62,549 research outputs found
Antiatherosclerotic effect of the new Ca++ antagonist sim 6080: "In vitro" and "In vivo studies
No full textAB-PAS staining in each group after 3,6,12 weeks.
No full text(A-C) AB-PAS staining in the sharm group after 3,6,12 weeks (×100). (D-F) AB-PAS staining in the injury group after 3,6,12 weeks (×100). (G-I) AB-PAS staining in the therapeutic groupafter 3,6,12 weeks (×100). Black arrows:cartilage cells.</p
Structural and electronic properties of hybrid perovskites for high-efficiency thin-film photovoltaics from first-principles
No full textThe performance of perovskite solar cells recently exceeded 15% solar-to-electricity conversion efficiency for small-area devices. The fundamental properties of the active absorber layers, hybrid organic-inorganic perovskites formed from mixing metal and organic halides [e. g., (NH4)PbI3 and (CH3NH3)PbI3], are largely unknown. The materials are semiconductors with direct band gaps at the boundary of the first Brillouin zone. The calculated dielectric constants and band gaps show an orientation dependence, with a low barrier for rotation of the organic cations. Due to the electric dipole of the methylammonium cation, a photoferroic effect may be accessible, which could enhance carrier collection. (C) 2013 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License
When should unconstitutionality mean void ab initio?
No full textThis article considers the effect of a court determination that a law is unconstitutional. It looks at how activities that have been regulated pursuant to the unconstitutional law should be dealt with. It considers whether the legislation should be void ab initio (from the beginning) or only de futuro (in the future - prospective over-ruling). \ud
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DFT-based ab-initio study of half-Heusler KCaP compound
No full textAn ab-initio study of structural, elastic, electronic and optical properties of KCaP compound with space group F (4) over bar 3m have been reported using the plane-wave pseudo-potential technique based on density functional theory under pressure effect. The elastic anisotropy of compound is investigated in terms of Poisson's ratio, shear modulus and Young's modulus with pressure effect. The electronic band structure calculations and charge densities are obtained. Optical properties are also investigated and refraction index, extinction coefficient, reflectivity and loss function of KCaP compound are determined
Adsorption of IgG onto hydrophobic teflon. Differences between the F(ab) and F(c) domains
No full textThe effect of differences in the degree of hydrophobicity of protein patches/fragments on the adsorption behaviour of the protein is investigated. The adsorption isotherm of a monoclonal mouse anti-human immunoglobulin G (isotype 2b) onto hydrophobic Teflon particles is measured using a depletion method. The adsorption-induced denaturation of the immunoglobulin as a function of the adsorbed amount is studied by differential scanning calorimetry, and the corresponding rearrangements in the secondary structure of the whole IgG molecule and its F-ab and F-c fragments are determined by circular dichroism spectroscopy. The effects of adsorption on the F-ab and F-c fragments in the intact IgG molecule occur independently. Adsorption of the whole IgG molecule leads to denaturation of the F-ab fragments, whereas the F-c fragment remains unperturbed; adsorption of the isolated fragments results in structural changes in both F-ab and F-c. The surface hydrophobicity of the isolated fragments was studied by HPLC. These experiments support the hypothesis that differences in the degree of denaturation between F-ab and F-c are due to the higher degree of hydrophobicity of the F-ab fragment. The adsorption-induced changes in the secondary structure are more prominent for the isolated fragments as compared to intact IgG. This is ascribed to the higher flexibility of the isolated fragment, as compared to the fragment in the whole molecule. (C) 2001 Elsevier Science B.V. All rights reserved.</p
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High-accuracy ab initio thermochemistry : application to hydrocarbons
