones obtained from monosilane samples with different impurity contents have been reported. Results on IR spectroscopic studies of impurity composition for the test silicon single crystal are in agreement with the concentration data obtained by chromatography. The concentration of 3 and 5 group impurities in monosilane were in the range 4x10−9−2x10−6 at. %, and for carbon concentration was 2x10−6–6x10−4 at.%. The measurement uncertainty by IR spectroscopy does not exceed 15% for carbon impurity and 20% for boron and phosphorus. We show that the upper limit of carbon content in monosilane detected using this method is determined by its solubility in silicon, while the bottom limit depends on the detection accuracy of the IR spectroscopy technique and possible background contamination.

We present a theory for modeling fluorescence-detected two-dimensional electronic spectroscopy of multichromophoric systems. The theory is tested by comparison of the predicted spectra of the light-harvesting complex LH2 with experimental data. A qualitative explanation of the strong cross-peaks as compared to conventional two-dimensional electronic spectra is given. The strong cross-peaks are attributed to the clean ground-state signal that is revealed when the annihilation of exciton pairs created on the same LH2 complex cancels oppositely signed signals from the doubly excited state. This annihilation process occurs much faster than the nonradiative relaxation. Furthermore, the line shape difference is attributed to slow dynamics, exciton delocalization within the bands, and intraband exciton-exciton annihilation. This is in line with existing theories presented for model systems. We further propose the use of time-resolved fluorescence-detected two-dimensional spectroscopy to study state-resolved exciton-exciton annihilation.

В настоящее время инфракрасную спектроскопию широко применяют в физико-химических исследованиях органического вещества почв. Данный метод позволяет получить строение молекулы гумусовых кислот, проследить за изменениями, протекающими в них под действием различных факторов, в первую очередь антропогенных. В данной работе проведено исследование по выявлению изменений, протекающих в гумусовых кислотах при длительном паровании почвы, внесении минеральных и органических удобрений, а также без них в бессменных посевах озимой ржи. Выявлено, что для всех гумусовых кислот характерно наличие полосы поглощения, вызванное валентными колебаниями метиленовых групп. Внесение органических и минеральных удобрений увеличивает гетерогенность компонентов гумусовых кислот и роль периферической части в составе молекулы, а длительное парование способствует увеличению центральной части., Currently infrared spectroscopy is widely used in physical-chemical studies of soil organic matter. This method allows to obtain, in general terms, the structure of the molecule of humic acids, to follow the changes occurring in them under the influence of various factors, primarily anthropogenic. In this work, a study was conducted to identify changes occurring in humic acids during long-term fallowing of the soil, the application of mineral and organic fertilizers, and also without them in permanent crops of winter rye. It was revealed that the presence of an absorption band caused by the stretching vibrations of methylene groups is characteristic of all humic acids. The application of organic and mineral fertilizers increases the heterogeneity of the components of humic acids and the role of the peripheral part in the composition of the molecule, and prolonged fallowing increases the central part.

