Amines can interact with protic acids with different degrees of proton transfer, which can lead to the formation of both hydrogen-bonded complexes and protic ionic liquids (PILs) in which the ...hydrogen bond between the cation and anion contributes to the formation of ion pairs. This work is devoted to studying the degree of proton transfer from different acids (hydrochloric, nitric, phosphoric, acetic, propionic, benzoic, and salicylic) to triethylamine (TEA). The results of quantum-chemical calculations based on the density functional theory (DFT) and thermal (phase transition and destruction temperatures) and physicochemical (conductivity, viscosity) characteristics of the compounds show that TEA interaction with acetic and propionic acids leads to the formation of hydrogen-bonded complexes. The B3LYP-GD3 method also shows that the interaction between TEA and benzoic acid is more energetically favorable for the formation of a molecular complex, whereas the obtained experimental data are more characteristic of a protic ionic liquid. For the other acids studied, the calculation and experimental data confirm salt formation. The geometric and energy parameters of the H-bond have been calculated both in the molecular complexes and in the ion pairs. The QTAIM theory was used to localize critical points of the hydrogen bonds and to calculate their properties.
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Laser radiation makes it possible to form a composite material with laser radiation, which is intended for use as cellular- and tissue-engineering structures. It is important to obtain a uniform ...distribution of components throughout the volume of such material. Intermolecular interactions between chitosan and single-walled carbon nanotubes (SWCNTs) affect the structure of the composite. The results of IR spectroscopy and nonlinear optical studies have shown that the effect of laser radiation has different effects on the two types of chitosan, which was clearly demonstrated by SEM studies. Upon detailed examination, agglomerates in the composite material are clearly visible. Chitosan succinate less prevents the formation of agglomerates from SWCNTs, as a result of which a high agglomeration of nanotubes occurs among themselves in the composite material. The corresponding formations are distinguishable in the SEM images.
As a result of society’s increasing digitisation, the police have ever more opportunities to collect, investigate and combine huge amounts of personal data using advanced technology. Examples are ...provided from recent cases where police have gained access to millions of encrypted messages from various servers, including Ennetcom, EncroChat and Sky Global. However, the current legal framework is, as yet, ill-equipped to deal with this new reality. Partly for this reason, legislators are facing new questions about how the (further) processing of data in detection should be regulated by law. Commissioned by the WODC, this study examines the legal safeguards in criminal justice data collection in relation to the legal safeguards governing the processing of these data. The Code of Criminal Procedure mainly focuses on the collection of data and to a much lesser extent on its further use, but this may involve a (fresh) invasion of citizens’ privacy. The Police Data Act contains some provisions to data processing, but the relationship with the Dutch Code of Criminal Procedure is not entirely clear. This study identifies the requirements and safeguards under European law for the processing of data for criminal justice purposes. Further inspiration is drawn from experience with the Intelligence and Security Services Act 2017 in which powers of collection and (further) processing are regulated in a single law. Finally, it explores how, in several countries (Germany, Belgium and Norway), the requirements arising from European law have been translated into legal regulations and how these regulations are designed. This study provides tools that legislators can use to reconsider the methods of standardisation and legal regulation design to better protect citizens' privacy. The recommendations thus focus on strengthening the legal framework on data processing and its supervision by creating an explicit legal framework in the Code of Criminal Procedure and establishing an independent supervisor focused on the processing of personal data by investigative authorities.
The amount of acid retained in the SiO
2
–TiO
2
*organic acid composites obtained by the sol-gel method depends on the structure of the acid and its concentration, but largely on the oxide ratio. At ...an acid concentration in the composite of less than 25%, its molecules undergo chemisorption accompanied by a change in the principal absorption bands in the IR spectra; as the acid concentration increases, physical sorption becomes prevalent. With acid-imprinted composites, an increase in the
ee
values in the asymmetric Biginelli reaction is observed, and the best results were obtained for aromatic acid-imprinted composites with an oxide ratio of 1 : 1.
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EMUNI, FIS, FZAB, GEOZS, GIS, IJS, IMTLJ, KILJ, KISLJ, MFDPS, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, SBMB, UKNU, UL, UM, UPUK, VKSCE, ZAGLJ
The presence of a gene encoding small heat shock protein IbpA in Acholeplasma laidlawii (AlIbpA) appears to be one of the key factors determining the high adaptive capabilities of this mycoplasma. ...Previously, we showed a participation of the N-and C-terminal regions of AlIbpA in functions of chaperone in vitro. The aim of this work was to establish the involvement of the N - and C-terminal motifs of the recombinant AlIbpA in the survival of Escherichia coli cells under temperature stress in vivo. To determine this, we used genetically engineered versions of the AlIbpA with truncations and mutations in the N - and C-terminal domains. Viability was determined by counting CFU and differential fluorescent staining. Studies have shown that hyperproduction of the N-termini-modified IbpA from AlIbpA is able to exhibit thermotolerance E. coli cells. This research was funded by the Russian Science Foundation (project No. 17-74-20065), the microscopy assays were funded by RFBR (project № 20-34-90066).
With the growing interest in deep learning algorithms and computational design in the architectural field, the need for large, accessible and diverse architectural datasets increases. Due to the ...complexity of such 3D datasets, the most widespread techniques of 3D scanning and manual building modeling are very time-consuming, which does not allow to have a sufficiently large open-source dataset. We decided to tackle this problem by constructing a field-specific synthetic data generation pipeline that generates an arbitrary amount of 3D data along with the associated 2D and 3D annotations. The variety of annotations, the flexibility to customize the generated building and dataset parameters make this framework suitable for multiple deep learning tasks, including geometric deep learning that requires direct 3D supervision. Creating our building data generation pipeline we leveraged the experts’ architectural knowledge in order to construct a framework that would be modular, extendable and would provide a sufficient amount of class-balanced data samples. Moreover, we purposefully involve the researcher in the dataset customization allowing the introduction of additional building components, material textures, building classes, number and type of annotations as well as the number of views per 3D model sample. In this way, the framework would satisfy different research requirements and would be adaptable to a large variety of tasks. All code and data is made publicly available: https://cdinstitute.github.io/Building-Dataset-Generator/.
Individual and mixed oxides of Zn, Mg, Si, and Ti modified with L-proline during their solgel synthesis have been obtained. The IR spectra of these oxides studied in detail show changes in the ...vibrational band parameters of the siliconoxygen and metal–oxygen bonds. Enhancement of the amount of basic sites on the SiO
2
–TiO
2
mixed oxide was found after removal of L-proline from the surface. The use of SiO
2
–Mg(OH)
2
*
L-proline composite as a catalyst leads to an enhanced enantiomeric excess of some asymmetric Biginelli reaction products up to 18%.
Recently, there has been increasing evidence that many infections are associated with the formation of multispecies biofilms, in which there is a change in the sensitivity of bacteria to antibiotics ...and a change in the permeability of the extracellular matrix compared to monocultures. In this work, we show that the addition of cell-free culture liquid (CFCL) of
Staphylococcus aureus
to
Klebsiella pneumoniae
and
Pseudomonas aeruginosa
biofilms increases the content of α-, and β-polysaccharides in the matrix up to 2 times, which likely affects the structure of the biofilm. The increase in the polysaccharide component is also confirmed by a significant rise in the expression level of the
K. pneumoniae
pgaA
and
P. aeruginosa
pelA
,
pslA
genes in the presence of
S. aureus
culture liquid.
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