Structural Insights Into the Terpene Cyclization Domains of Two Fungal Sesterterpene Synthases and Enzymatic Engineering for Sesterterpene Diversification.

Little is known about the structures and catalytic mechanisms of sesterterpene synthases (StTSs), which greatly hinders the structure-based engineering of StTSs for structural diversity expansion of sesterterpenes. We here report on the crystal structures of the terpene cyclization (TC) domains of two fungal StTSs: sesterfisherol synthase (NfSS) and sesterbrasiliatriene synthase (PbSS). Both TC structures contain benzyltriethylammonium chloride (BTAC), pyrophosphate (PPi), and magnesium ions (Mg2+), clearly defining the catalytic active sites. A combination of theory and experiments including carbocationic intermediates modeling, site-directed mutagenesis, and isotope labeling provided detailed insights into the structural basis for their catalytic mechanisms. Structure-based engineering of NfSS and PbSS resulted in the formation of 20 sesterterpenes including 13 new compounds and four pairs of epimers with different configurations at C18. These results expand the structural diversity of sesterterpenes and provide important insights for future synthetic biology research.

Complex-Valued Convolutional Gated Recurrent Neural Network for Ultrasound Beamforming.

Ultrasound detection is a potent tool for the clinical diagnosis of various diseases due to its real-time, convenient, and noninvasive qualities. Yet, existing ultrasound beamforming and related methods face a big challenge to improve both the quality and speed of imaging for the required clinical applications. The most notable characteristic of ultrasound signal data is its spatial and temporal features. Because most signals are complex-valued, directly processing them by using real-valued networks leads to phase distortion and inaccurate output. In this study, for the first time, we propose a complex-valued convolutional gated recurrent (CCGR) neural network to handle ultrasound analytic signals with the aforementioned properties. The complex-valued network operations proposed in this study improve the beamforming accuracy of complex-valued ultrasound signals over traditional real-valued methods. Further, the proposed deep integration of convolution and recurrent neural networks makes a great contribution to extracting rich and informative ultrasound signal features. Our experimental results reveal its outstanding imaging quality over existing state-of-the-art methods. More significantly, its ultrafast processing speed of only 0.07 s per image promises considerable clinical application potential. The code is available at https://github.com/zhangzm0128/CCGR.

Maximum Lyapunov exponent-based multiple chaotic slime mold algorithm for real-world optimization.

Slime mold algorithm (SMA) is a nature-inspired algorithm that simulates the biological optimization mechanisms and has achieved great results in various complex stochastic optimization problems. Owing to the simulated biological search principle of slime mold, SMA has a unique advantage in global optimization problem. However, it still suffers from issues of missing the optimal solution or collapsing to local optimum when facing complicated problems. To conquer these drawbacks, we consider adding a novel multi-chaotic local operator to the bio-shock feedback mechanism of SMA to compensate for the lack of exploration of the local solution space with the help of the perturbation nature of the chaotic operator. Based on this, we propose an improved algorithm, namely MCSMA, by investigating how to improve the probabilistic selection of chaotic operators based on the maximum Lyapunov exponent (MLE), an inherent property of chaotic maps. We implement the comparison between MCSMA with other state-of-the-art methods on IEEE Congress on Evolution Computation (CEC) i.e., CEC2017 benchmark test suits and CEC2011 practical problems to demonstrate its potency and perform dendritic neuron model training to test the robustness of MCSMA on classification problems. Finally, the parameters' sensitivities of MCSMA, the utilization of the solution space, and the effectiveness of the MLE are adequately discussed.

Fully Complex-Valued Gated Recurrent Neural Network for Ultrasound Imaging.

Ultrasound imaging is widely used in medical diagnosis. It has the advantages of being performed in real time, cost-efficient, noninvasive, and nonionizing. The traditional delay-and-sum (DAS) beamformer has low resolution and contrast. Several adaptive beamformers (ABFs) have been proposed to improve them. Although they improve image quality, they incur high computation cost because of the dependence on data at the expense of real-time performance. Deep-learning methods have been successful in many areas. They train an ultrasound imaging model that can be used to quickly handle ultrasound signals and construct images. Real-valued radio-frequency signals are typically used to train a model, whereas complex-valued ultrasound signals with complex weights enable the fine-tuning of time delay for enhancing image quality. This work, for the first time, proposes a fully complex-valued gated recurrent neural network to train an ultrasound imaging model for improving ultrasound image quality. The model considers the time attributes of ultrasound signals and uses complete complex-number calculation. The model parameter and architecture are analyzed to select the best setup. The effectiveness of complex batch normalization is evaluated in training the model. The effect of analytic signals and complex weights is analyzed, and the results verify that analytic signals with complex weights enhance the model performance to reconstruct high-quality ultrasound images. The proposed model is finally compared with seven state-of-the-art methods. Experimental results reveal its great performance.

