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Several alkyl glucosides exhibit various bioactivities. 1-Octyl β- d -glucopyranoside produced by organic synthesis is used as a nonionic surfactant. However, no convenient method has been developed for the selective production of alkyl α-glucosides (α-AGs), such as 1-octyl α- d -glucopyranoside (α-OG). Therefore, we developed a simple method for selective production of α-AGs using the glucosyl transfer enzyme XgtA, (E.C. 3.2.1.20), derived from Xanthomonas campestris WU-9701. When 0.80 M alkyl alcohol and 2.5 units XgtA were incubated in 2.0 mL of 30 mM HEPES-NaOH buffer (pH 8.0) containing 1.2 M maltose at 45 °C, a specific α-AG corresponding to each alkyl alcohol (C2–C10) was detected. Under the standard conditions, we examined the selective production of α-OG from 1-octanol and maltose using XgtA. The reaction product was isolated and identified as α-OG via 1H nuclear magnetic resonance and nuclear overhauser effect spectroscopy analyses. No other glucosylated products, such as maltotriose, were detected in the reaction mixture. Under the standard conditions at 45 °C for 96 h, 243 mM α-OG (71 g/L) was produced in one batch production. Moreover, the addition of glucose isomerase to the reaction mixture decreased the concentration of glucose released via the reaction and increased the amount of α-OG produced; 359 mM α-OG (105 g/L) was maximally produced at 96 h. In conclusion, this study demonstrates the selective production of α-AGs using a simple enzymatic reaction, and XgtA has the potential to selectively produce various α-AGs. [Display omitted] [ABSTRACT FROM AUTHOR]

Here, a novel manganese oxidizing bacterium Morganella Morganii MnO x -1 was applied to synthesize biological iron-manganese oxides (BFMO) to simultaneously oxidize and adsorb As and Sb. The oxidization rates of As(III) and Sb(III) by BFMO were 74.13% and 51.85%, which were 1.43 and 1.30 times of that by biological manganese oxides (BMO), respectively. Moreover, the simultaneous removal rates of As(III), As(V), Sb(III) and Sb(V) (100 mg/L of each) by BFMO with the stain MnO x -1 were 87.05%, 94.23%, 79.65% and 84.33% in 7 days, and 80.26%, 99.32%, 82.97% and 88.50% in 28 days, respectively. In addition, BMO contributed to oxidize As(III) and Sb(III), and FeOOH was mainly responsible for adsorption by complexing with the metalloids in the simultaneous removal of As and Sb. The function groups on the surface of BFMO, such as -OH, C-O, C-O, C-C, etc. were also involved the adsorption processes. Our results have important implications for understanding the transformations of As and Sb intermediating by manganese oxidizing bacteria, and develop an environmental-friendly method for simultaneously removing As and Sb pollutants in water. [ABSTRACT FROM AUTHOR]

• Proposed a optical character correction method for large-curvature annular sector text. • Introduced polar coordinate transformation and image remapping to reconstruct text images. • Proposed a preprocessing method to improve text control point quality. • Distinguished the concavity and convexity of annular sector text. Optical character recognition (OCR) of complex morphologies represented by large-curvature annular sector text (AST) is a very challenging task. A three-segment text recognition framework consisting of detection, correction and recognition is currently an effective method for dealing with complex morphological OCR. Optical character correction (OCC) is a key component in processing largecurvature AST. This paper proposes an OCC method in the polar coordinate system, which consists of control point preprocessing, polar coordinate transformation, and image remapping. The control point preprocessing is used to normalize the control points of the large curvature AST region; the polar coordinate transformation is to convert the pixels in the rectangular coordinate system to the polar coordinate system; image remapping maps the original image in polar coordinate system to polar coordinate space for re-representation. The method proposed in this paper can be used in conjunction with most detection and recognition modules and is applicable to any language type. Furthermore, the correction process consumes very little computational resources and has little impact on the speed of text detection and recognition. Experimental results show that the proposed method outperforms state-of-the-art algorithms in large curvature AST correction and recognition experiments [ABSTRACT FROM AUTHOR]

To understand pyroptosis induced by ionizing radiation and its implications for radiation therapy, we explored the involved factors, possible mechanisms of radiation-induced pyroptosis and consequent antitumor immunity. The occurrence of pyroptosis was assessed by cell morphology, lactate dehydrogenase release, Annexin V/PI staining and the cleavage of Gasdermin E (GSDME). Cell radiosensitivity was tested with MTT and colony survival assays. Xenograft tumor volume, Ki-67, CD8+ lymphocytes, and ELISA were used to evaluate the effect of GSDME on tumor suppression after irradiation. Irradiation induced pyroptosis in GSDME high-expressing tumor cell lines covering lung, liver, breast, and glioma cancers. Cleavage of GSDME occurred in a dose- and time-dependent manner after irradiation, and pyroptosis could be induced by various kinds of irradiation. The combination of chemotherapy drugs for DNA damage (cisplatin or etoposide) or demethylation (decitabine or azacytidine) and irradiation significantly enhanced the occurrence of pyroptosis. Moreover, we revealed that the Caspase 9/Caspase 3/GSDME pathway was involved in irradiation-induced pyroptosis. Notably, enhanced tumor suppression was observed in Balb/c mice bearing GSDME-overexpressing 4T1 tumors compared with those bearing vector tumors for the promotion of antitumor immunity, which was manifested as distinctly elevated levels of cytotoxic T lymphocytes and release of the related cytokines rather than the direct effect of pyroptosis on tumor cell radiosensitivity. As an immunogenic cell death caused by radiation, pyroptosis promotes antitumor immunity after irradiation. Our findings may provide new insights to improve the efficacy of tumor radiation therapy. [ABSTRACT FROM AUTHOR]

Recently, coamorphization and cocrystal technologies are of particular interest in the pharmaceutical industry due to their ability to improve the solubility/dissolution and bioavailability of poorly water-soluble drugs, while the coamorphous system often tends to convert into the stable crystalline form usually crystalline physical mixture of each component during formulation preparation or storage. In this paper, BCS II drug baicalein (BAI) along with nicotinamide (NIC) were prepared into a single homogeneous coamorphous system with a single transition temperature at 42.5 °C. Interestingly, instead of the physical mixture of crystalline BAI and NIC, coamorphous BAI-NIC would transform to its cocrystal form under stress of temperature and humidity. The transformation rate under isothermal condition was temperature-dependent, since the crystallinity of the cocrystal enhanced as the temperature increased. Further mechanic studies showed the activation energy for the transformation under non-isothermal condition was calculated to be 184.52 kJ/mol. Additionally, water vapor sorption tests with further solid characterizations indicated the transformation was faster under higher humidity condition due to the faster nucleation process of cocrystal BAI-NIC. This research not only discovered the mechanism of transformation from coamorphous BAI-NIC to cocrystal form, but also provided an unusual method for cocrystal preparation from its coamorphous form. [ABSTRACT FROM AUTHOR]