No full texttextThis work focuses on an examination of the high-accuracy extrapoloated ab initio thermochemistry (HEAT) protocol of determining molecular atomization energies. The HEAT protocol does not utilize experimental data or empirical scaling effects. The accuracy of the approach is tested via comparison to ATcT data, and all molecules fall within 1 kcal/mol of accepted values. There are several important points to note about this treatment: namely, that we have used atomic natural orbital (ANO) basis sets for the calculation of the zero point energy and that we have made determinations for larger molecules than previously done with HEAT. The molecules in this paper were chosen to provide benchmark numbers for the homodesmotic reaction heirarchy as described by Wheeler et al.[3] The relative accuracy of the approach is considered, as well as a discussion of possible remaining sources of error.Chemistr
Ab initio simulations of iron-nickel alloys at Earth's core conditions
No full textWe report ab initio density functional theory calculations on iron–nickel (FeNi) alloys at conditions representative of the Earth's inner core. We test different concentrations of Ni, up to ∼39 wt% using ab initio lattice dynamics, and investigate the thermodynamic and vibrational stability of the three candidate crystal structures (bcc, hcp and fcc). First of all, at inner core pressures, we find that pure Fe transforms from the hcp to the fcc phase at around 6000 K. Secondly, in agreement with low pressure experiments on Fe–Ni alloys, we find the fcc structure is stabilised by the incorporation of Ni under core pressures and temperatures. Our results show that the fcc structure may, therefore, be stable under core conditions depending on the temperature in the inner core and the Ni content. Lastly, we find that within the quasi-harmonic approximation, there is no stability field for FeNi alloys in the bcc structure under core conditions
Fragmentation of Nimotuzumab for Preparation of 125I-F(ab’)2-Nimotuzumab as a Precursor for Preparing 125I-F(ab’)2-Nimotuzumab-NLS Radiopharmaceutical for Cancer Therapy
No full textNimotuzumab is an anticancer agent which belongs to the inhibitor group of Epidermal Growth Factor Receptor (EGFR). This monoclonal antibody has a relatively high molecular weight which makes slow penetration on tumor cell, as concequence, it is less attractive in imaging kinetics, and potentially elicits antibodies respons. Therefore in this study nimotuzumab was fragmented to form bivalent antibody [F(ab’)2] and then labeled with 125I to form 125I-F(ab’)2-nimotuzumab which can be used further as a precursor for preparing 125I-F(ab’)2-nimotuzumab-NLS (NLS = nuclear localizing sequences ) radiopharmaceutical for radioimmunotherapy. The aims of this study were to obtain characteristics of 125I-F(ab’)2-nimotuzumab by comparing with the 125I labeled-intact nimotuzumab (125I-nimotuzumab). This study was initiated by purifying nimotuzumab by mean of dialysis. The purified nimotuzumab was then fragmented by using pepsin. The F(ab')2-nimotuzumab formed was then purified from its by-products which formed in fragmentation process by using a PD-10 column (consisted Sephadex G25). The intact nimotuzumab and its F(ab’)2 fragment were then labeled with the 125I to form 125I-nimotuzumab and 125I-F(ab’)2-nimotuzumab. The radiochemical purity are 98.27 % and 93.24 % ,respectively. Stability test results show that, both of 125I-nimotuzumab and 125I-F(ab’)2-nimotuzumab more stable at 4 °C than at room temperature storage and 37 °
PEGylation Prolongs the Half-Life of Equine Anti-SARS-CoV-2 Specific F(ab’)2
No full textTherapeutic antibodies-F(ab’)2 obtained from hyperimmune equine plasma could treat emerging infectious diseases rapidly because of their high neutralization activity and high output. However, the small-sized F(ab’)2 is rapidly eliminated by blood circulation. This study explored PEGylation strategies to maximize the half-life of equine anti-SARS-CoV-2 specific F(ab’)2. Equine anti-SARS-CoV-2 specific F(ab’)2 were combined with 10 KDa MAL-PEG-MAL in optimum conditions. Specifically, there were two strategies: Fab-PEG and Fab-PEG-Fab, F(ab’)2 bind to a PEG or two PEG, respectively. A single ion exchange chromatography step accomplished the purification of the products. Finally, the affinity and neutralizing activity was evaluated by ELISA and pseudovirus neutralization assay, and ELISA detected the pharmacokinetic parameters. The results displayed that equine anti-SARS-CoV-2 specific F(ab’)2 has high specificity. Furthermore, PEGylation F(ab’)2-Fab-PEG-Fab had a longer half-life than specific F(ab’)2. The serum half-life of Fab-PEG-Fab, Fab-PEG, and specific F(ab’)2 were 71.41 h, 26.73 h, and 38.32 h, respectively. The half-life of Fab-PEG-Fab was approximately two times as long as the specific F(ab’)2. Thus far, PEGylated F(ab’)2 has been prepared with high safety, high specificity, and a longer half-life, which could be used as a potential treatment for COVID-19
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