Ермакова Валентина Андреевна - магистр кафедры теоретической и прикладной химии, Южно-Уральский государственный университет. 454080, г. Челябинск, проспект Ленина, 76. E-mail: valentinkaeva@bk.ru. V.A. Ermakova, valentinkaeva@bk.ru South Ural State University, Chelyabinsk, Russian Federation Взаимодействием бромидов тетраорганилфосфония с дибромодицианоауратом калия в растворе ацетонитрила синтезированы комплексы золота [Ph3PCH2QO)OH] [Au(CN)2Br2] (1), [Ph3PCH2CH=CH2][Au(CN)2] (2). Соединения 1 и 2 охарактеризованы методом ИК-спектроскопии и рентгеноструктурным анализом. По данным РСА, проведенного при 293 К на автоматическом четырехкружном дифрактометре D8 Quest Bruker (МоКа-излучение, X = 0,71073 А, графитовый монохроматор), атомы фосфора в катионах комплексов 1 и 2 имеют искаженную тетраэдрическую конфигурацию [C23H20N2Br2AuO2P] (1), M = 744,17; сингония моноклинная, группа симметрии Р2/с; параметры ячейки: a = 17,87(3), b = 7,833(10), c = 19,10(3) А; а = 90,00 град., в = 112,11(8) град., у = 90,00 град.; V = 2477(6) А3; размер кристалла 0,63 х 0,52 х 0,45 мм; интервалы индексов отражений -23 < h < 23, -9 < k < 9,-21 < l < 21; всего отражений 34113; независимых отражений 4592; Rmt == 0,1535; GOOF 1,030; Rx = 0,1279; wR2 = 0,2234; остаточная электронная плотность 3,99/-3,52 e/А-3, C23H20N2PAu (2), M 552,35; сингония моноклинная, группа симметрии P2i/n; параметры ячейки: a = 9,494(7), b = 14,956(13), c = 15,587(12) А; а = 90,00 град., в = 97,33(2) град., у = 90,00 град.; V = 2195(3) А3; размер кристалла 0,31 х 0,25 х 0,1 мм; интервалы индексов отражений -13 < h < 13, -21 < k < 21, -22 < l < 21; всего отражений 85407; независимых отражений 7250; Rint = 0,0533; GOOF 1,485; Rx = 0,1932; wR2 = 0,4118; остаточная электронная плотность 4,15/-8,01 e/А-3. Валентные углы СРС в 1 и 2 составляют 105,7(8)°-114,1(9)°для 1, 107,1(3)°-110,8(3)° для 2, длины связей P-С близки между собой 1,736(18)-1,82(2) А в 1; 1,794(6)-1,828(7) А в 2. Полные таблицы координат атомов, длин связей и валентных углов депонированы в Кембриджском банке структурных данных (№ 1920013 для 1, № 1919946 для 2,deposit@ccdc.cam.ac.uk; http://www.ccdc. cam.ac.uk). The interaction of tetraorganylphosphonium bromide with dibromodicyanoaurate potassium in acetonitrile solution synthesized the complexes [Ph3PCH2C(O)OH][Au(CN)2Br2] (1), [Ph3PCH2CH = CH2][Au(CN)2] (2). Compounds 1 and 2 were characterized by IR spectroscopy and X-ray diffraction. According to XRD data, carried out at 293 K on an automatic D8 QuestBruker four-circle diffractometer (MoKa radiation, X = 0.71073 A, graphite monochromator), phosphorus atoms in cations of complexes 1 and 2 have a distorted tetrahedral configuration [C23H20N2Br2AuO2P] (1), M = 744.17; monoclinic syngony, P2/c symmetry group; cell parameters: a = 17.87 (3), b = 7.833 (10), c = 19.10 (3) A; a = 90.00 degrees, p = 112.11 (8) degrees, у = 90.00 degrees; V = 2477 (6) A3; crystal size 0.63 x 0.52 x 0.45 mm; reflection index intervals -23 < h < 23, -9 < k < 9, -21 < l < 21; total reflections 34113; independent reflections 4592; Rmt 0.1535; GOOF 1.030; R1 = 0.1279; wR2 = 0.2234; residual electron density 3.99/-3.52 e/A3, [C23H20N2PAu] (2), M 552.35; monoclinic syngony, symmetry group P2j/ n; cell parameters: a = 9.494 (7), b = 14.956 (13), c = 15.587 (12) A; a = 90.00 degrees, P = 97.33 (2) degrees, у = 90.00 degrees; V = 2195 (3) A3; crystal size 0.31x0.25x0.1 mm; intervals of reflection indices -13 < h < 13, -21 < k < 21, -22 < l < 21; total reflections 85407; independent reflections 7250; Rmt 0.0533; GOOF 1,485; R1 = 0.1932; wR2 = 0.4118; residual electron density of 4.15/-8.01 e / A3. Valent angles of CPC in 1 and 2 are 105.7(8)°-114.1(9)° for 1, 107.1(3)°-110.8(3)° for 2, the lengths of the P-C bonds are close to each other: 1.736(18)-1.82(2) A to 1; 1.794(6) -1.828 (7) A to 2. Full tables of atomic coordinates, bond lengths and valence angles are deposited in the Cambridge structural data bank (# 1920013 for 1, 1919946 for 2, deposit@ccdc.cam.ac.uk; http://www.ccdc.cam.ac.uk).