Ethyl α- d -glucopyranoside (α-EG) is detected in sake (Japanese rice wine), that has moisturizing and skin conditioning effects. The production of α-EG by fermentation or enzymatic synthesis to date generates unwanted by-products such as maltooligosaccharides and/or organic acids. In this study, we employed a reaction involving selective α-glucosylation of ethanol by the α-glucosyl transfer enzyme (XgtA) of Xanthomonas campestris WU-9701. Under standard conditions, when 0.80 M ethanol and 1.2 M maltose were used as substrates with XgtA (2.5 units) and incubated in 30 mM HEPES–NaOH buffer (pH 8.0) at 45°C, only one form of ethyl glucopyranoside was selectively obtained as a product. The isolated product was identified as ethyl α- d -glucopyranoside by 1H NMR, 1H–1H COSY, and NOESY analyses. In the reaction mixture, other glucosylated products such as maltotriose and ethylmaltoside were not detected. Under optimum conditions, 180 mM (37.5 g/L) α-EG was produced in one batch production for 80 h. Further, the reaction rate of α-EG production decreased with an increase in glucose, especially more than 500 mM. In contrast, the addition of glucose isomerase decreased the concentration of glucose and was useful for maintaining a glucose concentration of less than 500 mM in the reaction mixture. Thus, owing to the enzymatic reaction with XgtA and glucose isomerase, as much as 260 mM (54.1 g/L) α-EG was produced in one batch production for 100 h. Altogether, this study reports the highest concentration of α-EG produced by enzymatic reaction. [Display omitted] [ABSTRACT FROM AUTHOR]

In this article, a novel SiC superjunction MOSFET with Schottky diode containing N- and P-type barrier is proposed to improving short-circuit and reverse recovery ruggedness, investigated by TCAD simulations. The adoption of superjunction and p-shields structure can reduce saturation current, and thus, improve short-circuit capability. A fine gate oxide providing long-term reliability of the device is obtained. Also, N-type Schottky diode for electrons is used to dampen bipolar conduction of the parasitic body diode, while P-type Schottky diode for holes is introduced to constrain the hole inflow and extraction attributed to the transient variation of the superjunction. As a result, compared with an SBD-wall-integrated trench MOSFET (SWITCH-MOS), a low on-resistance and high breakdown voltage of the proposed structure are gained. More importantly, the proposed device exhibits stronger temperature-dependent immunity. As expected, simulation results indicate that the proposed device under 10 nH stray inductance shows a 30%–50 % reduction in the peak reverse recovery current and a 50%–70 % decrease in the current rising slope of reverse recovery, compared to only a single superjunction, when the metal workfunction varies from 5.1 to 5.6 eV. Moreover, the short-circuit withstanding time of the proposed structure increases roughly 2 times longer than that of SWITCH-MOS. • Dual-type Schottky diodes. • Improving short-circuit capability. • Good reverse recovery robustness. • A good tradeoff between breakdown voltage and specific on-resistance. [ABSTRACT FROM AUTHOR]

• All dispersants considered acted in synergy with resins in peptizing asphaltenes. • Ionic liquid yielded the best dispersing power and the highest self-association. • Significant electron-withdrawing sites were main contributors to dispersing power. • Steric hinderance associated with molecular structure affected dispersing behavior. In confronting the global climate change, reusing waste asphalt materials stands out as a key strategy for the transportation sector to preserve natural resources and reduce the carbon footprint. Recycling additives or rejuvenators are usually required in this practice, especially for boosting the recycling rate. Given the imperative need for a general compositional design principle of rejuvenators, we previously proposed an innovative formulation concept by combining softeners with asphaltene dispersants, and reported that the use of dispersants largely reduced the total quantity of rejuvenators needed and thus would minimize the environmental impacts. The present study is aimed for probing the molecular mechanisms underlying this observation, with additional interest focused on the synergistic effect of the dispersants with resins and also on the impacts due to their self-association. Selection of representative materials consisted of three types of dispersants including an ionic liquid, a phenolic amphiphile, and an ester plasticizer, in combination with an aromatic oil as the softener. Long-time molecular dynamics (MD) simulation was employed to inspect the aggregation of asphaltenes. Quantum chemical (QC) computation was performed to provide insights into the source of different dispersing behaviors. The results indicated that the three dispersants all acted in concert with resins in dispersing asphaltenes. The dispersion characteristics of asphaltenes could be viewed as a net result of the two competing mechanisms of the dispersing capability and self-association of the dispersant used. The ionic liquid exhibited much higher propensity to self-association at increasing concentrations than the phenolic dispersant, and yet the optimum performance was achieved for both when they were added at low dosages. The ester plasticizer showed minimal self-association and yielded improved dispersion with increasing concentrations. In all cases, the dispersing functionality mainly originated from the presence or formation of significant electron-withdrawing sites, collectively due to the highly electronegative cation and anion, hydrogen bonding, and polar groups. Comparison of the dispersing power was also conducted from different perspectives. The findings are expected to provide molecular insights for formulating versatile and more environmentally benign asphalt rejuvenators. [ABSTRACT FROM AUTHOR]

• Rejuvenators were formulated by combining asphaltene dispersants with softeners. • All rejuvenation schemes effectively restored the rheology and moisture resistance. • Rejuvenated asphalts exhibited similar or better long-term performance than virgin. • Ionic liquid yielded the best dispersing efficiency and aromatic softener the least. • Polar groups and forming hydrogen bonding were speculated as primary contributors. The search and development of various asphalt rejuvenators have been following a trial-and-error methodology in essence; the imperative need of improved efficiency and versatility yearns for a general principle/framework of formulating rejuvenators. In this study, we propose one such formulation concept that rejuvenators can be designed by combining asphaltene dispersants (interacting with and dispersing asphaltenes) with softeners (diluting asphaltenes). This concept was preliminarily validated in an experimental program involving three rejuvenation schemes, namely using an aromatic softener alone (as the reference) and using it together with an ionic liquid or a phenolic compound (both acting as dispersants). Immediate and long-term rejuvenating effectiveness was evaluated based on viscoelastic properties, fatigue resistance, and moisture susceptibility. The results indicated that at respective optimum dosages, the three schemes all yielded satisfactory immediate performance of rejuvenation. After long-term aging, the rejuvenated asphalts demonstrated more desired viscoelastic characteristics in resisting high-temperature deformation and low-temperature cracking, and were more fatigue resistant, as compared to the virgin binder. Rejuvenation in all cases also recovered the moisture resistance nearly to the virgin level. Infrared spectrum analysis indicated that the performance restoration was accomplished by the agents blending physically with the aged binder, which decreased the concentrations of oxidation functional groups (carbonyl and sulfoxide). The incorporation of dispersants improved the aging resistance (in terms of high temperature viscoelasticity), and substantially reduced the need of aromatic softener while providing similar or better performance compared to using the softener alone, which would lead to pronounced environmental and economic benefits. The much higher dosage efficiency was ascribed to the capability of the dispersants in peptizing and dissociating the asphaltenes, as investigated by molecular dynamics simulations. The different dispersing behaviors of the additives were examined with reference to their chemical compositions and molecular structures. [ABSTRACT FROM AUTHOR]

