Substrate Profiling of Anion Methyltransferases for Promiscuous Synthesis of S-Adenosylmethionine Analogs from Haloalkanes

Biocatalytic alkylation reactions can be performed with high chemo-, regio- and stereoselectivity using S-adenosyl-l -methionine (SAM)-dependent methyltransferases (MTs) and SAM analogs. Currently, however, this methodology is limited in application due to the rather laborious protocols to access SAM analogs. It has recently been shown that halide methyltransferases (HMTs) enable synthesis and recycling of SAM analogs with readily available haloalkanes as starting material. Here we expand this work by using substrate profiling of the anion MT enzyme family to explore promiscuous SAM analog synthesis. Our study shows that anion MTs are in general very promiscuous with respect to the alkyl chain as well as the halide leaving group. Substrate profiling further suggests that promiscuous anion MTs cluster in sequence space. Next to iodoalkanes, cheaper, less toxic, and more available bromoalkanes have been converted and several haloalkanes bearing short alkyl groups, alkyl rings, and functional groups such as alkene, alkyne and aromatic moieties are accepted as substrates. Further, we applied the SAM analogs as electrophiles in enzyme-catalyzed regioselective pyrazole allylation with 3-bromopropene as starting material.     

Work Standardization at High-Tech Enterprises in the Digital Era

Russian Engineering Research - Work standardization at Russian high-tech enterprises is considered, in the digital era. The new possibilities created by the digital economy permit increased...     

Description of the thermodynamic properties and fluid-phase behavior of aqueous solutions of linear,branched, and cyclic amines

The SAFT-γ Mie group-contribution equation of state is used to represent the fluid-phase behavior of aqueous solutions of a variety of linear, branched, and cyclic amines. New group interactions are developed in order to model the mixtures of interest, including the like and unlike interactions between alkyl primary, secondary, and tertiary amine groups (NH₂, NH, N), cyclic secondary and tertiary amine groups (cNH, cN), and cyclic methine-amine groups (cCHNH, cCHN) with water (H₂O). The group-interaction parameters are estimated from appropriate experimental thermodynamic data for pure amines and selected mixtures. By taking advantage of the group-contribution nature of the method, one can describe the fluid-phase behavior of mixtures of molecules comprising those groups over broad ranges of temperature, pressure, and composition. A number of aqueous solutions of amines are studied including linear, branched aliphatic, and cyclic amines. Liquid–liquid equilibria (LLE) bounded by lower critical solution temperatures (LCSTs) have been reported experimentally and are reproduced here with the SAFT-γ Mie approach. The main feature of the approach is the ability not only to represent accurately the experimental data employed in the parameter estimation, but also to predict the vapor–liquid, liquid–liquid, and vapor–liquid–liquid equilibria, and LCSTs with the same set of parameters. Pure compound and binary phase diagrams of diverse types of amines and their aqueous solutions are assessed in order to demonstrate the main features of the thermodynamic and fluid-phase behavior.     

A novel ceramic matrix composite based on YNbO4–TiO2 for microwave applications

This work presents the dielectric properties of YNbO₄ (YNO)–TiO₂ composites in the microwave range. X-ray diffraction analysis demonstrates that the addition of TiO₂ to YNO results in the formation of a Y(Nb_0.5Ti_0.5)₂O₆ phase. In the microwave range, the values of permittivity and dielectric loss did not present major changes with the increment of TiO₂. Moreover, the addition of TiO₂ results in an improvement in the thermal stability of YNO, with YNO63 demonstrating a resonant frequency of ?8.96 ppm.°C^?1. We utilised numerical simulations to evaluate the behaviour of these materials as dielectric resonator antennae and it is found that they exhibit a reflection coefficient below ?10 dB at the resonant frequency, with a realised gain of 4.94 – 5.76 dBi, a bandwidth of 665–1050 MHz and a radiation efficiency above 84%. Our results indicate that YNO–TiO₂ composites are interesting candidates for microwave operating devices.     

Effect of Exogenous Auxin Treatment on Cell Wall Polymers of Strawberry Fruit

The role of auxin in the fruit-ripening process during the early developmental stages of commercial strawberry fruits (Fragaria x ananassa) has been previously described, with auxin production occurring in achenes and moving to the receptacle. Additionally, fruit softening is a consequence of the depolymerization and solubilization of cell wall components produced by the action of a group of proteins and enzymes. The aim of this study was to compare the effect of exogenous auxin treatment on the physiological properties of the cell wall-associated polysaccharide contents of strawberry fruits. We combined thermogravimetric (TG) analysis with analyses of the mRNA abundance, enzymatic activity, and physiological characteristics related to the cell wall. The samples did not show a change in fruit firmness at 48 h post-treatment; by contrast, we showed changes in the cell wall stability based on TG and differential thermogravimetric (DTG) analysis curves. Less degradation of the cell wall polymers was observed after auxin treatment at 48 h post-treatment. The results of our study indicate that auxin treatment delays the cell wall disassembly process in strawberries.     

