• Title/Summary/Keyword: Crystal formation

Search Result 1,000, Processing Time 0.027 seconds

A Density Functional Theory Investigation on Intramolecular Hydrogen Transfer of the [Os3(CO)11P(OMe)3(Ru(η5-C5H5))2] Cluster

  • Buntem, Radchada;Punyain, Kraiwan;Tantirungrotechai, Yuthana;Raithby, Paul R.;Lewis, Jack
    • Bulletin of the Korean Chemical Society
    • /
    • v.31 no.4
    • /
    • pp.934-940
    • /
    • 2010
  • The reduction of [$Os_3(CO)_{11}P(OMe)_3$] and subsequent ionic coupling of the reduced species with $[Ru({\eta}^5-C_5H_5)(CH_3CN)_3]^+$ resulted in the formation of [$Os_3(CO)_{11}P(OMe)_3(Ru({\eta}^5-C_5H_5))_2$] which can be converted to spiked tetrahedral cluster, [$HOs_3(CO)_{11}P(OMe)_3Ru_2({\eta}^5-C_5H_5)(C_5H_4)$] via the intramolecular hydrogen transfer. Due to the unavailability of a suitable single crystal, the PW91/SDD and LDA/SDD density functional methods were used to predict possible structures and the available spectroscopic information (IR, NMR) of [$Os_3(CO)_{11}P(OMe)_3(Ru({\eta}^5-C_5H_5))_2$]. The most probable geometry found by constrained search is the isomer (a2) in which the phosphite, $P(OMe)_3$, occupies an axial position on one of the two osmium atoms that is edge bridged by the $Ru(CO)_2({\eta}^5-C_5H_5)$ unit. By using the most probably geometry, the predicted infrared frequencies and $^1H$, $^{13}C$ and $^{31}P$ NMR chemical shifts of the compound are in the same range as the experimental values. For this type of complex, the LDA/SDD method is appropriate for IR predictions whereas the OPBE/IGLO-II method is appropriate for NMR predictions. The activation energy and reaction energy of the intramolecular hydrogen transfer coupled with the structural change of the transition metal framework were estimated at the PW91/SDD level to be 110.32 and -0.14 kcal/mol respectively.

Anisotropic Mechanical Properties of Pr(Co,In)5-type Compounds and Their Relation to Texture Formation in Die-upset Magnets

  • Kwon, H.W.;Kim, D.H.;Yu, J.H.
    • Journal of Magnetics
    • /
    • v.16 no.3
    • /
    • pp.220-224
    • /
    • 2011
  • Die-upset magnets from a mechanically-milled Pr(Co,In)$_5$-type alloy are known to have a peculiar texture; the easy magnetization axis (c-axis) is perpendicular to the pressing direction. This peculiar texture is thought to be linked closely to the anisotropic mechanical properties of Pr(Co,In)$_5$-type hexagonal compounds. The hardness of the Pr(Co,In)$_5$-type crystal was measured using selectively grown grains in an annealed $Pr_{17}Co_{82}In_1$ alloy button, and the crystallographic orientation was determined by observing the magnetic domain image. The hardness (549 VHN) on the plane with a 'cogwheel'-type domain image was significantly higher than that (510 VHN) on the plane with a 'cigar'-type domain image, indicating that the inter-layer bonding force between the (000l) basal planes is stronger than that between the (hki0) planes. This suggests that the most probable slip plane is the (hki0) plane parallel to the c-axis. During die-upsetting of the Pr(Co,In)$_5$-type alloys the deformation proceeds by (hki0) plane slip, and the c-axis rotates to ultimately become oriented perpendicular to the pressing direction. It is proposed that the peculiar texture in the die-upset Pr(Co,In)$_5$-type magnets is probably developed by slip deformation of the (hki0) plane of the Pr(Co,In)$_5$-type grains.

Fabrication and Characterization of (1-x)BiFeO3-xBaTiO3 Ceramics Prepared by a Solid State Reaction Method

