• Title/Summary/Keyword: Binding free energy

Search Result 115, Processing Time 0.031 seconds

Optical Properties for $CuGaTe_2/GaAs$ Epilayers Grown by Hot Wall Epilaxy (Hot Wall Epitaxy (HWE) 방법으로 성장된 $CuGaTe_2/GaAs$ 에피레이어의 광학적 특성)

  • Hong, Kwang-Joon;Park, Chang-Sun
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
    • /
    • 2004.11a
    • /
    • pp.167-170
    • /
    • 2004
  • The stochiometric mix of evaporating materials for the $CuGaT_2$ single crystal thin films was prepared from horizontal furnance. Using extrapolation method of X-ray diffraction patterns for the $CuGaTe_2$ polycrystal, it was found tetragonal structure whose lattice constant $a_0$ and $c_0$ were 6.025 ${\AA}$ and 11.931 ${\AA}$, respectively. To obtain the single crystal thin films, $CuGaTe_2$ mixed crystal was deposited on throughly etched semi-insulator GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were $670^{\circ}C$ and $410^{\circ}C$ respectively, and the thickness of the single crystal thin films is $2.1{\mu}m$. The crystalline structure of single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). From the photocurrent spectrum by illumination of perpendicular light on the c - axis of the $CuGaTe_2$ single crystal thin film, we have found that the values of spin orbit coupling ${\Delta}s.o$ and the crystal field splitting ${\Delta}cr$ were $0.079\underline{1}eV$ and $0.246\underline{3}eV$ at 10 K, respectively. From the PL spectra at 10K, the peaks corresponding to free bound excitons and D-A pair and a broad emission band due to SA is identified. The binding energy of the free excitons are determined to be $0.047\underline{0}eV$ and the dissipation energy of the donor-bound exciton and acceptor-bound exciton to be $0.049\underline{0}eV$, $0.055\underline{8}eV$, respectively.

  • PDF

Study of characteristics of $AgGaS_2$/GaAs epilayer by hot wall epitaxy (HWE 방법에 의한 $AgGaS_2$/GaAs epilayer 성장과 특성)

  • Hong, K.J.;Jeong, J.W.;Bang, J.J.;Jin, Y.M.;Kim, S.H.;Yoe, H.S.;Yang, H.J.
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
    • /
    • 2002.08a
    • /
    • pp.84-91
    • /
    • 2002
  • The stochiometric composition of $AgGaS_2$/GaAs polycrystal source materials for the $AgGaS_2$/GaAs epilayer was prepared from horizontal furnace. From the extrapolation method of X-ray diffraction patterns it was found that the polycrystal $AgGaS_2$/GaAs has tetragonal structure of which lattice constant an and Co were 5.756 $\AA$ and 10.305 $\AA$, respectively. $AgGaS_2$/GaAs epilayer was deposited on throughly etched GaAs(100) substrate from mixed crystal $AgGaS_2$/GaAs by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were $590^{\circ}C$ and $440^{\circ}C$ respectively. The crystallinity of the grown $AgGaS_2$/GaAs epilayer was investigated by the DCRC (double crystal X-ray diffraction rocking curve). The optical energy gaps were found to be 2.61 eV for $AgGaS_2$/GaAs epilayer at room temperature. The temperature dependence of the photocurrent peak energy is well explained by the Varshni equation, then the constants in the Varshni equation are given by $\alpha=8.695{\times}10^{-4}$ eV/K, and $\beta=332K$. From the photocurrent spectra by illumination of polarized light of the $AgGaS_2$/GaAs epilayer, we have found that crystal field splitting ${\Delta}Cr$ was 0.28 eV at 20 K. From the PL spectra at 20 K, the peaks corresponding to free and bound excitons and a broad emission band due to D-A pairs are identified. The binding energy of the free excitons are determined to be 0.2676 eV and 0.2430 eV and the dissociation energy of the bound excitons to be 0.4695 eV.