Commercialization of Intellectual Property at High-Tech Enterprises

Russian Engineering Research - The commercialization of intellectual property at high-tech enterprises is discussed. The participants in commercialization are identified. A three-component matrix...     

Key factors that influence the UX of a dual-player game for the cognitive stimulation and motor rehabilitation of older adults

Universal Access in the Information Society - In this work, the results of usability and user experience (UX) evaluation of a serious video game for the cognitive stimulation and motor...     

Does the Pi strip method allow assessment of the available soil P?: Comparison against the reference isotope method

Experiments have been carried out in acid soils developed under tropical climates with and without phosphate rock (PR) addition to assess the ability of the Pi strip method to extract available soil P compared with the Isotopic Exchange Kinetics method (IEK). In the Pi strip method strips of filter paper, previously impregnated with iron hydroxide acting as a sink for phosphate ions from soil components, are added to an aqueous soil suspension. The extracted phosphate ions are eluted in diluted sulfuric acid and quantified by a colorimetric method. Available soil P, defined as the amount of phosphate ions that can move from the soil particles to soil solution, is described by three factors: an intensity factor, a quantity factor and a capacity factor. These three factors were determined by the IEK-method. Following the addition of carrier-free ³²PO₄-ions to soil, the ability of the Pi strip to extract available soil P was assessed: (i) by comparing the quantity of instantaneously exchangeable P (E₁) to the quantity extracted with the Pi strip; (ii) by determining the fraction of ³²P extracted with the Pi strip, and (iii) by comparing the specific activity (SA) of P present as phosphate ions extracted by the Pi strip to the specific activity of P in the soil solution. It was observed that (i) E₁ and the amount extracted with the Pi strip are highly correlated, (ii) the recovery of ³²P extracted by the Pi strip varies between 17 and 66%, and (iii) the specific activity of P extracted by the Pi strip is of the same order of magnitude as that of P in the soil solution. In acid soils low in available P, part of the P in aqueous KCl-extracts is presumably not only present as free phosphate ions but also occluded in the form of a soluble complex, whose isotopic exchangeability is significantly lower than that of phosphate ions transferred to the Pi strip. It is concluded from the results that the Pi strip method can be recommended in routine analysis for the determination of the quantity factor. However, this method cannot provide intensity or capacity factors and therefore needs to be complemented by the IEK-method for full characterization of the available soil P status.     

CFD Simulations of Pool Fires in a Confined and Ventilated Enclosure Using the Peatross–Beyler Correlation to Calculate the Mass Loss Rate

The aim of this paper is to analyse the application of the Peatross–Beyler (P&B) correlation (Fire and safety science—Proceedings of the fifth international symposium, 1997) to calculate the Mass loss rate (MLR) for a pool fire in a confined and ventilated enclosure for a range of conditions.The experimental references considered are the PRISME-SI-D1, D2 and D6 tests (Prétrel et al. in 9th International seminar on fire safety in nuclear power plants and installations, 2005), conducted by the Institut de Radioprotection et de Sûreté Nucléaire.The dimensions of the enclosure used in the experiment are 5 m in length, 6 m in width and 4 m in height. A pool fire, \(0.4\,\hbox {m}^2\) hydrogenated tetrapropylene (TPH, \(\hbox {C}_{12}\hbox {H}_{26}\)), is located in the center of the room. The compartment is connected to the outside through an inlet and outlet. The P&B correlation is implemented as a boundary condition in computational fluid dynamics calculations. The MLR outcome depends on the average \(\hbox {O}_2\) concentration in a predefined volume and the characteristics of the fuel. The influence of the size and location of the predefined volume, the ventilation branch position (at 1 m and 3.65 m from the floor) and the Renewal Rate (\(R_r\)) (\(4.7\,\hbox {h}^{-1}\) and \(8.4\,\hbox {h}^{-1}\)) are studied. Two types of \(\hbox {O}_2\) predefined volumes have been tested: layer and ring. The layer volume is located in the low part of the compartment, the base of the volume spanning the compartment floor. The ring is a volume around the pit. It is assumed for both approaches that the measured \(\hbox {O}_2\) is representative of the available oxygen for the flame. The P&B boundary condition predicts the influence of the vitiation on the MLR. Other methods, such as imposing the MLR expected in open condition, overpredict the amount of injected fuel. The results show that the P&B correlation provides good agreement with the experimental data. The deviation between experimental data and numerical prediction for the average MLR in the best case is ?5.0% with absolute values of 0.004 kg/s and 0.0038 kg/s for the experiment and the simulation respectively for case PRS-SI-D1. The MLR calculation is influenced by the position of the ventilation opening and the \(R_r\). The temperature and \(\hbox {O}_2\) concentration profiles are significantly influenced by the ventilation configuration. These differences are related to the transport of the injected air from the inlet to the floor by density difference.