Pareto Dominance Archive and Coordinated Selection Strategy-Based Many-Objective Optimizer for Protein Structure Prediction.

Protein structure prediction (PSP) is predicting the three-dimensional of protein from its amino acid sequence only based on the information hidden in the protein sequence. One of the efficient tools to describe this information is protein energy functions. Despite the advancements in biology and computer science, PSP is still a challenging problem due to its large protein conformation space and inaccurate energy functions. In this study, PSP is treated as a many-objective optimization problem and four conflicting energy functions are used as different objectives to be optimized. A novel Pareto-dominance-archive and Coordinated-selection-strategy-based Many-objective-optimizer (PCM) is proposed to perform the conformation search. In it, convergence and diversity-based selection metrics are used to enable PCM to find near-native proteins with well-distributed energy values, while a Pareto-dominance-based archive is proposed to save more potential conformations that can guide the search to more promising conformation areas. The experimental results on thirty-four benchmark proteins demonstrate the significant superiority of PCM in comparison with other single, multiple, and many-objective evolutionary algorithms. Additionally, the inherent characteristics of iterative search of PCM can also give more insights into the dynamic progress of protein folding besides the final predicted static tertiary structure. All these confirm that PCM is a fast, easy-to-use, and fruitful solution generation method for PSP.

Progress on the Fabrication of Superconducting Wires and Tapes via Hot Isostatic Pressing.

Fabrication of high-performance superconducting wires and tapes is essential for large-scale applications of superconducting materials. The powder-in-tube (PIT) method involves a series of cold processes and heat treatments and has been widely used for fabricating BSCCO, MgB2, and iron-based superconducting wires. The densification of the superconducting core is limited by traditional heat treatment under atmospheric pressure. The low density of the superconducting core and a large number of pores and cracks are the main factors limiting the current-carrying performance of PIT wires. Therefore, to improve the transport critical current density of the wires, it is essential to densify the superconducting core and eliminate pores and cracks to enhance grain connectivity. Hot isostatic pressing (HIP) sintering was employed to improve the mass density of superconducting wires and tapes. In this paper, we review the development and application of the HIP process in the manufacturing of BSCCO, MgB2, and iron-based superconducting wires and tapes. The development of HIP parameters and the performance of different wires and tapes are reviewed. Finally, we discuss the advantages and prospects of the HIP process for the fabrication of superconducting wires and tapes.

Water-cooled microwave ablation array for bloodless rapid transection of the liver.

BACKGROUND: Microwaves (MWs) deliver relatively high temperatures into biological tissue and cover a large ablation zone. This study aims to evaluate the efficacy and effectiveness of water-cooled double-needle MW ablation arrays in assisting the hepatic transection of an in vivo pig model. METHODS: Our research program comprised computer modeling, tissue-mimicking phantom experiments, and in vivo pig liver experiments. Computer modeling was based on the finite element method (FEM) to evaluate ablation temperature distributions. In tissue-mimicking phantom and in vivo pig liver ablation experiments, the performances of the water-cooled MW ablation array and conventional clamp crushing liver resection were compared. RESULTS: FEM showed that the maximum lateral ablation diameter at 100 W output and a duration of 60 s was 3 cm (assessed at 50 °C isotherm). In the phantom, the maximum transverse ablation diameter of the double-needle MW ablation increased rapidly to 3 cm in 60 s at 50 W. The blood loss and blood loss per transection area in Group A were significantly lower than those in Group B (18 (7-26) ml vs. 34 (19-57) ml, and 2.4 (2-3.1) ml/cm2 vs. 6.9 (3.2-8.3) ml/cm2, respectively) (p < 0.05). The transection speed in Group A (2.6(1.9-3.8) cm2/min) was significantly faster than that in Group B (1.7(1.1-2.2) cm2/min) (p < 0.05). CONCLUSION: In this experimental model, the new water-cooled MW array-assisted liver resection (LR) has the potential advantage of less blood loss and rapid removal than the conventional LR.