  • PDF

Multilevel Precision-Based Rational Design of Chemical Inhibitors Targeting the Hydrophobic Cleft of Toxoplasma gondii Apical Membrane Antigen 1 (AMA1)

  • Vetrivel, Umashankar;Muralikumar, Shalini;Mahalakshmi, B;K, Lily Therese;HN, Madhavan;Alameen, Mohamed;Thirumudi, Indhuja
    • Genomics & Informatics
    • /
    • v.14 no.2
    • /
    • pp.53-61
    • /
    • 2016
  • Toxoplasma gondii is an intracellular Apicomplexan parasite and a causative agent of toxoplasmosis in human. It causes encephalitis, uveitis, chorioretinitis, and congenital infection. T. gondii invades the host cell by forming a moving junction (MJ) complex. This complex formation is initiated by intermolecular interactions between the two secretory parasitic proteins-namely, apical membrane antigen 1 (AMA1) and rhoptry neck protein 2 (RON2) and is critically essential for the host invasion process. By this study, we propose two potential leads, NSC95522 and NSC179676 that can efficiently target the AMA1 hydrophobic cleft, which is a hotspot for targeting MJ complex formation. The proposed leads are the result of an exhaustive conformational search-based virtual screen with multilevel precision scoring of the docking affinities. These two compounds surpassed all the precision levels of docking and also the stringent post docking and cumulative molecular dynamics evaluations. Moreover, the backbone flexibility of hotspot residues in the hydrophobic cleft, which has been previously reported to be essential for accommodative binding of RON2 to AMA1, was also highly perturbed by these compounds. Furthermore, binding free energy calculations of these two compounds also revealed a significant affinity to AMA1. Machine learning approaches also predicted these two compounds to possess more relevant activities. Hence, these two leads, NSC95522 and NSC179676, may prove to be potential inhibitors targeting AMA1-RON2 complex formation towards combating toxoplasmosis.

Growth and Optoelectric Characterization of $ZnGa_{2}Se_{4}$ Sing1e Crystal Thin Films (Hot Wall Epitaxy (HWE)에 의한$ZnGa_{2}Se_{4}$단결정 박막 성장과 광전기적 특성)

  • 박창선;홍광준
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
    • /
    • 2001.11a
    • /
    • pp.163-166
    • /
    • 2001
  • The stochiometric mix of evaporating materials for the ZnGa$_2$Se$_4$ single crystal thin films was prepared from horizontal furnace. To obtain the single crystal thin films, ZnGa$_2$Se$_4$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were 61$0^{\circ}C$ and 45$0^{\circ}C$, respectively. The crystalline structure of single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of ZnGa$_2$Se$_4$ single crystal thin films measured from Hall effect by van der Pauw method are 9.63x10$^{17}$ cm$^{-3}$ , 296 $\textrm{cm}^2$/V.s at 293 K, respectively, From the photocurrent spectrum by illumination of perpendicular light on the c-axis of the ZnGa$_2$Se$_4$ single crystal thin film, we have found that the values of spin orbit splitting $\Delta$So and the crystal field splitting $\Delta$Cr were 251.9 MeV and 183.2 meV at 10 K, respectively. From the photoluminescence measurement on ZnGa$_2$Se$_4$ single crystal thin film, we observed free excition (E$_{x}$) existing only high quality crystal and neutral bound excition (A$^{0}$ ,X) having very strong peak intensity. Then, the full-width-at-half-maximum(FWHM) and binding energy of neutral acceptor bound excition were 11 meV and 24.4 meV, respectivity. By Haynes rule, an activation energy of impurity was 122 meV.on energy of impurity was 122 meV.

  • PDF

Growth and Photocurrent Properties of $CuGaSe_2$ Single Crystal ($CuGaSe_2$ 단결정 박막 성장과 광전류 특성)

