A new method, MUNIN (Multi-dimensional NMR spectra interpretation), is introduced for the automated interpretation of three-dimensional NMR spectra. It is based on a mathematical concept referred to ...as three-way decomposition. An NMR spectrum is decomposed into a sum of components, with each component corresponding to one or a group of peaks. Each component is defined as the direct product of three one-dimensional shapes. A consequence is reduction in dimensionality of the spectral data used in further analysis. The decomposition may be applied to frequency-domain or time-domain data, or to a mixture of these. Features of MUNIN include good resolution in crowded regions and the absence of assumptions about line shapes. Uniform sampling of time-domain data, a prerequisite for discrete Fourier transform, is not required. This opens an avenue for the processing of NMR data that do not follow oscillating behaviour, e.g. from relaxation measurements. The application of MUNIN is illustrated for a 1H-15N-NOESY-HSQC, where each component is defined as the set of all NOE peaks formed by a given amide group. As a result, the extraction of structural information simply consists of one-dimensional peak picking of the shape along the NOE-axis obtained for each amide group.
In this work, we analyze the efficiency of the modification of the implant surface. This modification was reached by the formation of a two-level relief hierarchy by means of a sol-gel approach that ...included dip coating with subsequent shock drying. Using this method, we fabricated a nanoporous layer with micron-sized defects on the nanotitanium surface. The present work continues an earlier study by our group, wherein the effect of osteoblast-like cell adhesion acceleration was found. In the present paper, we give the results of more detailed evaluation of coating efficiency. Specifically, cytological analysis was performed that included the study of the marker levels of osteoblast-like cell differentiation. We found a significant increase in the activity of alkaline phosphatase at the initial incubation stage. This is very important for implantation, since such an effect assists the decrease in the induction time of implant engraftment. Moreover, osteopontin expression remains high for long expositions. This indicates a prolonged osteogenic effect in the coating. The results suggest the acceleration of the pre-implant area mineralization and, correspondingly, the potential use of the developed coatings for bone implantation.
The polymerase chain reaction (PCR) method is a cyclic process based on the repeated copying of a certain fragment of DNA using enzymes in vitro. The main molecular mechanism of PCR is amplification, ...that is, the accumulation of copies of the selected nucleotide sequence. A real-time polymerase chain reaction, which is one of the varieties of the PCR method, allows determining not only the presence of the target nucleotide sequence in the sample, but also measuring the number of its copies. The efficiency of a real-time polymerase chain reaction is characterized by the exponential section of the fluorescence accumulation curve (PCR kinetic curve). This curve consists of a baseline, an exponential phase and a plateau phase. Of both theoretical and practical interest is the analytical determination of the moments of the transition of the PCR kinetic curve from linear to exponential growth, and then reaching a plateau. Unsupervised machine learning methods can be used to solve this problem. If we consider amplification as a quasi-deterministic discrete random process, for which the fluorescence accumulation curves are monotonically increasing trajectories, then the moments of the transition from the baseline to the exponential phase and from the exponential phase to the plateau phase are trajectory anomalies. Their detection is possible with the help of quadratic forms of approximation-estimation tests.
Modern methods for studying the stress-strain state of solids use graphical methods based on a stress-strain curve to determine the transition from elastic deformation to plastic deformation. ...However, this approach is not formal and it is intended only for when stress is a function of strain in the one-dimensional case. Cases, when strain is a function of the stress, are also of practical importance. The purpose of the study is to develop formal rules for determining the limits of applicability of Hooke’s law. The proposed analytical methods for determining the transition from elastic deformation to plastic deformation are based on consistent statistical sequential. In this article, quadratic forms are derived for calculating the point at which the type of an increasing monotonous numerical sequence changes from linear to non-linear type. With the help of these quadratic forms, statistical criteria (approximation-estimation tests) are constructed to determine the limits of applicability for Hooke’s law. These boundaries are defined as Markov moments. The novelty of the results shows that it is possible to determine the yield point without visualizing the experimental data. The numerical example of the application of a parabolic approximationestimation test is provided. From the results of this experiment, it can be concluded that the analytical determination of the limits of applicability of Hooke’s law coincides with a visual assessment. Approximation-estimation tests provide an opportunity to determine the limits of applicability of Hooke’s law analytically.
Results are presented for numerical investigations of the interaction between a single cast-in-place pile and a bed composed of loose sand. The limiting vertical load on the pile and its settlements ...are compared as a function of the method used to account for soil contraction.
Amphiphilic copolymer molecular brushes of three different types with side chains consisting of alkyl and oligo(ethylene glycol) blocks based on higher alkoxy oligo(ethylene glycol) methacrylates ...(HAOEGM), methoxy oligo(ethylene glycol) methacrylates (MOEGM) and dodecyl(meth)acrylate have been successfully synthesized via conventional radical polymerization in toluene. In case of the copolymerization of HAOEGM with MOEGM, the monomer reactivity ratios were independent of the structure of higher alkyl groups (C
12
–C
18
) and the degree of ethoxylation (
n
= 6–11) and were equal to 0.76–0.81 and 1.19–1.27, respectively. In case of the copolymerization of HAOEGM or MOEGM with dodecyl methacrylate, the reactivity ratios were even closer to each other (1.00–1.17). Applicability of the reactivity ratios calculated at low conversions for estimating copolymer compositions at high conversions was shown. In all systems, compositionally homogeneous copolymers with a narrow molecular weight distribution were formed. For the HAOEGM (C
12
,
n
= 9)—dodecyl acrylate monomer system, the reactivity ratios were 0.88 and 0.25 and the resulting copolymers had high compositional heterogeneity.
We propose a method of search for cold dark matter, which presumably consists of hidden photons, by detecting single electrons emitted from the surface of the metal cathode of a counter as a result ...of the conversion of hidden photons. To detect single electrons, a special multi-cathode counter has been designed. The counter allows one to discriminate the background by subtracting from the effect the dark count rate measured in a configuration with a blocking potential that prevents the drift of the cathode-emitted electrons to the central counter. The measurement results are presented and significant progress in the development of the methodology is demonstrated. Further steps to improve the method are discussed.
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