Prevalence of Eimeria parasites in the Hubei and Henan provinces of China.

Coccidiosis is an intestinal parasitic disease that causes huge economic losses in the poultry industry globally. Henan and Hubei, as important poultry production provinces in China, have great pressure for the prevention and control of chicken coccidiosis. In order to obtain information on the local prevalence of Eimeria species, we used an internal transcribed spacer 1 (ITS1) sequence of ribosomal DNA to identify the species from 318 fresh fecal samples. The fecal samples and the data relating to farm information were collected from 137 farms in Hubei and Henan provinces. As shown by genus-specific PCR results, the positivity rate of Eimeria was 97.17% (309/318), and the most common species were Eimeria mitis (66.67%), E. tenella (46.86%), and E. necatrix (41.51%). Then, we analyzed the correlation between the background information of each sample and the PCR identification results, which showed that indigenous farms in Henan province were at the greatest risk of harboring highly pathogenic Eimeria species and a larger proportion of such farms were positive for E. necatrix, the most pathogenic species. The results of this study showed that chicken coccidia was widespread, which provides important insights into the control of chicken coccidiosis in this region.

Computer modeling and in vitro experimental study of water-cooled microwave ablation array.

INTRODUCTION: Microwaves (MWs) quickly deliver relatively high temperatures into tumors and cover a large ablation zone. We present a research protocol for using water-cooled double-needle MW ablation arrays for tumor ablation here. MATERIAL AND METHODS: Our research program includes computer modeling, tissue-mimicking phantom experiments, and in vitro swine liver experiments. The computer modeling is based on the finite element method (FEM) to evaluate ablation temperature distributions. In tissue-mimicking phantom and in vitro swine liver ablation experiments, the performances of the new device and the single-needle MW device currently used in clinical practice are compared. RESULTS: FEM shows that the maximum transverse ablation diameter (MTAD) is 4.2 cm at 100 W output and 300 s (assessed at the 50 °C isotherm). In the tissue-mimicking phantom, the MTDA is 2.6 cm at 50 W and 300 s in single-needle MW ablation, and 4 cm in double needle MW ablation array. In in vitro swine liver experiments, the MTAD is 2.820 ± 0.127 cm at 100 W and 300 s in single-needle MW ablation, and 3.847 ± 0.103 cm in MW ablation array. CONCLUSION: A new type of water-cooled MW ablation array is designed and tested, and has potential advantages over currently used devices.

New Li10GeP2S12 Structure Ordering and Li-Ion Dynamics Unveiled in Li4GeS4-Li3PS4 Superionic Conductors: A Solid-State Nuclear Magnetic Resonance Study.

The fast Li-ion pathways in crystals contribute to superionic conductivity-extraordinarily high ionic conductivity-of the Li10GeP2S12 (LGPS) structure. Composition tuning is expected to improve the conductivity. The phase behavior, microstructure, and ion dynamics of a series of solid solutions of xLi4GeS4-yLi3PS4 (4/1 ≥ x/y ≥ 1/2) were studied by multiple 7Li and 31P solid-state NMR methods. Li10GeP2S12 (Ge/P = x/y = 1/2) is the smallest x/y of the disordered LGPS structure. When the Ge/P ratio increases, the room-temperature Li ionic conductivity first increases to a maximum around x/y = 1/1.2 and then decreases. Meanwhile, a disordered LGPS structure transforms into an ordered LGPS' structure synchronously with conductivity reduction. The Li4GeS4-Li3PS4 phase diagram with the order-disorder structure transition was reconstructed accordingly. Both ordered LGPS' and disordered LGPS exhibit similar two-dimensional (2D) and one-dimensional (1D) Li diffusion paths. But the disordered LGPS structure is conducive to fast ionic conductivity, rooted in its fast 2D Li+ diffusion in the ab-plane rather than 1D diffusion along the c-axis. Two high-temperature relaxation processes are observed in the LGPS' structure, suggesting heterogeneous 2D jumps of rapid and slow rates, whereas only a single homogeneous 2D jump process was found in the LGPS structure. Our findings provide insight into understanding the relationship between structure order (or disorder) and ionic conductivity of superionic materials, offering guidelines for optimizing ionic conductivity for extensive solid electrolyte materials rather than LGPS materials.

