Search results for "structure analysi"
showing 10 items of 66 documents
Fasciola spp: Mapping of the MF6 epitope and antigenic analysis of the MF6p/HDM family of heme-binding proteins
2017
MF6p/FhHDM-1 is a small cationic heme-binding protein which is recognized by the monoclonal antibody (mAb) MF6, and abundantly present in parenchymal cells and secreted antigens of Fasciola hepatica. Orthologs of this protein (MF6p/HDMs) also exist in other causal agents of important foodborne trematodiasis, such as Clonorchis sinensis, Opisthorchis viverrini and Paragonimus westermani. Considering that MF6p/FhHDM-1 is relevant for heme homeostasis in Fasciola and was reported to have immunomodulatory properties, this protein is expected to be a useful target for vaccination. Thus, in this study we mapped the epitope recognized by mAb MF6 and evaluated its antigenicity in sheep. The sequenc…
Combined Use of Structure Analysis, Studies of Molecular Association in Solution, and Molecular Modelling to Understand the Different Propensities of…
2021
The arrangement of hydroxyl groups in the benzene ring has a significant effect on the propensity of dihydroxybenzoic acids (diOHBAs) to form different solid phases when crystallized from solution. All six diOHBAs were categorized into distinctive groups according to the solid phases obtained when crystallized from selected solvents. A combined study using crystal structure and molecule electrostatic potential surface analysis, as well as an exploration of molecular association in solution using spectroscopic methods and molecular dynamics simulations were used to determine the possible mechanism of how the location of the phenolic hydroxyl groups affect the diversity of solid phases formed…
5-Carbonyl-1,3-oxazine-2,4-diones from N-Cyanosulfoximines and Meldrum’s Acid Derivatives
2020
At elevated temperatures, N-cyanosulfoximines react with Meldrum's acid derivatives to give sulfoximines with N-bound 5-carbonyl-1,3-oxazine-2,4-dione groups. A representative product was characterized by single-crystal X-ray structure analysis. The product formation involves an unexpected molecular reorientation requiring several sequential bond-forming and -cleaving processes.
Selective derivatisation of resorcarenes. Part 5. Acylation of tetrabenzoxazine derivatives
2000
The reaction of the tetrabenzoxazines 2 with acetic anhydride under mild conditions leads selectively and exclusively to the tetraamides 3 in which the oxazine rings are opened; their structure was deduced from their 1H NMR spectra and confirmed for one example by an X-ray single crystal structure analysis; acylation of the hydroxy groups was not observed.
Synthesis and structural characterization of titanium complexes containing a sulfinyl-bridged bis(phenolato) ligand
1998
Abstract Titanium complexes containing the novel tridentate 2,2′-sulfinylbis(6-tert-butyl-4-methylphenoxo) ligand (sibmp) were synthesized and characterized. Treatment of titanium tetra-iso-propoxide with 2,2′-sulfinylbis(6-tert-4-methylphenol) (sibmpH2) in 1:1 molar ratio afforded red-orange, sparingly soluble di-iso-propoxo derivative [Ti(sibmp)(O-i-Pr)2]2·0.5 Et2O. The single-crystal structure analysis was performed and revealed a dimeric centrosymmetric structure with a planar Ti2O2 core. The titanium center is approximately octahedral with a SO function intramolecularly coordinated at the titanium center. Treatment of sibmpH2 with titanium tetra-iso-propoxide in 2:1 molar ratio gave y…
The Protein Structure Context of PolyQ Regions.
2016
Proteins containing glutamine repeats (polyQ) are known to be structurally unstable. Abnormal expansion of polyQ in some proteins exceeding a certain threshold leads to neurodegenerative disease, a symptom of which are protein aggregates. This has led to extensive research of the structure of polyQ stretches. However, the accumulation of contradictory results suggests that protein context might be of importance. Here we aimed to evaluate the structural context of polyQ regions in proteins by analysing the secondary structure of polyQ proteins and their homologs. The results revealed that the secondary structure in polyQ vicinity is predominantly random coil or helix. Importantly, the region…
Crystal structure of (R)-6-fluoro-2-[(S)-oxiran-2-yl]chroman
2015
The title compound, C11H11FO2, is a building block in the synthesis of the active pharmaceutical ingredient DL-nebivolol. The synthesis starting from the enantiomerically pure (R)-6-fluoro-4-oxo-3,4-dihydro-2H-chromene-2-carboxylic acid resulted in a mixture of two stereoisomers, namely (R)-6-fluoro-2-[(S)-oxiran-2-yl]chroman and (R)-6-fluoro-2-[(R)-oxiran-2-yl]chroman. The mixture was separated by column chromatography but only one stereoisomer crystallized. The X-ray structure analysis revealed that the solid consisted of theR,Sisomer. A similar procedure was repeated for (S)-6-fluoro-4-oxo-3,4-dihydro-2H-chromene-2-carboxylic acid and, in this case, theS,Risomer was produced as a crystal…
Mediadores psicológicos y motivación deportiva en judocas españoles. Psychological mediators and sport motivation in Spanish judokas.
2006
El presente trabajo analizo las diferencias de la motivacion en situacion precompetitiva de judocas en funcion de los mediadores psicologicos (percepciones de competencia, apoyo a la autonomia y relaciones sociales), tal y como postula el Modelo Jerarquico de la Motivacion Intrinseca, Extrinseca y Amotivacion (Vallerand, 1997, 2001; Vallerand y Losier, 1999). Se empleo una muestra de 181 judocas de edades comprendidas entre los 14 y 16 anos. Utilizamos una metodologia selectiva, con diseno prospectivo simple. Los datos se analizaron mediante un MANOVA, tomando como variables independientes los mediadores psicologicos y el sexo de los deportistas y como variables dependientes cada una de las…
Preparation and Characterization of Composites Materials with Rubber Matrix and with Polyvinyl Chloride Addition (PVC)
2020
An important problem that arises at present refers to the increase in performances in the exploitation of the conveyor belts. Additionally, it is pursued to use some materials, which can be obtained by recycling rubber and PVC waste, in their structure. Thus, the research aimed at creating conveyor belts using materials obtained from the recycling of rubber and PVC waste. Under these conditions, conveyor belts were made that had in their structure two types of rubber and PVC, which was obtained by adding in certain proportions of reclaimed rubber and powder obtained from grinding rubber waste. In order to study the effect of adding PVC on properties, four types of conveyor belts were made, …
Topical Depth and Writing Quality in Student EFL Compositions
1992
ABSTRACT This study tests a method to describe the relationship between coherence and writing quality by using topical structure analysis. Originally the method was used to examine short professional texts written in the mother tongue (L1) but in the present study it is applied to short compositions written in English by students learning this foreign language (EFL). The analyses showed that what characterized good writers was the ability to develop the topics in their compositions more evenly across several topic levels than mid‐quality writers and especially the poor writers. Good writers were more homogeneous (measured by the size of standard deviation) as a group in handling topics at h…