• A nonlinear numerical model is developed by permafrost thermal degradation. • The permafrost evolution process of SAYR is showed from 1400 to 2100. • The "Permafrost Life Cycle" is presented by degradation simulation results. Permafrost degradation is currently receiving as much attention as global warming. Permafrost evolution is a particularly slow process, making it impossible to examine the entire process by observation. Based on the heat conduction theory, in this study, a nonlinear numerical model for the entire process of permafrost evolution was developed with consideration of phase transition. The numerical simulation model was used to retrospectively analyse the evolution process and degradation pattern of permafrost in Tangchama beach-land in the Source Area of the Yellow River (SAYR) from 1400 to 2100; this analysis was performed using ice core inversion results obtained from the Qinghai-Tibet Plateau since the Little Ice Age and various future climate change scenarios from the IPCC Fifth Assessment Report. The simulation results showed that: 1) since 1900, permafrost temperatures have substantially increased, exceeding the range of change between 1400 and 1900; under the RCP2.6, RCP6.0 and RCP8.5 scenarios, permafrost will degrade and disappear in the next 100 years, and the degradation rate will subsequently accelerate. 2) The permafrost table steadily goes downward at first, and the onset of fast permafrost degradation is signalled by the appearance of a residual thawed layer at a depth of 3–4 m. The permafrost layer then gradually thins out as the permafrost table rapidly descends and the permafrost base slowly ascends. The permafrost will fully deteriorate and vanish once the permafrost table and the permafrost base bounds overlap. 3) Due to permafrost degradation, the ground temperature curve can be divided into the following stages: uniform gradient stage, C-type stage, zero-gradient type stage and phase transition stage. The four stages of the "permafrost life cycle" are initial temperature warming, continuous temperature rising, residual thawed layer, and final permafrost disappearance. [ABSTRACT FROM AUTHOR]

This study investigates the discharge coefficient of a cylindrical hole with gas jets in liquid crossflow in a cavitation tunnel. Utilizing the Π theorem, the research examines the dimensionless parameters influencing the discharge coefficient. The results indicate that an increase in the Froude number notably diminishes the discharge coefficient at low-pressure ratios, primarily due to intensified crossflow shear effects, which constrain the effective flow area of the gas jet. However, as the pressure ratio increases, the gas jet velocity rises, attenuating the shear effect of the liquid crossflow and augmenting the discharge coefficient. Examining the correlation between total pressure ratio and discharge coefficient reveals that below a total pressure ratio of 1, the inhibiting effect of crossflow static pressure on the discharge coefficient is more pronounced than that of dynamic pressure. Conversely, beyond a ratio of 1, dynamic pressure imposes a more substantial inhibiting effect compared to static pressure. Additionally, the study assesses the impact of the jet Reynolds number on the discharge coefficient, demonstrating that the viscosity of gas jet has a negligible effect compared to the shear effect of the liquid crossflow. Furthermore, it is found that with an increase in the Euler number, the discharge coefficient increases at the same pressure or velocity ratio, decreases at the same momentum ratio, and remains unchanged at the same momentum flux ratio. Comparing the effects of those above non-dimensional parameters on the discharge coefficient indicates that the momentum flux ratio is the most significant dimensionless parameter that affects the discharge coefficient. • Experimentally studied the discharge coefficient of a gas jet in a liquid crossflow. • Proposed an equivalent total pressure ratio based on the incompressibility assumption. • Found that the effective flow area of the jet directly affects the discharge coefficient. • Provided a method for correlating the discharge coefficient. [ABSTRACT FROM AUTHOR]

Accurate prediction of the rate of penetration (ROP) is a difficult issue in the drilling process, especially under complex formation conditions. Many methods, such as mechanism and machine learning, were introduced to investigate it. However, most of them are offline prediction methods which may not be capable of capturing the online trend of ROP. In this paper, a novel dynamic model for ROP prediction is proposed considering the process characteristics, which consists of three stages. In the first stage, the correlations between ROP and eight drilling parameters are analyzed, and the rotational speed, weight on bit, depth are selected as the model inputs. In the second stage, the drilling data are pre-processed by using the filtering and re-sampling techniques. In the last stage, the moving window strategy, extreme learning machine, and 10-fold cross validation are used to establish the ROP model. Our main idea of online prediction of ROP lies in this last stage. Specifically, two steps (modeling and prediction) are executed alternately in the moving drilling depth windows so as to predict the ROP more accurately. Finally, the proposed ROP prediction model is applied to the drilling well ZK3 in Xiangyang area, Central China. The prediction accuracy is improved by at least 7% compared with seven well-known ROP prediction methods, two online and five offline, which validates the effectiveness of the proposed method. It is believed that the proposed model provides a basis for intelligent optimization control in drilling process. • A novel intelligent dynamic model is proposed for the online prediction of drilling ROP. • The influence of the length of moving window and distance between two windows are investigated thoroughly. • The proposed model can learn autonomously in the drilling process and has a fast computation speed. • The proposed method has a higher prediction accuracy than two online and five offline well-known conventional methods. [ABSTRACT FROM AUTHOR]

Airborne fine particulate matter (PM 2.5) is known to cause respiratory inflammation such as chronic obstructive pulmonary disease and lung fibrosis. NLRP3 inflammasome activation has been implicated in these diseases; however, due to the complexity in PM 2.5 compositions, it is difficult to differentiate the roles of the components in triggering this pathway. We collected eight real-life PM 2.5 samples for a comparative analysis of their effects on NLRP3 inflammasome activation and lung fibrosis. In vitro assays showed that although the PM 2.5 particles did not induce significant cytotoxicity at the dose range of 12.5 to 100 µg/mL, they induced potent TNF-α and IL-1β production in PMA differentiated THP-1 human macrophages and TGF-β1 production in BEAS-2B human bronchial epithelial cells. At the dose of 100 µg/mL, PM 2.5 induced NLRP3 inflammasome activation by inducing lysosomal damage and cathepsin B release, leading to IL-1β production. This was confirmed by using NLRP3- and ASC-deficient cells as well as a cathepsin B inhibitor, ca-074 ME. Administration of PM 2.5 via oropharyngeal aspiration at 2 mg/kg induced significant TGF-β1 production in the bronchoalveolar lavage fluid and collagen deposition in the lung at 21 days post-exposure, suggesting PM 2.5 has the potential to induce pulmonary fibrosis. The ranking of in vitro IL-1β production correlates well with the in vivo total cell count, TGF-β1 production, and collagen deposition. In summary, we demonstrate that the PM 2.5 is capable of inducing NLRP3 inflammasome activation, which triggers a series of cellular responses in the lung to induce fibrosis. [Display omitted] [ABSTRACT FROM AUTHOR]