Polyethylene Glycol-Na+ Interface of Vanadium Hexacyanoferrate Cathode for Highly Stable Rechargeable Aqueous Sodium-Ion Battery.

Vanadium hexacyanoferrate (VHCF) with an open-framework crystal structure is a promising cathode material for rechargeable aqueous metal-ion batteries owing to its high electrochemical performance and easy synthesis. In this paper, vanadium hexacyanoferrate cathodes were first used for constructing rechargeable aqueous sodium-ion batteries (VHCF/WO3) and tested in the new-type electrolyte (NaP-4.6) consisting of a polyethylene glycol (PEG)/H2O/NaClO4 electrolyte with a low H+ concentration (molar ratio of [H2O]/[Na+] is 4.6), which has high stability at a high current density as high as 1000 mA g-1 with a capacity retention of 90.3% after 2000 cycles at high coulombic efficiency (above 97.8%). To understand their outstanding performance, the proton-assisted sodium-ion storage mechanism and interphase chemistry of VHCF are investigated by solid-state NMR (ssNMR) technology. It is suggested that the H+ storage reaction is accompanied by the redox of vanadium atoms and Na+ intercalation is accompanied by the redox of iron atoms. It is also observed that the complex of polyethylene glycol (PEG) with Na+ (PEG-Na+) exists on the VHCF surface, which facilitates the stability of VHCF and promotes the alkali-ion transfer at a high current density. The results of the ssNMR study offer new insights into the intercalation chemistry of Prussian blue analogues with open-framework-structured compounds, which can greatly broaden our horizons for battery research.

Structural disorder in the high-temperature cubic phase of GeTe.

In traditional materials science, structural disorder tends to break the symmetry of the lattice. In this work, however, we studied a case which may be opposite to this intuition. The prototypical phase change material, GeTe, undergoes the phase transition from the rhombohedral structure to a more symmetric cubic one at ∼625 K. Using ab initio molecular dynamics simulations, we demonstrated that even in the cubic phase, the lattice is constructed by random short and long bonds, instead of bonds with a uniform length. Such bifurcation of the bond lengths enabled by Peierls-like distortion persists in the entire temperature range (0-900 K), yet with different degrees of disorder, e.g., the atoms are distorted along a certain direction in the rhombohedral phase (i.e., structural order) but the distortion varies stochastically in terms of direction and amplitude at high T (i.e., structural disorder). A more symmetric lattice frame coexisting with severe local structural disorder is the signature of this cubic GeTe. Our simulations have provided a theoretical support on the disordered Peierls-like distortion in the high-T cubic phase discovered earlier by X-ray experiments. By modulating the physical properties that different degrees of disorder may induce, we are able to design better functional materials for various applications in electronic and photonic devices.

Enhanced reverse saturable absorption in graphene/Ag2S organic glasses.

G/Ag2S composites were synthesized for the first time by a hydrothermal method. X-ray diffraction, scanning electron microscopy, and transmission electron microscopy analysis demonstrated that Ag2S nanoparticles with a diameter of about 130 nm uniformly covered the graphene surfaces. G/Ag2S composites were dispersed in methyl methacrylate (MMA), polymerized at 75 °C for 30-35 min, and finally dried at 45 °C for 10 h, to afford G/Ag2S/PMMA organic glasses. The nonlinear absorption (NLA) properties of the G/Ag2S/PMMA organic glasses with different amounts of G/Ag2S were investigated by an open-aperture Z-scan technique. The experimental results showed that the G/Ag2S/PMMA organic glass with an appropriate amount of G/Ag2S exhibited enhanced reverse saturable absorption (RSA) properties compared to G/PMMA and Ag2S/PMMA organic glasses, which was attributed to the notable synergistic effects between graphene and Ag2S. Both one-photon absorption (OPA) in Ag2S and two-photon absorption (TPA) in graphene played important roles in RSA processes of the G/Ag2S/PMMA organic glasses. The effective NLA coefficient ßeff of the G/Ag2S/PMMA organic glasses was in the order of 10(3) cm GW(-1). Thus this kind of organic glasses have great promise in optical limiter and optical shutter applications.