  • K.J. Hong
    • Proceedings of the Materials Research Society of Korea Conference
    • /
    • 2003.03a
    • /
    • pp.81-81
    • /
    • 2003
  • The stochiometric mixture of evaporating materials for the CuGaSe$_2$ single crystal thin films were prepared from horizontal furnace. Using extrapolation method of X-ray diffraction patterns for the polycrystal CuGaSe$_2$, it was found tetragonal structure whose lattice constant no and co were 5.615$\AA$ and 11.025$\AA$, respectively. To obtains the single crystal thin films, CuGaSe$_2$ mixed crystal was deposited on throughly etched GaAs(100) by the Hot Wall Epitaxy(HWE) system. The source and substrate temperature were 61$0^{\circ}C$ and 45$0^{\circ}C$ respectively, and the growth rate of the single crystal thin films was about 0.5${\mu}{\textrm}{m}$/h. The crystalline structure of single crystal thin films was investigated by the double crystal X-ray diffraction(DCXD). Hall effect on this sample was measured by the method of van der pauw and studied on carrier density and mobility depending on temperature. From Hall data, the mobility was likely to be decreased by pizoelectric scattering in the temperature range 30K to 150K and by polar optical scattering in the temperature range 150K to 293K. The optical energy gaps were found to be 1.68eV for CuGaSe$_2$ single crystal thin films at room temperature. The temperature dependence of the photocurrent peak energy is well explained by the Varshni equation then the constants in the Varshni equation are given by a=9.615$\times$ 10$^{-4}$ eV/K, and $\beta$=335K. From the photocurrent spectra by illumination of polarized light of the CuGaSe$_2$ single crystal thin films. We have found that values of spin orbit coupling ΔSo and crystal field splitting ΔCr was 0.0900eV and 0.2498eV, respectively. From the PL spectra at 20K, the peaks corresponding to free bound excitons and D-A pair and a broad emission band due to SA is identified. The binding energy of the free excitons are determined to be 0.0626eV and the dissipation energy of the acceptor-bound exciton and donor-bound exciton to be 0.0352eV, 0.0932eV, respectively.

  • PDF

Effects of Jerusalem Artichoke Powder and Sodium Carbonate as Phosphate Replacers on the Quality Characteristics of Emulsified Chicken Meatballs

  • Ozturk, Burcu;Serdaroglu, Meltem
    • Food Science of Animal Resources
    • /
    • v.38 no.1
    • /
    • pp.26-42
    • /
    • 2018
  • Today incorporation of natural ingredients as inorganic phosphate replacers has come into prominence as a novel research topic due to health concerns about phosphates. In this study, we aimed to investigate the quality of emulsified chicken meatballs produced with Jerusalem artichoke powder (JAP), either alone or in combination with sodium carbonate (SC) as sodium tripolyphosphate (STPP) replacers. The results showed that naturally dried JAP showed favorable technological properties in terms of water-oil binding and gelling. Emulsion batters formulated with JAP-SC mixture showed lower jelly and fat separation, higher water-holding capacity and higher emulsion stability than control samples with STPP. In final product, incorporation of JAP-SC mixture increased moisture and reduced lipid and energy values, and kept the pH value similar to control. Added JAP lead to increments in $b^*$ values whereas decreases $L^*$ values. Cook yield was similar to control in phosphate-free samples formulated with JAP-SC mix. Either low or medium ratios of JAP in combination with SC managed to protect most of the sensory parameters, while sensory scores tend to decrease in samples containing high levels of JAP. Addition of JAP to formulations presented samples that have equivalent behavior to phosphates in terms of lipid oxidation. In conclusion, our study confirms that utilization of JAP in combination with SC had promising effects as phosphate replacers by presenting natural solutions and providing equivalent quality to standard phosphate containing products.

Nucleotide Sequence Analysis of an Endo-Xylanase Gene (xynA) from Bacillus stearothermophilus

  • Cho, Ssang-Goo;Choi, Yong-Jin
    • Journal of Microbiology and Biotechnology
    • /
    • v.5 no.3
    • /
    • pp.117-124
    • /
    • 1995
  • A gene (xynA) encoding the endo-xylanase (E.C.3.2.1.8) from Bacillus stearothermophilus was cloned in E. coli, and its complete nucleotide sequence was determined. The xynA gene consists of a 636 base pairs open reading frame coding for a protein of 212 amino acids with a deduced molecular weight of 23, 283 Da. A putative signal sequence of 27 amino acid residues shows the features comparable with the Bacillus signal sequences; namely, the signal contains a positively charged region close to the N-terminus followed by a long hydrophobic string. The coding sequence is preceded by a possible ribosome binding site with a free energy value of -16.6 kcal/mol and the transcription initiation signals are located further upstream. The translation termination codon (TAA) at the 3 end of the coding sequence is followed by two palindrome sequences, one of which is thought to act as a terminator. The xynA gene has a high GC content, especially in the wobble position of codons (64%). Comparison of the primary protein sequence with those of other xylanases shows a high homology to the xylanases belonging to family G.