Проведена совместная деструкция политетрафторэтилена (ПТФЭ) и никельсодержащих электродов в плазме высоковольтного импульсного разряда. Было обнаружено, что за счет разрушения ПТФЭ происходит образование углеродного материала, часть исходного ПТФЭ сохраняется с образованием композитного материала ПТФЭ–углерод. Изучены физико-химические свойства полученного материала., Destruction of polytetrafluoroethylene (PTFE) and nickel-containing electrodes in plasma of the high-voltage pulse discharge was conducted. It was revealed that there is a formation of a carbon material at the expense of PTFE destruction, the part of the initial PTFE remains with formation of a composite material PTFE–carbon. The physical and chemical properties of the received material were studied., №201(5) (2018)

The idea that excitonic (electronic) coherences are of fundamental importance to natural photosynthesis gained popularity when slowly dephasing quantum beats (QBs) were observed in the two-dimensional electronic spectra of the Fenna–Matthews–Olson (FMO) complex at 77 K. These were assigned to superpositions of excitonic states, a controversial interpretation, as the strong chromophore–environment interactions in the complex suggest fast dephasing. Although it has been pointed out that vibrational motion produces similar spectral signatures, a concrete assignment of these oscillatory signals to distinct physical processes is still lacking. Here we revisit the coherence dynamics of the FMO complex using polarization-controlled two-dimensional electronic spectroscopy, supported by theoretical modelling. We show that the long-lived QBs are exclusively vibrational in origin, whereas the dephasing of the electronic coherences is completed within 240 fs even at 77 K. We further find that specific vibrational coherences are produced via vibronically coupled excited states. The presence of such states suggests that vibronic coupling is relevant for photosynthetic energy transfer. The implications of coherence signals for the transfer of energy within the Fenna–Matthews–Olson complex of photosynthetic green sulfur bacteria is a well debated topic. Now, polarization-controlled 2D spectroscopy — aided by vibronic exciton modelling — has enabled the characterization of all such coherences and determination of their physical origins; while electronic coherences dephase extremely rapidly, ground- and excited-state vibrational coherences dominate.

Методом ИК-спектроскопии поглощения в области валентных колебаний ОН- групп исследована серия монокристаллов LiNbO3 : ZnO (0,04÷4,68 мол. % ZnO в кристалле). Установлено, что полосы поглощения с частотами 3483 и 3486 см-1 соответствуют колебаниям ((VLi)−–OH−)-комплекса. Дефектному комплексу ZnNb3-–OH−, присущему только кристаллу LiNbO3 : ZnО (4,68 мол. % ZnO), соответствуют полосы поглощения с частотами 3500 и 3527 см-1., A series of LiNbO3 : ZnО (0,04÷4,68 mol % ZnO in crystal) crystals have been researched by IR spectroscopy in the area of stretching vibrations of ОН- groups. Absorption bands with frequencies 3483 and 3486 cm-1 were detected to correspond to vibrations of ((VLi)−–OH−) complex. Absorption bands with frequencies 3500 and 3527 cm-1 correspond to a defect complex ZnNb3-–OH−, a characteristic of the crystal LiNbO3 : ZnО (4,68 mol % ZnO)., №1 (2018)

Biootpad rajčice predstavlja bogat izvor nutrijenata i fitokemikalija, između ostalog i karotenoidnih pigmenata, stoga se može iskoristiti za recikliranje u svrhu dobivanja biološki aktivnih spojeva. Ovim radom ispitana je i uspoređena učinkovitost izolacije karotenoida iz biootpada kore sušene rajčice primjenom dviju različitih metoda ekstrakcija, grijanjem u povrat ili refluksiranjem i ekstrakcijom po Soxhlet-u, uz korištenje niza otapala/ smjesa otapala različite polarnosti. Refluksiranjem su dobivene veće mase ekstrakata, kao i uporabom polarnijih otapala što upućuje na to da su temperatura i polarnost otapala važni parametri ekstrakcije. Dobiveni ekstrakti su pročišćeni preparativnom tankoslojnom i kolonskom kromatografijom te karakterizirani IR-spektroskopijom čime je potvrđena prisutnost karotenoida. Tomato waste is considered as a rich nutrient source containing phytochemicals, among which are carotenoids pigments, therefore it can be recycled for the uses of biologically active compounds. This thesis carried out and compared carotenoid isolation efficiency from dried tomato peel waste by applying two different extraction methods, classical extraction or refluxing and Soxhlet extraction, using a series of solvents of different polarity. Larger amounts of extracts were obtained by refluxing, as well as with more polar solvents indicating that temperature and solvent polarity are important extraction parameters. The extracts were purified by preparative thin layer and column chromatography, then characterized by IR-spectroscopy which confirmed the presence of carotenoids.