  • Chandarak, S.;Unruan, M.;Sareein, T.;Ngamjarurojana, A.;Maensiri, S.;Laoratanakul, P.;Ananta, S.;Yimnirun, R.
    • Journal of Magnetics
    • /
    • v.14 no.3
    • /
    • pp.120-123
    • /
    • 2009
  • In this study, BiFe$O_3$-BaTi$O_3$ ceramics have been fabricated by a solid-state reaction method. The effects of BaTi$O_3$ content in the (1-x)BiFe$O_3$-xBaTi$O_3$ (x = 0.1, 0.2, 0.25, 0.3, 0.4, 0.5) system on crystal structure and magnetic, dielectric, and ferroelectric properties were investigated. Perovskite BiFe$O_3$ was stabilized through the formation of a solid solution with BaTi$O_3$. Rhombohedrally distorted structure (1-x)BiFe$O_3$-xBaTi$O_3$ ceramics showed strong ferromagnetism at x = 0.5. Dielectric and ferroelectric properties of the BiFe$O_3$-BaTi$O_3$ system also changed significantly upon addition of BaTi$O_3$. It was found that the maximum dielectric and ferroelectric properties were exhibited in the (1-x)BiFe$O_3$-xBaTi$O_3$ system at x = 0.25. This suggested the morphotropic phase boundary (MPB) with the coexistence of both rhombohedral and cubic phases of the (1-x)BiFe$O_3$-xBaTi$O_3$ system at x = 0.25.

Lateral alveolar ridge augmentation procedure using subperiosteal tunneling technique: a pilot study

  • Kakar, Ashish;Kakar, Kanupriya;Sripathi Rao, Bappanadu H.;Lindner, Annette;Nagursky, Heiner;Jain, Gaurav;Patney, Aditya
    • Maxillofacial Plastic and Reconstructive Surgery
    • /
    • v.40
    • /
    • pp.3.1-3.8
    • /
    • 2018
  • Background: In this research article, we evaluate the use of sub-periosteal tunneling (tunnel technique) combined with alloplastic in situ hardening biphasic calcium phosphate (BCP, a compound of β-tricalcium phosphate and hydroxyapatite) bone graft for lateral augmentation of a deficient alveolar ridge. Methods: A total of 9 patients with deficient mandibular alveolar ridges were included in the present pilot study. Ten lateral ridge augmentation were carried out using the sub-periosteal tunneling technique, including a bilateral procedure in one patient. The increase in ridge width was assessed using CBCT evaluation of the ridge preoperatively and at 4 months postoperatively. Histological assessment of the quality of bone formation was also carried out with bone cores obtained at the implant placement re-entry in one patient. Results: The mean bucco-lingual ridge width increased in average from 4.17 ± 0.99 mm to 8.56 ± 1.93 mm after lateral bone augmentation with easy-graft CRYSTAL using the tunneling technique. The gain in ridge width was statistically highly significant (p = 0.0019). Histomorphometric assessment of two bone cores obtained at the time of implant placement from one patient revealed 27.6% new bone and an overall mineralized fraction of 72.3% in the grafted area 4 months after the bone grafting was carried out. Conclusions: Within the limits of this pilot study, it can be concluded that sub-periosteal tunneling technique using in situ hardening biphasic calcium phosphate is a valuable option for lateral ridge augmentation to allow implant placement in deficient alveolar ridges. Further prospective randomized clinical trials will be necessary to assess its performance in comparison to conventional ridge augmentation procedures.

A STUDY ON THE BONDING BEHAVIOR OF PALLADIUM-BASED ALLOYS FOR CERAMO-MENTAL RESTORATION (도재 소부용 팔라디움계 합금의 도재 결합양상에 관한 연구)

  • Chang, Hoon;Lim, Ho-Nam;Choi, Boo-Byung
    • The Journal of Korean Academy of Prosthodontics
    • /
    • v.27 no.1
    • /
    • pp.143-179
    • /
    • 1989
  • To observe the bonding behavior of palladium-based alloys to porcelain; 1. Pd-Co binary alloy with the higher cobalt content, 2. Pd-Co binary alloy with the lower cobalt content, 3. Pd-Ag-Sn ternary alloy, 4. Pd-Ag binary alloy, 5. Pd-Cu-Au ternary alloy and 6. Pd-Cu binary alloy were made as 6 groups of experimental alloys. Each group of alloy was divided into 4 sub-groups such as one sub-group that was not degassed and three sub-groups that degassed for 5 minutes, 10 minutes and 15 minutes. On each specimen, weight changes after degassing, morphological changes of oxide layer by changing the degassing time, compositional changes at metal-ceramic interface and bond strength of metal-ceramic measured with planar shear test were observed and compared. The results of the present study allow the following conclusions to be drawn: 1. The alloy showing the greatest bond strength was Pd-Cu alloy without gold and bond strength was decreased by alloying gold to them. 2. Although Pd-Co alloy showed the most prominent oxidation behavior, bond strength of them to porcelain was not greatly high by the formation of porosities at metal-ceramic interfaces. 3. Likewise tin, cobalt formed the peaks on line profiles at metal-ceramic interface, however copper did not exhibit such peaks on line profiles. 4. Mainly, oxide layer on Pd-Co alloy was composed with cobalt, and for Pd-Co alloy with higher cobalt content the rise of bond strength was not significant by increased degassing time. 5. On Pd-Ag alloy not containing tin, during degassing for 15 minutes silver content was increased at metal-ceramic interface. 6. As an oxidized element, tin formed the oxide layers that widen their area by increasing the degassing time, while cobalt and copper showed the morphological changes of particle or crystal on oxide layer.