  • PDF

Effect of Precursor Ratio on the Properties of Inorganic-Organic Hybrid TiO2-SiO2 Coating (유무기 TiO2-SiO2 혼성코팅에 미치는 전구체 배합비율의 영향)

  • Kim, Dong Kyu;Maeng, Wan Young
    • Korean Journal of Materials Research
    • /
    • v.26 no.5
    • /
    • pp.271-280
    • /
    • 2016
  • When a single inorganic precursor is used for the synthesis of a sol-gel coating, there is a problem of cracking on the surface of coating layer. In order to solve this problem of surface cracking, we synthesized inorganic-organic coatings that have hybrid properties of inorganic and organic materials. Sols of various ratios (1:0.07, 0.2, 0.41, 0.82, 1.64, 3.26, 6.54, 13.2) of an inorganic precursor of Tetrabutylorthotitanate ($Ti(OBu)_4$, TBOT) and an organic precursor of ${\gamma}$-Methacryloxy propyltrimethoxysilane (MAPTS) were prepared and coated on stainless steels (SUS316L) by dip coating method. The binding structure and the physical properties of the synthesized coatings were analyzed by FT-IR, FE-SEM, FIB (Focused Ion Beam), and a nano-indenter. Dynamic polarization testing and EIS (electrical impedance spectroscopy) were carried out to evaluate the micro-defects and the corrosion properties of the coatings. The prepared coatings show hybrid properties of inorganic oxides and organic materials. Crack free coatings were prepared when the MAPTS ratio was above a critical value. As the MAPTS ratio increased, the thickness and the corrosion resistance increased, and the hardness decreased.

Nucleotide Sequence and Analysis of a Xylanase gene (xynS) from Alkali-tolerant Bacillus sp. YA-14 and Comparison with Other Xylanases

  • Yu, Ju-Hyun;Park, Young-Seo;Yum, Do-Young;Kim, Jin-Man;Kong, In-Soo
    • Journal of Microbiology and Biotechnology
    • /
    • v.3 no.3
    • /
    • pp.139-145
    • /
    • 1993
  • The nucleotide sequence of the xylanase gene (xynS) from alkali-tolerant Bacillus sp. YA.14 was determined and analyzed. A 639 base pairs open reading frame for xynS gene was observed and encoded for a protein of 213 amino acids with a molecular weight of 23, 339. S1 nuclease mapping showed that the transcription initiation site of the xynS gene did not exist in the cloned DNA. Ribosome binding site sequence with the free energy of -18.8 Kcal/mol was observed 8 base pairs upstream from the initiation codon, ATG. The proposed signal sequence consisted of 28 amino acids, of which 3 were basic amino acid residues and 21 were hydrophobic amino acid residues. When the amino acid sequences of xylanases were compared, Bacillus sp. YA-14 xylanase showed 48% homology with Bacillus sp. YC-335 xylanase and 96% homology with xylanases from B. subtilis and B. circulans.

  • PDF

Sequence Analysis and Expression of Xylanase Gene (xynY) from Alkalophilic Bacillus sp. YC-335

  • Park, Young-Seo;Yum, Do-Young;Kim, Jin-Man;Bai, Dong-Hoon
    • Journal of Microbiology and Biotechnology
    • /
    • v.3 no.4
    • /
    • pp.224-231
    • /
    • 1993
  • The nucleotide sequence of the xylanase gene (xynY) from alkalophilic Bacillus sp. YC-335 was determined and analyzed. An open reading frame of 1, 062 base pairs for xynY gene was observed and encoded for a protein of 354 amino acids with a molecular weight of 38, 915. S1 nuclease mapping showed that the transcription initiation sites of the xynY gene were different in Bacillus sp. YC-335 and Escherichia coli HB101 (pYS55). S1 mapping also showed that -10 region of the xynY gene recognized by RNA polymerases of E. coli and Bacillus sp. YC-335 were TACAGT and TATGAT , respectively. A ribosome binding site sequence with the free energy of -17.0 Kcal/mol was observed 9 base pairs upstream from the unusual initiation codon, TTG. The proposed signal sequence consisted of 27 amino acids, 2 of which were basic amino acid residues and 21 were hydrophobic amino acid residues. When the amino acid sequences of xylanases were compared, Bacillus sp. YC-335 xylanase showed more than 50% homology with xylanases from B. pumilus, B. subtilis, and B. circulans.

  • PDF