A database of calculated solution parameters for the recently released AlphaFold predicted protein structures

Recent spectacular advances by AI programs in 3D structure predictions from protein sequences have revolutionized the field in terms of accuracy and speed. The resulting "folding frenzy" has already produced predicted protein structure databases for the entire human and other organisms' proteomes. However, rapidly ascertaining a predicted structure's reliability based on measured properties in solution should be considered. Shape-sensitive hydrodynamic parameters such as the diffusion and sedimentation coefficients (D0t(20,w),s0(20,w)) and the intrinsic viscosity ([η]) can provide a rapid assessment of the overall structure likeliness, and SAXS would yield the structure-related pair-wise distance distribution function p(r) vs. r. Using the extensively validated UltraScan SOlution MOdeler (US-SOMO) suite we have calculated from the AlphaFold structures the corresponding D0t(20,w), s0(20,w), [η], p(r) vs. r, and other parameters. Circular dichroism spectra were also computed. The resulting US-SOMO-AF database should aid in rapidly evaluating the consistency in solution of AlphaFold predicted protein structures.

Evaluation of polyvinylpyrrolidone as draw solute for desalination forward osmosis systems

In this study, polyvinylpyrrolidone (PVP) was evaluated as a potential draw solute for desalination forward osmosis (FO) systems. The effect of various draw solute and draw solution parameters on the efficiency of FO operation was investigated, including PVP molecular weight, PVP concentration in solution, and the salinity of feed solution. Experiment results showed that at draw solution initial concentration of 200 g/L and feed solution initial salinity up to 15 g/L, the PVP-based draw solution can offer water flux up to 14.23 LMH in FO mode with raw material cost only at 0.61 USD/m3. PVP K17 was proven to be an effective draw solute for FO systems, providing good water flux and low reverse draw solute flux; while also being relatively non-toxic, non-corrosive, cheap and widely available compared to other types of novel draw solutes.

Numerical Study of Soil-Thawing Effect of Composite Piles Using GMsFEM

During construction works, it is advisable to prevent strong thawing and an increase in the moisture content of the foundations of engineering structures in the summer. Since the density of water and ice differ, due to the difference bulging of the foundation sections can occur when it freezes back in winter. In this work, the effect of fiber-reinforced piles on the thermal field of the surrounding soil is investigated numerically; that is, the study of the influence of aggregates with high and low thermal-physical properties on the temperature of frozen soils is conducted. Basalt and steel fiber reinforcement are compared. The difficulty of this work is that the inclusions inside piles are too small compared to the pile itself. Therefore, to solve the Stefan problem, a generalized multiscale finite element method (GMsFEM) was used. In the GMsFEM, the usual conforming partition of the domain into a coarse grid was used. It allowed reducing problem size and, consequently, accelerating the calculations. Results of the multiscale solution were compared with fine-scale solution, the accuracy of GMsFEM was investigated, and the optimal solution parameters were defined. Therefore, GMsFEM was shown to be well suited for the designated task. Collation of basalt and steel fiber reinforcement showed a beneficial effect of high thermal conductive material inclusion on freezing of piles in winter.

A consistent model for estimating the partitioning of Am, Pu and Se in agricultural soils

The component additive model UNiSeCs II for simulating the physicochemical behaviour of the radionuclides americium, plutonium and selenium in agricultural soils is presented. The model is validated by estimating the distribution coefficients (Kd) of these elements measured in batch experiments from the literature. For all three elements, the resulting average relative deviations from the experimental values are smaller than a factor of 2.5. This indicates that the model has the potential to significantly improve the predictions of radioecological models that normally use tabulated Kd values from the IAEA which are known to have large uncertainties. Using UNiSeCs II, the soil solution parameters most important for the partitioning of Am, Pu and Se are identified by single parameter variations.

A specialized picker with lower pick-up height for recovering pruning residues in orchards

Most farmers use mulch machine to directly shred the branch pruning residues in orchards, which may cause the spread of diseases and pests to healthy branches. It is a good solution to use a machine to recover pruning residues and then transport them to a safe area for secondary utilization. However, effective collection of these residues still faces many technical challenges. In particular, the pruning residues in young orchards have the characteristics of many branches without secondary branches and close to the ground, it is difficult to collect. In this article, a specialized picker with lower pick-up height is proposed, which is more suitable for collecting pruning residues in young orchards. Firstly, an experiment platform for collecting branches is built. It is found that the pick-up height has a larger effect on the success rate than other factors. Secondly, an optimization platform with a user interface is also developed in Matlab, and the mono-factor analysis method is used to optimize the variable parameters of the mathematical model of spring-finger picker. Then, a set of non-inferior solution parameters is obtained. Finally, a picker on the square herbage baler is selected as an experimental prototype, and a core component Cam track is redesigned and fabricated according to the optimization results. Additionally, comparative tests are conducted between the original picker and the improved picker. The results show the latter is more than 30% higher than the former, even achieves 93.8% of success rate. This article can provide a theoretical basis for designing the branches pick-up device and the design method can also be widely used in other mechanisms of agricultural machines.

Preparation and characterization of electrospun cellulose acetate sub-micro fibrous membranes

Electrospun sub-microfiber membrane of cellulose acetate (CA), with excellent biodegradability, high specific surface area and high porosity, has attracted wide attention in various research fields. Even so, the stable continuous electrospinning of CA sub-micro fibers is affected by the solution parameters and CA acetylation degree dramatically, which still remains challenging. In the present work, electrospun CA sub-micro fibrous membranes have been prepared from four distinct solvent systems, respectively, to explore the proper solution parameters for membrane fabrication. After hydrolysis and electrospinning, the produced CA sub-micro fibrous membranes were analyzed in terms of fiber size distribution, hydrophilicity and porosity. Current analysis has shown that the degree of substitution of CA sub-micro fibers decreases with the increase in hydrolysis time, resulting in increased diameter irregularity, decreased average porosity and increased hydrophilicity of the sub-micro fibrous membrane.

PERFORMANCE OF DRY HYDROPONIC SYSTEM ON CULTIVATION OF GREEN LETTUCE (Lactuca sativa L.)

Dry hydroponic is an emerging system and gaining popularity among some hydroponic businesses, yet investigation on its performance has not been reported. Purpose of this research is to evaluate and compare performance of dry hydroponic system to floating and wick systems on green leafy lettuce cultivation. The experiment used Completely Randomized Design (CRD) with factorial arrangement. Two factors, hydroponic systems and aerator usages, were implemented. The hydroponic systems included Dry, Wick and Floating systems, while the use of aerator were with and without aerators. All treatment combinations consisted of 3 replicates. Parameters to be observed were nutrient solution parameters (pH, temperature, dissolved oxygen, water consumption), plant parameters (height, stem diameter, leaf width, number of leaves, leaf thickness, and canopy area, shoot fresh weight, water content, some chemical contents). Data sets were analyzed using analysis of variance followed by a least significant Difference (LSD) test at level of 5%. Results showed that the interaction between the hydroponic system and the use of aerators were not significantly different for all parameters observed. The hydroponic systems were not significantly different too. The use of aerator was significant for the nutrient solution parameters (pH and Dissolved Oxygen), water content, and phosphorus contents of leaves. In conclusion, Dry Hydroponic System has the same performances as compared to floating and wick systems.