Разработана методика синтеза гуминового сорбента из сапропеля и исследована возможность сорбции фенола на сорбенте. Величина сорбционной емкости сорбента по фенолу не зависит от рН среды и составляет 130 мг/г. Показано, что процесс сорбции описывается уравнением изотермы Ленгмюра. Данные ИК-спектра указывают, что сорбция фенола происходит в результате ван-дер-ваальсова взаимодействия и образования водородных связей, The technique of synthesis of humic sorbent from sapropel is developed and the possibility of sorption of phenol on a sorbent is investigated. The sorption capacity of the sorbent by phenol is 130 mg/g. It is shown that the sorption process is described by the Langmuir isotherm. The IR spectrum data indicates that the phenol sorption occurs as a result of the van-der-waals interaction and the formation of hydrogen bonds., Вестник Омского Университета, №2(84) (2017)

Here we perform a comprehensive study of ultrafast molecular and vibrational dynamics of water confined in small reversed micelles (RMs). The molecular picture is elucidated with two-dimensional infrared (2D IR) spectroscopy of water OH stretch vibrations and molecular dynamics simulations, bridged by theoretical calculations of linear and 2D IR vibrational spectra. To investigate the effects of intermolecular coupling, experiments and modeling are performed for isotopically diluted (HDO in D2O) and undiluted (H2O) water. We put a separation of water inside RMs into two subensembles (water-bound and surfactant-bound molecules), observed by many before, on a solid theoretical basis. Water molecules fully attached to the lipid interface ("shell" water) are decoupled from one another and from the central water nanopool ("core" water). The environmental fluctuations are largely "frozen" for the shell water, while the core waters demonstrate much faster dynamics but still not as fast as in the bulk case. A substantial nanoconfinement effect on the dynamics of the core water is observed after disentanglement of the shell water contribution, which is fully confirmed by the simulations of 2D IR spectra. Current results provide new insights into interaction between biological objects like membranes or proteins with the surrounding aqueous bath, and highlight peculiarities in vibrational energy redistribution near the lipid surface.

International audience; Justicia secunda Vahl belongs to the family of Acanthaceae and is a barely examined species. In Latin America and Africa, the leaves of J. secunda are applied in ethnomedicine against indications related to anaemia [1], hypertension [2], and diabetes [3]. J. secunda grows wildly as well as in cultivation without any difficulties. Our extensive macroscopic and anatomical investigations [4] revealed that other closely related species are easily mistaken for J. secunda.The aim of this study was to establish Infrared (IR) spectroscopy as fast and reliable alternative for the proper identification of J. secunda. Cut and dried leaves of correctly identified J. secunda populations from Ecuador and French Guiana were applied to generate a database with 40 samples. In addition, correctly and incorrectly identified samples from the following materials were compared to the database: a greenhouse-cultivated population with origin in Venezuela and 20 voucher specimens from a wide region around the world. All IR spectroscopy measurements were conducted with dried leaf material that remained completely untreated prior to analysis.The data evaluation via principal component analysis lead to the result that IR spectroscopy is able to correctly identify J. secunda leaves as well as to distinguish the plant from other even closely related species. As a conclusion, we can present IR spectroscopy as fast and reliable alternative for plant identification.