Parkinson's disease (PD) is a common neurodegenerative disease in the elderly population. However, there are no reliable diagnostic biomarkers for PD, and the pathogenesis of PD still needs further study. The aim of the current study was to identify potential biomarkers and explore the pathogenesis of PD. We conducted an integrative analysis of messenger RNA (mRNA), microRNA (miRNA), and long noncoding RNA (lncRNA) expression profiles of PD using data from the Gene Expression Omnibus (GEO). The GSE110720, GSE110719 and GSE133347 data sets were selected and analysed. Gene ontology (GO) enrichment and gene set variation analysis (GSVA) were performed for annotation, visualization, and integrated discovery. Protein–protein interaction (PPI) and competing endogenous RNA (ceRNA) networks were constructed, and hub genes were identified. Meanwhile, the immune infiltration analysis of hub genes was analysed. Moreover, receiver operating characteristic (ROC) curves were generated to verify the diagnostic value of the differentially expressed genes (DEGs). Finally, the genes with high area under the curve (AUC) values were verified by human samples. We identified 464 DEGs closely related to PD, including 154 mRNAs, 134 miRNAs, and 176 lncRNAs. The GO analyses indicated that changes in PD were mainly enriched in receptor ligand activity and cytokine receptor binding. The KEGG enrichment analysis showed that these DEGs were significantly involved in cytokine-cytokine receptor interactions, signalling pathways regulating the pluripotency of stem cells and Th17 cell differentiation. GSVA suggested that growth factor binding, IL2-stat5 signalling, and IL6-jak-stat3 signalling were crucial in the development of PD. A total of five hub genes (NPBWR2, CXCL10, CXCL5, S1PR5, and GALR1) were selected via the PPI network. A ceRNA network of the CXCL5, CXCL10 and S1PR5 genes was constructed, and target genes of the three genes were screened. The immune infiltration analysis showed that there were significant differences in a variety of immune cells between the hub genes. The expression of DEGs was validated in clinical human samples by quantitative reverse transcription polymerase chain reaction (qRT-PCR). The expression levels of hsa-miR6895–5p, hsa-miR6791–5p, hsa-miR518f-5p, hsa-miR455–3p and TEKT4P2 were decreased, while the levels of TPTE2P6 were increased in human samples. These findings are consistent with the bioinformatics analysis results. We found that the immune inflammatory response and immune cell regulation were involved in the pathogenesis of PD. Five hub genes involved in the immune infiltration biological processes of PD based on bioinformatics. We verified the DEGs with significant differences by qRT-PCR. These findings might provide new insight into the pathogenesis of PD and the development of diagnostic and therapeutic strategies for PD. • A total of 464 differentially expressed genes in Parkinson's disease were identified by bioinformatics. • Five hub genes were identified by network construction. • The relationship between hub gene expression and immune infiltration was analysed. • The interesting and meaningful genes were verified by qRT-PCR. [ABSTRACT FROM AUTHOR]

• Coordination polymer {[Mn 2 (BTIA) 2 (H 2 O)]·7H 2 O} n was synthesized solvothermally. • The structure is a 4,8-connected 3D framework. • Antiferromagnetic (AF) interactions exist between Mn2+ ions. • The porous Mn-MOF shows a small uptake capacity for CO 2. One three dimensional metal organic framework {[Mn 2 (BTIA) 2 (H 2 O)]·7H 2 O} n (Mn-1) was synthesized from the multidentate organic linker 4,6-bistriazole isophthalic acid (H 2 BTIA) and MnCl 2 ·4H 2 O under solvothermally condition. The structure of 1 exhibits as a three-dimensional framework fabricated by the binuclear subunits [Mn 2 (COO) 2 (H 2 O)] and the organic linkers (H 2 BTIA). Topologically, it displays a binodal framework with Schläfli symbol (44 · 62) 2 (416 · 612), which contains one dimensional channels along a direction. The magnetic behavior of Mn-1 was investigated, which discloses the antiferromagnetic (AF) interactions between Mn2+ ions with the coupling constant J = −1.38 cm−1. In additin, the porous Mn-MOF shows a small uptake capacity for CO 2. [Display omitted] One 3D coordination polymers {[Mn 2 (BTIA) 2 (H 2 O)]·7H 2 O} n have been successfully obtained based on multidentate linker 4,6-bistriazole isophthalic acid (H 2 BTIA). The structure of 1 fabricated into a 3D MOF by the binuclear subunits [Mn 2 (COO) 2 (H 2 O)] and the organic connectors (H 2 BTIA). It displays a binodal framework with Schläfli symbol (44 · 62) 2 (416 · 612) with 1D channels along a direction. The magnetic behavior of Mn-1 discloses AF couplings between Mn2+ ions in every subunit. [ABSTRACT FROM AUTHOR]

• Semi-analytic methods are used to solve 3D DPL problems. • Compared with FEM, the semi-analytic method has higher computational efficiency. • The phase lag of heat flow and the phase lag of temperature gradient have influence on the temperature response speed and the formation of temperature field. With the development of picosecond laser technology, the dual-phase-lagging (DPL) model is more suitable to describe the heat transfer problem with micro-scale effect and micro-time effect. In this paper, a three-dimensional dual-phase-lagging heat transfer model for picosecond laser processing is established. Then Fourier transform (FT) and Laplace transform (LT) are used to derive the frequency response functions (FRFs) of the problem in the frequency domain, and the inverse Laplace transform (ILT) and discrete-convolution fast Fourier transform (DC-FFT) algorithm are used to solve the temperature field. The calculation accuracy of this method is verified and the effect of phase lag constants on temperature field is studied. The results show that the semi-analytical method has a high accuracy for solving the dual-phase-lagging heat conduction model, and the phase lag of heat flux will affect the heating rate in the heating stage, and the phase lag of temperature gradient will delay the formation of temperature field. The effect of phase lag constants on temperature-time history is investigated and the related phenomena are explained by using the two-step heat transfer theory. This semi-analytical method provides a new approach to solve the problem of three-dimensional dual-phase-lagging heat transfer. [ABSTRACT FROM AUTHOR]

