The higher-order Landau-Devonshire theory for BaTiO 3 is proposed. The structural stabilities of some Landau potentials proposed for the phenomenology of BaTiO 3 until now are discussed in the framework of the singularity theory. We confirm that the structurally stable Landau potential has to contain at least all the invariants up to eighth power when the three parameters vary in the experiment. We propose the tenth order Landau potential for adequate description of the various experimental data for BaTiO 3 crystal. We show that the results of the phenomenology based on the tenth potential are in good agreement with experimental data on the spontaneous polarization, dielectric constants, dielectric susceptibility and piezoelectric coefficients versus the temperature and the electric field. PACS numbers: 64.60.A, 64.60.Ej, 64.70.K, 77.84.Bw ,222 3 1 2 3 J p p p  . The invariant polynomials 1 J , 2 J and 3 J then become the basis functions in the orbit space J J J

In this study, substitution effects of group 4 elements in Fe2TiSn thermoelectric material are studied by using density functional theory (DFT) and semi-classical Boltzmann transport theory. All of the substitution elements showed the most thermodynamic preference for the Sn site, and these substitutions for Fe2TiSn did not give much influence in the stability and mechanical property of Fe2TiSn. e2TiSn[Formula: see text]Pb[Formula: see text], and thermoelectric calculations showed the prominence of [Formula: see text]-type on [Formula: see text]-type dopingin these materials. The highest Seebeck coefficients of these compounds were −148, −228, −165 and −120 [Formula: see text]V/K for [Formula: see text]-type of Fe2TiSn, Fe2TiSn[Formula: see text]Si[Formula: see text], Fe2TiSn[Formula: see text]Ge[Formula: see text] and Fe2TiSn[Formula: see text]Pb[Formula: see text], respectively. The results showed that Si and Ge partial substitutions for Fe2TiSn could be the effective methods to enhance the thermoelectric property, and the maximum dimensionless figure of merit (ZT) at room temperature reached about 0.7 ([Formula: see text]cm[Formula: see text] [Formula: see text]-type doping concentration) in Fe2TiSn[Formula: see text]Si[Formula: see text] and 0.6 ([Formula: see text]cm[Formula: see text] [Formula: see text]-type doping concentration) in Fe2TiSn[Formula: see text]Ge[Formula: see text].

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Background: The focus of this study was the selection of a single chain variable fragment antibody (scFv) against subtilisin BRC, a fibrinolytic enzyme using phage display, and to characterize the interaction between the antibody and subtilisin BRC. Methods: The subtilisin BRC-specific phage clones were selected using Griffin.1 scFv phage library and sequenced. The gene of subtilisin BRC-specific scFv (scFv-BRC) from selected phage clone was expressed in E. coli and scFv-BRC was characterized. Molecular modeling of the three-dimensional (3D) structures of scFv-BRC was performed using MODELLER 9.19 modeling software and assessed by PROCHEK. Molecular docking of subtilisin BRC with scFv-BRC was carried out using PATCHDOCK. Results: The size of scFv-BRC gene is 635bp and it consists of 54bp of heavy chain region (VH), 336bp of light chain region (VL), 45bp of a linker. scFv-BRC was actively expressed by E. coli expression vector pET28a-scFv in E. coli BL21 (DE3), and the amount of expressed scFv-BRC was about 50 mg/L. Its molecular weight is ~26kDa. The CDR domain of scFv-BRC consists of 6 amino acids in CDR L1, 3 amino acids in CDR L2 and 9 amino acids in CDR L3. Docking results of subtilisin BRC and scFv-BRC showed global energy of - 56.29 kJ/mol. Furthermore, the results showed that amino acid residues in subtilisin BRC for binding with scFv-BRC are Tyr6, Ser182, Ser204, and Gln206. Conclusion: scFv against subtilisin BRC selected using phage display showed relatively strong binding energy with subtilisin BRC. The amino acid residues in subtilisin BRC for binding with scFv-BRC are not relevant to that in subtilisin BRC for binding with its substrates. These results suggested that scFv-BRC can be used as a ligand for detection and affinity purification of subtilisin BRC.