Synthetic supports and coper(II) complexes anchored on themby an incipient wetness impregnation with subsequent drying at 100 °C have been characterized by IR and UV-vis diffuse reflectance spectroscopy. As can be seen, the synthetic zeolites demonstrate IR bands corresponding to both water molecule vibrations (stretching and deformation) and stretching vibrations of the crystal framework. The 6 main absorption bands in the IR spectrum of SiO2are characteristic of stretching and deformation vibrations of OH groups, water molecules, and the bonds in Si–O–Si, Si–O, and Si–OН fragments. Absorption bands in the IR spectrum of Al2O3correspond to stretching vibrations of OH groups bound to aluminum being in its tetrahedral (AlIV) and octahedral (AlVI) configurations. As appears from the UV-vis diffuse re-flectance spectra, on all supports under study, i.e. synthetic zeolites (NaX, NaA, KA), alumo-gel, and silica gel (KSMG grade), copper(II) is situated in the mixed-ligand (H2O, Cl-) octa-hedral surroundings. A wavelength corresponding to d-d transition in the Cu(II) ion anchored to the supports under study decreases in the order CuCl2/SiO2(KSMG) (820 nm) >CuCl2/NaA (733 nm) >CuCl2/Al2O3 (720 nm) ≈CuCl2/NaХ (716 nm) >CuCl2/KA (690 nm). Thus, in addi-tion to the geometry of the surface copper(II) complexes, it has been found that the role of the support is in the short-wave shifting of the band corresponding to d-d transition in the Cu(II) ion showing a distortion in the octahedral symmetry of Cu(II) environment., Методами ІЧ-спектроскопії та спектроскопії дифузного відбиття охарактеризовані синтетичні носії та встановлено геометрію комплексів купруму(ІІ), що закріплені на них методом імпрегнування по вологоємкості з наступною сушкою при 110 °С. На синтетичних носіях – цеолітах NaX, NaA, KA, а також алюмогелі та силікагелі (КСМГ) купрум(ІІ) знаходиться в змішано-лігандному (H2O, Cl-) октаедричному оточенні. Носій викликає короткохвильовий зсув смуги d-d–переходу в йоні Cu(II) у такій послідовності CuCl2/SiO2(КСМГ) (820 нм) >CuCl2/NaA (733 нм) >CuCl2/Al2O3 (720 нм) ≈CuCl2/NaХ (716 нм) >CuCl2/КА (690 нм).

During this study, Fourier transform infrared spectroscopy (FT-IR), near infrared spectroscopy (NIR) and Raman spectroscopy were applied to 55 samples of counterfeit and imitations of Viagra and 39 samples of counterfeit and imitations of Cialis. The aim of the study was to investigate which of these techniques and associations of them were the best for discriminating genuine from counterfeit and imitation samples. Only the regions between 1800-400 cm(-1) and 7000-4000 cm(-1) were used for FT-IR and NIR spectroscopy respectively. Partial least square analysis has been used to allow the detection of counterfeit and imitation tablets. It is shown that for the Viagra samples, the best results were provided by a combination of FT-IR and NIR spectroscopy. On the other hand, the best results for the Cialis samples were provided by the combination of NIR and Raman spectroscopy (1400-1190 cm(-1)). These techniques not only permitted a clear discrimination between genuine and counterfeit or imitation samples but also the distinction of clusters among illegal samples. This might be interesting for forensic investigations by authorities.

The optical adhesive NOA81 (Norland Products Inc.) is a promising UV-curable material for low-cost microfluidic applications. We demonstrated that its surface energy can be adjusted by different surface treatments or by mixing an additive in the uncured bulk polymer, which is a serious asset to the development of microfluidic systems. The surfaces were characterized by dynamic contact angle measurements and the chemical resistance of NOA81 microchannels was tested by flowing organic solvents therein. The control over the surface energy and the chemical resistance of the polymer was demonstrated by successful oil-in-water and water-in-oil droplet generation. (C) 2010 Published by Elsevier Ltd.

Novel mono-and binuclear metal complexes of Ni(II) based on 1-aryl-3-aryl(alkyl)-5-(benzothiazole-2-yl)formazanes were synthesized and their structures were studied by the electronic and IR spectroscopy, mass spectrometry and megnetochemical methods. © 2008 MAIK Nauka. This work was supported by the Russian Foundation for Basic Research (project nos. 06-03-08040ofi and 07-03-12050ofi).