Similar to gluten, zein can form a viscoelastic network upon hydration and shear. This makes zein a promising protein to develop gluten-free bakery products. In this study, the effect of addition of different hydrocolloids (hydroxypropyl methylcellulose (HPMC), guar and xanthan gum), and the inclusion of pregelatinized starch (PG starch) and lactic acid (LA) on zein-corn starch dough and bread properties was examined. The addition of HPMC, and to a lesser extent guar gum, significantly changed the viscoelastic zein dough properties and resulted in bread samples with improved loaf volume and sensory properties. Scanning electron microscopy revealed the formation of a continuous fine foam-like structure in the zein-starch dough when HPMC and guar gum were added. This finer structure translated in a lower dough stiffness and resistance to deformation, and a higher degree of deformation characterized by lower complex moduli and increased creep compliance values. Xanthan gum addition, conversely, had an adverse effect on zein bread loaf volume which was attributed to potential weak repulsion between xanthan and zein molecules. In addition, the amount of α-helix and β-sheet secondary structures in bread samples was altered upon hydrocolloid and PG starch addition and played a role in bread crumb hardness. Overall, the zein bread with HPMC showed textural properties most similar to gluten bread. This research sheds light on different structure levels of zein-based gluten-free recipes as affected by inclusion of hydrocolloids, PG starch and LA, and provides a sound basis for the rational development of zein-based gluten-free breads. [Display omitted] • Zein forms a viscoelastic fibrillar network upon hydration and shear. • Zein-starch (Z-S) systems hold promise for gluten-free bread production. • Hydrocolloid addition alters the viscoelastic dough properties of Z-S recipes. • Hydrocolloid characteristics strongly determine protein structure in Z-S recipes. • Molecular built and microstructure of hydrocolloid Z-S dough relate to loaf quality. [ABSTRACT FROM AUTHOR]

[Display omitted] • The work provides a rapid preparation method for defective HKUST-1 with hierarchical micropores and mesopores and Cu1+/Cu2+ mixed-valence sites. • Defective HKUST-1 exhibited specific loading of silibinin A&B with larger molecules from silymarin within 5 min, and high separation efficiency with 91.2% purity after primary separation. • The site competition mechanism for specific recognition and loading of active monomers into mesopores of defective MOF was elucidated at molecular level. • Silibinin A&B preferentially acted on Cu2+ and Cu1+ clusters with the highest binding energy via hydrogen and coordination bonds, respectively. • The separation approach by defective MOF is easy to operate, and requires no specific equipment. Discovering and separating active monomers from natural products is an efficient way to develop new drugs, but faces the difficulty in complex and time-consuming separation process. Metal-organic frameworks (MOFs) are considered a promising separation strategy due to their molecular recognition properties, but their microporous nature poses challenges for capturing most natural compounds with molecule sizes larger than 20 Å. For the first time, this study proposed a simple and efficient approach to separate active monomeric components with larger diameters from structurally similar natural compounds by defect modulation strategy. In this study, defective HKUST-1 with hierarchical microporous/ mesoporous structures and Cu1+/Cu2+ mixed-valence sites was rapidly synthesized. The defective MOF demonstrated specific loading of silibinin A&B from silymarin containing seven structurally similar flavonoids within 5 min, and high separation capacity with the purity of ∼91.2% after primary separation. FTIR, XPS, and DFT calculation revealed the site competition mechanism for specific recognition and loading, where silibinin A&B preferentially acted on Cu2+ and Cu1+ clusters with the highest binding energy via hydrogen and coordination bonds, respectively. Compared to traditional separation techniques, the separation approach via defective MOF shows multiple advantages including high specificity, high separation efficiency, and easy to operate. [ABSTRACT FROM AUTHOR]

The development of nanophononic metamaterials presents new opportunities for controlling thermal conduction. Using the theory of elasticity and the finite element method, we systematically investigated the thermal conductance of two-dimensional nanophononic metamaterials embedded with cylindrical arrays. When the sound speed of the embedded material is higher than matrix, there is a weak correlation between structural parameters and thermal conductance. However, when the nanophononic metamaterials are embedded with lower sound speed materials, they exhibit clear local resonances. The local resonance frequency can move to a higher or lower range depending on the filler radius. Local resonances reduce group velocity but greatly increase the phonon density of states, contributing to an increase in thermal conductance. Furthermore, this conclusion applies to nanophononic metamaterials with different matrix materials. • We investigate thermal transport properties of 2D nanophononic metamaterials. • Nanophononic metamaterials embedded with soft materials exhibit local resonances. • Local resonances reduce group velocity but increase the phonon density of states. • Local resonances finally lead to an increase in thermal conductance. • The frequency of these local resonances can move to a higher or lower range. [ABSTRACT FROM AUTHOR]

• Oxidative aging promoted and further stabilized asphaltene aggregation. • The driving force for aggregation was dispersion between the fused aromatic cores. • All additives reduced asphaltene aggregation and improved orientational randomness. • TBC exhibited the highest potential due to spatial distribution of four polar sites. Economic and environmental sustainability has been a significant stimulus to the use of recycled asphalt materials in the pavement industry. In this practice, rejuvenators are usually required to treat the oxidized asphalts with the aim to restore the physical properties and engineering performance. A critical function required for rejuvenators is that they can deagglomerate the asphaltene aggregates by effectively interacting with them. This study employed the techniques of molecular dynamics simulations and quantum chemical calculations, and investigated the impacts of oxidation on asphaltenes and the deagglomerating potential of three selected additives with different molecular structures and polarities, i.e., tributyl citrate (TBC), limonene, and myristamide. Analyses based on the aggregation number, orientational order parameter, and decomposition of the interaction energy indicated that oxidation strengthened the binding between the asphaltenes and thus promoted their aggregation behaviors. Among the three additives, TBC exhibited the highest rejuvenating effectiveness as it restrained the formation of large asphaltene aggregates and improved the orientational randomness of the aromatic cores. This capability was attributed to the highest number of polar sites in TBC and its three-dimensional spatial structure, which enhanced the compatibility and interactions with the aged asphaltenes. Based on the independent gradient model (IGM) method, the asphaltene aggregation is driven by the π-π interactions dominated by dispersion forces between the fused aromatic cores. The additives weakened the asphaltene interactions to different degrees, but the reversing effects were limited compared to the unaged state. [ABSTRACT FROM AUTHOR]