  • PDF

Effect of citrate coated silver nanoparticles on biofilm degradation in drinking water PVC pipelines

  • Nookala, Supraja;Tollamadugu, Naga Venkata Krishna Vara Prasad;Thimmavajjula, Giridhara Krishna;Ernest, David
    • Advances in nano research
    • /
    • v.3 no.2
    • /
    • pp.97-109
    • /
    • 2015
  • Citrate ion is a commonly used reductant in metal colloid synthesis, undergoes strong surface interaction with silver nanocrystallites. The slow crystal growth observed as a result of the interaction between the silver surface and the citrate ion makes this reduction process unique compared to other chemical and radiolytic synthetic methods. The antimicrobial effects of silver (Ag) ion or salts are well known, but the effects of citrate coated Ag nanoparticles (CAgNPs) are scant. Herein, we have isolated biofilm causative bacteria and fungi from drinking water PVC pipe lines. Stable CAgNPs were prepared and the formation of CAgNPs was confirmed by UV-visible spectroscopic analysis and recorded the localized surface plasmon resonance of CAgNPs at 430 nm. Fourier transform infrared spectroscopic analysis revealed C=O and O-H bending vibrations due to organic capping of silver responsible for the reduction and stabilization of the CAgNPs. X-ray diffraction micrograph indicated the face centered cubic structure of the formed CAgNPs, and morphological studies including size (average size 50 nm) were carried out using transmission electron microscopy. The hydrodynamic diameter (60.7 nm) and zeta potential (-27.6 mV) were measured using the dynamic light scattering technique. The antimicrobial activity of CAgNPs was evaluated (in vitro) against the isolated fungi, Gram-negative and Gram-positive bacteria using disc diffusion method and results revealed that CAgNPs with 170ppm concentration are having significant antimicrobial effects against an array of microbes tested.

Preparation of SrGd2(MoO4)4:Er3+/Yb3+ Phosphors by the Microwave-Modified Sol-Gel Method and Their Upconversion Photoluminescence Properties

  • Lim, Chang Sung
    • Journal of the Korean Ceramic Society
    • /
    • v.51 no.6
    • /
    • pp.605-611
    • /
    • 2014
  • $SrGd_{2-x}(MoO_4)_4:Er^{3+}/Yb^3$ phosphors with doping concentrations of $Er^{3+}$+ and $Yb^{3+}$ ($x=Er^{3+}+Yb^{3+}$, $Er^{3+}=0.05$, 0.1, 0.2, and $Yb^{3+}=0.2$, 0.45) were successfully synthesized by the cyclic microwave-modified sol-gel method, and their upconversion mechanism and spectroscopic properties have been investigated in detail. Well-crystallized particles showed a fine and homogeneous morphology with grain sizes of $2-5{\mu}m$. Under excitation at 980 nm, $SrGd_{1.7}(MoO_4)_4:Er_{0.1}Yb_{0.2}$ and $SrGd_{1.5}(MoO_4)_4:Er_{0.05}Yb_{0.45}$ particles exhibited a strong 525-nm emission band, a weak 550-nm emission band in the green region, and a very weak 655-nm emission band in the red region. The Raman spectra of the doped particles indicated the domination of strong peaks at higher frequencies of 1023, 1092, and $1325cm^{-1}$ and at lower frequencies of 223, 2932, 365, 428, 538, and $594cm^{-1}$ induced by the incorporation of the $Er^{3+}$+ and $Yb^{3+}$+ elements into the $Gd^{3+}$ site in the crystal lattice, which resulted in the unit cell shrinkage accompanying a new phase formation of the $[MoO_4]^{2-}$ groups.