The main purpose for this paper is to study iron artefacts excavated in the Black Earth harbour district of Birka. This locale, positioned on the island Björkö in Adelsö par. Sweden, is one of the mayor sites in regard to the Scandinavian Viking age. The how and why of the corrosive process will be touched upon. Specifically how archaeological iron interacts with the soil in which it is found, and what can be done to prevent unnecessary decay after excavation. This, in turn, leads to an observation of how methods have changed in regard to the conservation of archaeological iron, from the processes used in the early days of the field, to the more present day with the method utilized in this study. The conservation of said artefacts is for this study accomplished through the use of a conventional chemical method called EDTA. The usability of this method with waterlogged metallic artefacts is tested. The product of the conservation work revealed the objects to be mostly, iron rivets, bolts or nails. Not too surprising when the articles came from an area widely believed to be a harbour. This specific chemical solution proved not to be a sufficient conservation method for the waterlogged metal objects examined in this paper. This was due to the notably hard crust that covered the objects and the structural fragility of the artefacts. Specific analyses of some of the artefacts were undertaken due to the emergence of substantial amounts of depositions in the final steps of the process. Using XRD, XRF and IR-spectroscopy, the depositions were analysed and the result showed that the depositions most likely consists of a blend of non-water-soluble iron phosphates.

The annealing effect in the temperature range from 350 to 450 °С on the behavior of interstitial oxygen Оi dissolved in germanium and on optical properties of single crystals has been investigated by Fourier transformed infrared spectrometry. It was found that oxygen band maximum of 843 cm–1 shifted toward the 856 cm−1 with oxygen concentration increasing after annealing at the oxygen partial pressure ranged from 1 to 103 Pа. The annealing at lower values led to the decrease of 843 cm–1 band intensity due to the formation of thermal donors (TD) on the basis of dissolved oxygen atoms Оi. It was established that TD formation and the decrease of unbound oxygen concentration affected optical properties of the crystals.

Brown staining on both pristine and painted sandstone surfaces is a regular problem reported from new building construction and restoration actions. During the recent restoration of the Groser Wendelstein, an impressive airy stone staircase in the castle Hartenfels in Torgau, Germany, extensive brown staining appeared in distinctive places. Due to the fact that such an incidence occurred while desalination with poultice compresses the usually extreme rare chance of sampling was possible and executed. Several chemical tests combined with Nuclear Magnetic Resonance (NMR) and Infrared (IR) spectroscopy proved humic substances as causation of the intensive staining; therefore, recommendations for restoration are suggested.

Biocomposites based on carbonate-substituted hydroxyapatite synthesized from the biological source of calcium (Goloshchapov et al., 2013) and organic primer on the basis of amino acids found in the enamel tubules of teeth, namely, arginine, histidine, lysine and hyaluronic acid were obtained and studied in this work. Incorporation of organic primer into biocomposite formulation allowed us to obtain the emission characteristics (luminescence) that were identical to those inherent to the native tissues of the human tooth (enamel and dentine). Keywords: Biocomposites, IR-spectroscopy, Optical and emission properties, Hydroxyapatite, Human tooth tissues

Ni/NiO nanopowders with different metal and oxide phase ratio have been prepared by using thermal decomposition of nickel acetate ammine complexes which contain various ammonia concentrations at the temperature range 300 – 500 ºC in air. Obtained powders have been characterized by IR-spectroscopy, XRD and TG, DTA, DTG, TEM, laser granulometry, adsorption-structural method and layer-by-layer Auger analysis. Thermal decomposition of nickel ammine complexes occurred with formation of crystalline hydroxide containing and amorphous carbonate containing precursors. Changing of precursors composition with different NH3 content and annealing duration and temperature leads to different pore structure, agglomerate size of powders and determinates free and fixed carbon concentrations. Mean crystallite size of nickel depended on temperature only. In the temperature range from 350 to 500 °С the crystallite size of nickel has grown from 50 to 55 nm. Mean crystallite size of nickel oxide depended on temperature and ammonia content. In the temperature range from 350 to 500 °С the crystallite size of NiO has grown from 5 to 25 nm. Increasing ammonia content from 3.6 to 14.4 mol/mol Ni led to decreasing NiO crystallite size from 8–10 to 5 nm.