• Two coordination polymers {[Co(TIA)(H 2 O) 2 ]·0.25H 2 O} n and {[Mn(TIA)(H 2 O) 2 ]·0.5H 2 O} n were successfully obtained. Both of them are as 3,3-linked two-dimensional layers. The static and/or dynamic magnetic characteristics of the two polymers were investigated.Graphical Abstract Two coordination polymers {[Co(TIA)(H 2 O) 2 ]·0.25H 2 O} n (Co-1), and {[Mn(TIA)(H 2 O) 2 ]·0.5H 2 O} n (Mn-2) were obtained solvothermally based on the exquisite combination of multidentate rigid linker 5-(1H-1,2,4-triazol-1-yl) isophthalic acid (H 2 TIA) and M(NO 3) 2 ·6H 2 O (M = Co(II), Mn(II)). The structures of 1-2 are both as 3,3-linked two-dimensional layers, which assemble into three dimensional supramolecular microporous structures by O−H⋅⋅⋅O hydrogen bonds. In addition, the static and/or dynamic magnetic characteristics of the two polymers were investigated. [Display omitted] [ABSTRACT FROM AUTHOR]

When a coded strip-patterns image (CSI) is captured in a structured light system (SLs), it often suffers from low visibility at low exposure settings. Besides degrading the visual perception of the CSI, this poor quality also significantly affects the performance of 3D model reconstruction. Most of the existing image-enhanced methods, however, focus on processing natural images but not CSI. In this paper, we propose a novel and effective CSI enhancer (CSIE) designed for SLs. More concretely, a bidirectional perceptual consistency (BPC) criterion, including relative grayscale (RG), exposure, and texture level priors, is first introduced to ensure visual consistency before and after enhancement. Then, constrained by BPC, the optimization function estimates solutions of illumination with piecewise smoothness and reflectance with detail preservation. With well-refined solutions, CSIE results can be achieved accordingly and further improve the details performance of 3D model reconstruction. Experiments on multiple sets of challenging CSI sequences show that our CSIE outperforms the existing used for natural image-enhanced methods in terms of 2D enhancement, point clouds extraction (at least 17% improvement), and 3D model reconstruction. [ABSTRACT FROM AUTHOR]

• A two-stage network framework containing feature extraction from multiple domains. • A two-stage domain adaptation method based on global and class granularity. • A pseudo-tag filtering method based on high-confidence multi-classifier voting. The issue of restricted target domain tags and constrained information offered by a single source domain in the intelligent fault diagnosis may be successfully resolved by multi-source domain adaptation. Compared with traditional domain adaptation methods, multisource domain adaptation methods face more difficult challenges: the differences between domains are more complex. Hence, a two-stage domain alignment method for multi-source domain fault diagnosis is proposed. The method is accomplished by developing a common feature extractor and several domain feature extractors and classifiers, along with the two-stage distribution adaptation method. Finally, the classifier is used to forecast target samples, while the voting mechanism is utilized to construct the target samples' pseudo labels. With the resulting pseudo labels, the final model training is completed. [ABSTRACT FROM AUTHOR]

[Display omitted] • 1D/2D hybrid carbon film and PDMS were developed as strain-temperature sensor. • CNTs in hybrid film served as "bridges" to widen the strain sensing range. • The prestrain-induced microcracks strategy improved the temperature sensitivity. • The sensor can be used for monitoring various human motions. • The sensor can perceive body or environmental temperature for thermal management. E-skin that can mimic the complex functions of human skin has attracted considerable interest in health monitoring and medical diagnosis. However, the accurate and reliable detection of multiple external stimuli using a sole sensing component remains challenging. Herein, we describe a flexible strain-temperature sensor fabricated by employing conductive 1D multi-walled carbon nanotubes (MWCNTs), 2D reduced graphene oxide (RGO) and a flexible polydimethylsiloxane (PDMS) substrate to construct a sandwich structure. Consequently, the flexible MWCNTs@RGO hybrid film with optimized conductivity exhibits a high gauge factor (GF = 1888) at a strain up to 40 %, prominent long-term durability (8000 cycles at 25 % strain), low strain detection (0.05 %) and rapid response (57 ms). The significantly enhanced performance is attributed to the synergy of tubular MWCNTs and layered RGO, as revealed by finite element analysis. Additionally, the hybrid film sensor exhibits temperature-sensing ability with a typical negative temperature coefficient of resistance and delivers an improved sensitivity upon thermal stimulus via prestrain-induced microcracks and a thermal expansion strategy. Owing to its excellent sensing properties, it can not only detect human motions in various situations but also be adopted as a temperature warning/cooling system, supporting its feasibility for use by patients lacking temperature perception and bringing convenience to daily life. [ABSTRACT FROM AUTHOR]

• Total ionizing dose effect on the voltage-controlled magnetic anisotropy Hall bar device based on HfZrO/CoFeB hybrid film. • Voltage-controlled magnetic anisotropy effect is enhanced with the accumulation of irradiation dosage. • The proposed mechanism focus on interfacial trapped charges. • HfZrO/CoFeB hybrid film possess potential for radiation-hard memory. We investigate the total ionizing dose (TID) effect on the voltage-controlled magnetic anisotropy (VCMA) Hall bar device based on HfZrO/CoFeB hybrid film. Devices under test are exposed to 1.17 MeV 60Co γ-ray at the dose rate of 50 rad(Si)/s. The Anomalous Hall measurement is performed at several certain irradiation dosages. The results show that the VCMA effect is enhanced with the accumulation of irradiation dosage. We propose a mechanism of interface trapped charges to explain this phenomenon. Thus, our work indicates that the magnetic tunneling junction based on HfZrO/CoFeB hybrid film is a promising building block for radiation-hard VCMA-MRAM (magneto-resistive random-access memory). [ABSTRACT FROM AUTHOR]

The surface morphology formed at the initial growth stage is crucial for the homoepitaxial growth of large-area single-crystal diamond (SCD). In this paper, the self-assembly of off-angles on diamond (001) crystal face and the evolution of surface morphology during the epitaxial lateral outward growth of SCD by microwave plasma chemical vapor deposition (MPCVD) have been intensively investigated. At the beginning of the growth, inwardly inclined off-angles formed at the corners of the top surface of SCD sample, which may lead to the formation of secondary nucleation and polycrystalline diamond (PCD) at the edge regions. In comparison, the size of the SCD plate after repeated homoepitaxial lateral growth could be expanded from 3 × 3 mm2 to 4.9 × 4.9 mm2 by self-assembling an outwardly inclined off-angle on diamond (001) crystal face at initial growth stage. The SCD without PCD rim could be obtained in both enclosed holder and semi-open type holder by self-constructing an outwardly inclined off-angle on the growth surface. The lateral growth rate of SCD in the semi-open holder was increased by 2.3 times compared with that in the enclosed holder. Additionally, the lateral surface of SCD grown in a semi-open holder shows a typical step-flow growth pattern. The size of single-crystal diamond with two rounds of the epitaxial lateral growth can be expanded from 3 × 3 mm2 to 4.9 × 4.9 mm2 by self-forming an outwardly inclined off-angle on diamond (001) surface. [Display omitted] • At the beginning of growth, the off-angle self-formed in different directions affects the top surface size of SCD. • By self-assembling the off-axis surface on {100} substrates, SCD samples were laterally grown in different types of holder. • The lateral growth rate of SCD on the semi-open holder is increased by 2.3 times compared to that on the enclosed holder. [ABSTRACT FROM AUTHOR]