Relationship between Electrical Characteristics and Oxygen Vacancy in Accordance with Annealing Temperature of TiO2 Thin Film (TiO2 박막의 온도에 따른 산소공공의 분포와 전기적인 특성사이의 상관성)

  • Oh, Teresa
    • Journal of the Korea Institute of Information and Communication Engineering
    • /
    • v.22 no.4
    • /
    • pp.664-669
    • /
    • 2018
  • To observe the relationship between the oxygen vacancy and electrical characteristics of $TiO_2$ due to the $CO_2$ gases, the $TiO_2$ were deposited by the mixing gases of $Ar:O_2=20$ sccm:20 sccm and annealed with various temperatures. The bonding structure was changed with the annealing temperature from amorphous to crystal structure, and the oxygen vacancy was also changed with these bonding structures. The $CO_2$ gas reaction of $TiO_2$ films showed the variation in accordance with the bonding structure. The capacitance increased at the amorphous structure $TiO_2$, and the current also increased. However the oxygen vacancy decreased at this amorphous structure $TiO_2$. Because of the formation of oxygen vacancies is in inverse proportion to the amorphous structure. Moreover, the diffusion current in the depletion layer such as the amorphous structure showed the difference in accordance with the $CO_2$ gas flow rates.

Modification of Efficient Vitrification Method by Using Open Pulled Straw (OPS) and EM Grid as Vehicles in Human Embryonic Stem Cell (인간 배아 줄기세포의 OPS와 Grid를 이용한 유리화 동결법의 효율성 비교)

  • 박규형;최성준;김희선;오선경;문신용;차광렬;정형민
    • Journal of Embryo Transfer
    • /
    • v.18 no.3
    • /
    • pp.179-186
    • /
    • 2003
  • Human embryonic stem (hES) cell lines have been derived from human blastocysts and are expected to have far-reaching applications in regenerative medicine. The objective of this study is to improve freezing method with less cryo-injuries and best survival rates in hES cells by comparing various vitrification conditions. For the vitrifications, ES cells are exposed to the 4 different cryoprotectants, ethylene glycol (EG), 1,2-propanediol (PROH), EG with dime-thylsulfoxide (DMSO) and EG with PROH. We compared to types of vehicles, such as open pulled straw (OPS) or electron microscopic cooper grids (EM grids). Thawed hES cells were dipped into sequentially holding media with 0.2 M sucrose for 1 min, 0.1 M sucrose for 5 min and holding media for 5 min twice and plated onto a fresh feeder layer. Survival rates of vitrified hES cells were assessed by counting of undifferentiated colonies. It shows high survival rates of hES cells frozen with EG and DMSO (60.8%), or EG and PROH(65.8%) on EM grids better than those of OPS, compared to those frozen with EG alone (2.4%) or PROH alone (0%) alone. The hES cells vitrified with EM grid showed relatively constant colony forming efficiency and survival rates, compared to those of unverified hES cells. The vitrified hES cells retained the normal morphology, alkaline phosphates activity, and the expression of SSEA-3 and 4. Through RT-PCR analysis showed Oct-4 gene expression was down-regulated and embryonic germ layer markers were up-regulated in the vitrified hES cells during spontaneous differentiation. These results show that vitrification method by using EM grid supplemented with EG and PROH in hES cells may be most efficient at present to minimize cyto-toxicity and cellular damage derived by ice crystal formation and furthermore may be employed for clinical application.

Studies on Manufacturing Possibility of Paper Sludge-Cement Boards (II) - Physical and Mechanical Properties and SEM Observation - (제지(製紙) 슬러지-시멘트보드이 제조가능성(製造可能성)에 관(關)한 연구(硏究)(II) - 물리(物理)·기계적(機械的) 성질(性質) 및 SEM 측정(測定) -)

  • Kim, Sa-Ick;Oh, Jung-Soo
    • Journal of the Korean Wood Science and Technology
    • /
    • v.22 no.2
    • /
    • pp.37-45
    • /
    • 1994
  • The possibility of reusing the paper sludge as a raw material of composition board mixed with cement was investigated. For the measurement of physical and mechanical properties, wood coment board and sludge combinend cement boards were fabricated with the three weigh ratios of paper sludge 10 % (SI), 20 % (S II) and 30 % (S III) to cement weight. For adding the cement hardning, $CaCl_2$ was also added to each mixed paste with the ratio of 1 %, 3 % and 5 % to cement weight, respectively. Crystal formation in paper sludge-, wood-cement composites was observed by scanning electron microscope. The results were summarized as follows. 1. Density and partial compressive strength of each specimens were relatively high in the order of sludge I, sludge II, Korean pine, Italian poplar and sludge III, sludge I, Korean pine, sludge II, Italian poplar and sludge III. 2. The mechanical properties of sludge-cement boards (S I and II) were higher than that of wood-cement boards prepared with Korean pine and Italian poplar. But the mechanical properties of wood-cement boards were improved by the adding of $CaCl_2$. 3. Water absorption and thickness swelling were increased with increase of sludge content to cement weight. 4. In SEM observation, sludge-cement composites showed sufficiently formed crystals but wood-cement composites showed poorly formed crystals.

  • PDF