Protein aggregation is often associated with conformational and structural changes of secondary structure elements that may lead to exposure of some specific residues. Data obtained in our experimental work indicate that trehalose (1.0M) effectively prevent thermal inactivation and aggregation of lysozyme. In fact, following heat treatment, lysozyme generates insoluble aggregates which are almost completely absent in the samples incubated in the presence of the disaccharide. The experimental approach consists in studying FTIR spectra of intrinsic chromophores and VT-NMR measurements on lysozyme water mixtures in the presence of trehalose. FTIR measurements suggest that in the presence of 1.0 M of trehalose there is a clear decrease in the loss of α-helix structure and in the formation of intermolecularly aggregated structures. Electrospray ionization mass spectrometry (ESI-MS) was employed to characterize protein structural transition, highlighting as trehalose remarkably influenced solvent accessibility to the amide peptide backbone upon heat treatment, consequentially decreasing local protein environment changes. Complementary informations are also obtained by UV-vis spectroscopy measurements, Congo Red binding and activity determinations.

Carbon-based graphene-like material was obtained through microwave stimulated exfoliation of graph-ite oxide (GO). Properties of this material were investigated by multiple techniques including element analysis, X-ray photoelectron spectroscopy (XPS), mass-spectroscopy, infrared (IR) and Raman spectrosco-py, scanning electron microscopy (SEM) and broadband dielectric spectroscopy. Specific surface area and volume of microwave exfoliated graphite oxide (MEGO) reached 600 m2/g and 6 cm3/g, respectively. It is shown that during such explosive reduction process the sample emits CO2, CO and H2O and, in some cases, SO2 gases. The resulting reduced material exhibits IR spectra similar to that of graphite and a dc-conductivity of 0.12 S/cm. It is also shown that prolonged storage in ambient conditions leads to elevated oxygen content and decrease of specific surface area of the samples. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/35118

Ni/NiO nanopowders with different phase ratio have been prepared using thermal decomposition of nickel acetate ammine complexes containing various ammonia content in air at the temperature range 300 – 500 °C. Obtained powders have been characterized by IR-spectroscopy, XRD and TG, DTA, DTG, TEM, laser granulometry and adsorption-structural method. Thermal decomposition of nickel ammine complexes occurred with forming nickel hydroxide, carbonate and hydroxocarbonate ammines precursors. Composition of the precursors depended on temperature and ammonia content in initial complex. Mean crystallite size of nickel depended on temperature only. In the temperature range from 350 to 500 °C the crystallite size of nickel has grown from 50 to 55 nm. Mean crystallite size of nickel oxide depended on temperature and ammonia content. In the temperature range from 350 to 500 °C the crystallite size of NiO has grown from 5 to 25 nm. Increasing ammonia content from 3.6 to 14.4 mol/mol Ni led to decreasing NiO crystallite size from 8 – 10 to 5 nm. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/35125

One of effective methods to improve the properties of special bitumen is their chemical and physical modification. The chemical a proach suggests the oxidative polymerization is related to chain-radical reactions. Therefore, the modifiers which able to participate in the oxidation of crude naphtha residues, by chemical structuring of the segments of paraffinic chains followed by the formation of polycyclic naphtheno-aromatic fragments that contribute to gumming and preventing the crystalline phase of asphaltene formation are required. Analysis of physical-mechanical properties of the bituminous insulating material (BIM) obtained from oxidized tars showed the ambiguity of their assessment, i.e. the differences in the strength properties of the coatings (C) were observed at similar velocities of naphtha residue oxidation. Modification of the properties of oxidized bitumen occurs by alteration of the nucleus size and the solvate shell of a structurally complex unit (CSU), the introduction of a multi-component bifunctional modifier (MBM) that reduces the oxidation duration and improves the physical, mechanical and insulating properties of BIM. © IDOSI Publications, 2013.

При ацилировании 2,6-ди(алкоксикарбонил)-3,5-диметил-4-нитрозофенолята калия уксусным ангидридом и хлористым бензоилом получено 10 ранее неизвестных ацильных производных. Методами ЯМР Acylation reaction of potassium 2,6-di(alkoxycarbonyl)-3,5-dimethyl-4-nitrosophenolates was used to obtain 10 new compounds. It was shown using