• The aromatic additive was not capable of deagglomerating the asphaltenes due to low polarity and nearly planar structure. • The two polar additives disintegrated the asphaltene dimer by exfoliating off and separating the top monomer. • Hydrogen bonding and the distribution of polar groups were key to deagglomeration. • A single additive molecule yielded temporary dimer disintegration and could not prevent the eventual re-dimerization. Recycling agent plays an increasingly important role in promoting asphalt pavement sustainability, as it allows to bump up the incorporating dosage of recycled asphalt materials. The desired characteristics of a recycling agent includes not only the softening effect but also the capability of deagglomerating the oxidized asphaltenes by effectively interacting with them. The objective of this study was to provide novel insights into the deagglomerating potential of three additives selected based on the structural and compositional discrepancies, including an aromatic extract C 12 H 16 , a bio-additive myristamide C 14 H 29 NO, and a common plasticizer tributyl citrate (TBC) C 18 H 32 O 7. Steered molecular dynamics simulation was performed to obtain the intercalation in which each additive was intercalated between the stacking asphaltene sheets, with the objective to simulate the outcome of blending and mixing. These configurations were then subjected to long-time simulations during which the structural changes and the interactions were tracked. The results indicated that the aromatic extract yielded the least impact on the asphaltene dimer configuration during intercalation and had little deagglomerating effectiveness. Owing to the higher molecular flexibility and polarity, the other two additives produced more pronounced changes in the dimer structure during intercalation. They were able to disintegrate the dimer by exfoliating off and separating an asphaltene monomer, even though the effects were only temporary before re-dimerization occurred. Different types of interactions of the additives with the asphaltenes were visualized based on quantum chemical computations and discussed with respect to their contributions to the deagglomerating behaviors. [ABSTRACT FROM AUTHOR]

This paper considers the problem of position tracking control of the autonomous underwater gliders, which operates under the environment of model uncertainties and external disturbances. The motion of the glider is controlled by ballast mass and moving mass, which have limited dynamic range. An adaptive control system for position tracking based on filtered backstepping is proposed, and neural networks and sliding mode control are used to improve robustness. Next, using Lyapunov stability theory, it is proved that all the signals are bounded and tracking errors eventually converge to a neighborhood of zero. The presented controller can be easily put into practice without the requirement to know the parameters of the glider and the value of external environmental disturbances. Finally, the effectiveness and good robustness of the proposed control system are verified by simulation results. • The position is taken as the control target for the six degrees of freedom movement of AUG. • The filtered backstepping method is used to solve the problem of "explosion of complexity". • The neural networks are used to solve the problem of model uncertainties. • The SMC is used to solve the problem of the disturbances and the approximation errors of neural networks. [ABSTRACT FROM AUTHOR]

Multicomponent heterogeneous nanomaterials generally have the potential to exhibit excellent electrochemical performance. Herein, Mn-doped Ni(OH) 2 , NiO and C heterogeneous composites are designed and synthesized by using metal-organic frameworks (MOFs) as self-sacrificial templates. The synergistic effect brought by the multicomponent heterogeneous composition effectively improves the charge storage capacity, the two-dimensional nanosheet structure provides a large specific surface area, and the graphitic carbon enhances the electrical conductivity. The Mn-Ni(OH) 2 /NiO@C composite as an electrode material exhibits a specific capacity of 732.1 C g−1 at 1 A g−1. Furthermore, the assembled Mn-Ni(OH) 2 /NiO@C//AC HSC device can output 38.0 Wh kg−1 at a power density of 849.2 W Kg−1, with 82.9% retention after 5000 cycles. This study provides a novel strategy for MOFs as templates to obtain multicomponent energy storage materials. [Display omitted] • Mn-Ni(OH) 2 /NiO@C heterogeneous composites obtained by Ni-MOF as self-sacrificial template. • Mn-Ni(OH) 2 /NiO@C heterogeneous composites exhibits a unique porous nanosheet structure. • The Mn-Ni(OH) 2 /NiO@C electrode possess high specific capacity. • The assembled Mn-Ni(OH) 2 /NiO@C//AC hybrid supercapacitor exhibit excellent electrochemical performance. [ABSTRACT FROM AUTHOR]

[Display omitted] • The plasticizers of DBP and TBC effectively restored the stiffness, relaxation capability, and crack resistance of the aged asphalt. • Both plasticizers lowered the glass transition temperature and broadened the transition region and linear viscoelastic relaxation spectrum. • TBC exhibited a stronger deagglomerating effect based on analytical characterizations and molecular dynamics simulations. • The higher rejuvenating effectiveness of TBC was due to its higher polarity and forming hydrogen bonds with asphalt molecules. Plasticizers are common additives used to enhance the flexibility and workability of polymer materials. Recent findings suggest a great potential for typical plasticizers being used as rejuvenators to recycle oxidized paving asphalts. This study investigated the rejuvenating effectiveness of two plasticizers via rheological evaluation and explored the underlying mechanism by analytical characterizations and molecular dynamics (MD) simulations. A conventional plasticizer dibutyl phthalate (DBP) and an environmentally friendly tributyl citrate (TBC) were selected given the discrepancies in their molecular structures. Both plasticizers were effective in restoring the rheological performance of the aged asphalt; TBC was relatively more efficient which was attributed to its higher molecular polarity and the formation of hydrogen bonds with the oxidized asphalt molecules. Analyses based on the gel permeation chromatography and differential scanning calorimetry suggested the capability of the plasticizers in dissociating the oxidized asphalt molecules and improving the molecular mobility. The improved molecular mobility was considered responsible for the reversing effect of the plasticizers, as compared to aging, in terms of widening the relaxation spectrum and broadening the glass transition region. The plasticizers' dissociating effect was confirmed and visualized in the simulations by inspecting their impacts on the spatial arrangement and distribution of the asphaltenes. [ABSTRACT FROM AUTHOR]

• An amorphous P-doped bimetallic NiCo-MOF was prepared as a precursor material. • A di-heteroatom doped heterogeneous Ni-Co hybrid material (P-NiCoS@C) with amorphous structure was synthesized for HSC device. • 3. The P-NiCoS@C electrode exhibits a high specific capacity of 1168.2 C g−2 at 1 A g−1. • 4. The assembled P-NiCoS@C//AC HSC device can achieves the high energy density with the excellent cyclic performance. Amorphous electrode materials can have some unique advantages for supercapacitors. Herein, P and S di-heteroatom doped heterogeneous Ni-Co hybrid nanomaterial (P-NiCoS@C) with an amorphous structure is designed and used as the positive electrode material for hybrid supercapacitor (HSC). The amorphous P-NiCoS@C nanomaterials are synthesized using amorphous P-doped NiCo-MOF as the sacrificial template, followed by a thermal treatment process to simultaneously complete carbonization and S doping. The unique nanoparticle structure provides a large specific surface area, abundant reactive sites and high redox activity. As an electrode material, P-NiCoS@C exhibits superior electrochemical performance, with a specific capacity of 1168.2 C g−1 at 1 A g−1. Moreover, the assembled P-NiCoS@C//activated carbon HSC device can output a high energy density of 55.8 Wh kg−1 at a power density of 800.0 W kg−1, and retained 75.7% of the initial performance after 10,000 cycles. This research provides a new perspective for obtaining electrode materials with high charge storage performance. Graphical Abstract. [Display omitted]. [ABSTRACT FROM AUTHOR]

• The Zn-MOF characters as a (32,4-c net) 3D skeleton. It contains one-dimensional channels. Zn-1 exhibits excellent adsorption behavior of anionic dyes CR2–, MO–, and EBT–. The adsorption results were simulated by AIMD simulations. It also displays good separation performance of a variety of anionic and cationic dyes. One porous metal−organic framework {[Zn(TIA)(DPE) 0.5 ]·3DMF} n (Zn-1) was successfully constructed under solvo-thermal reaction of Zn(NO 3) 2 ·6H 2 O with multifunctional ligand 3-(4H-1,2,4-triazol-1-yl)-isophthalic acid (H 2 TIA) and linear bridge dipyridyl ethylene (DPE). Polymer Zn-1 characters as a (32,4-c net) 3D skeleton containing uni-dimensional channels, which results in its high efficient adsorption behavior of anionic dyes CR2−, MO–, and EBT–. Especially for the large-size CR2−, it shows the most rapid removal rate. More importantly, it realized good separation effects of mixed anionic and cationic dyes (CR2−/MB+ and MO–/MB+). Such excellent performances of dye adsorption and separation are mainly caused by the uni-dimensional channels of MOF Zn-1 and supramolecular interactions between guest-host, which was supported by ab initio molecular dynamics (AIMD) simulations. Synopsis Using a bifunctional ligand 3-(1H-1,2,4-triazol-1-yl)isophthalic acid (H 2 TIA) and a linear bridge dipyridyl ethylene (DPE), one porous Zn-MOF (Zn-1) has been successfully obtained. The framework of Zn-1 characters as a (32,4-c net) 3D skeleton containing large size uni-dimensional channels. In addition, Zn-1 exhibits excellent adsorption behavior of anionic dyes CR2−, MO–, and EBT–, which was confirmed by ab initio molecular dynamics (AIMD) simulations. Further, the adsorbed anion dyes can be readily set free in saturated NaCl aqueous solution. What's more, it displays good separation performance of a variety of anionic and cationic dyes, such as CR2−/MB+ and MO–/MB+. [Display omitted] [ABSTRACT FROM AUTHOR]

• A multi-scale convolutional neural network (MS-CNN) model for transfer learning is proposed. • A domain alignment method based on local central moment discrepancy in class subspace is proposed. • Compared with the central moment discrepancy (CMD), the local center moment discrepancy (LCMD) performs better in transfer diagnosis. Transfer learning is an excellent approach to deal with the problem that the target domain label can not be adequately obtained when rolling bearing cross-condition fault detection. A transfer learning fault diagnosis method of multi-scale CNN rolling bearings based on local central moment discrepancy is presented in this research. The method maps bearing vibration data to a shared space by building a shared multi-scale feature extraction structure and fully connected layers. The source domain label and target domain pseudo-label are used to divide the category subspace in the shared space. And then the local central moment discrepancy is used to match source and target domain in the category subspace to realize fault knowledge transfer under different conditions. The experimental findings reveal that multi-scale CNN migration diagnosis based on local central moment discrepancy has superior accuracy and stability in diverse diagnostic tasks when compared to classic transfer learning approaches. [ABSTRACT FROM AUTHOR]

• LLDT-8 intervention did not affect T cell activation in SIV-infected RMs. • Treatment with ART and LLDT-8 not affect the rebound time of SIV RNA. • SIV reservoir is persistent after infection even ART and LLDT-8 intervention. Human immunodeficiency virus (HIV) infections induce robust, generalized inflammatory responses and lead to pathological systemic immune activation. This abnormal immune status persists despite successful antiretroviral therapy (ART). Immune modulating strategies in conjunction with ART were tried to reduce abnormal immune activation. Previously, we demonstrated that Tripterygium Wilfordii Hook F has been shown immunosuppressive activity in HIV patients. (5R)-5-hydroxytriptolide (LLDT-8), a new analog of triptolide, and the most active ingredient of Tripterygium Wilfordii Hook F, has been shown to have lower cytotoxicity. However, the role of LLDT-8 in HIV or simian immunodeficiency virus (SIV) needs to be explored. Six male adult Chinese rhesus monkeys were enrolled in our study. All of them were healthy and negative for SIV, and chronically SIVmac239 infected macaques were treated with LLDT-8 combined with ART (n = 4) or ART only (n = 2) after 14 weeks of infection. ART was determined at week 33, and LLDT-8 was continued until week 48. T cell immune activation and inflammation were compared during the period, and viral rebound time and reservoir were supervised after stopping ART. The RNA level of the two groups continued to decline after initiating ART, RNA of 4 rhesus monkeys declined to the lower limit of detection at week 20. LLDT-8 administration combined with ART did not affect T cell activation and plasma levels of IL-6 and CRP. The viral load of all the macaques in both groups was rebounded 2 weeks after ART discontinuation. Furthermore, no significant decrease of SIV DNA was observed in the LLDT-8 treatment group. LLDT-8 administration during chronic SIV infection had no effect on T cell activation and plasma levels; Furthermore, LLDT-8 may not contribute to suppression of viral rebound and reservoir. These results suggest that LLDT-8 is unlikely to reduce immune activation and viral persistence without additional interventions. [ABSTRACT FROM AUTHOR]

[Display omitted] • Eco-efficiency of cultivated land use (EECLU) is evaluated. • Both carbon sequestration and carbon emissions are considered for measuring EECLU. • Super-efficiency SBM-DEA with undesirable output & panel data analysis are used. • Size has positive impact on the EECLU. • Shape complexity and patch fragmentation have negative impacts on the EECLU. With China's rapid urbanization and socioeconomic development, cultivated land has been experiencing continuous reduction, spatial shift, and ecological degradation in the past few decades, coupled with the decreasing and aging agricultural labor force, thus improving cultivated land utilization efficiency while minimizing associated environmental impacts is one of the major challenges facing China. This study first establishes an index system to access the eco-efficiency of cultivated land use (EECLU) considering both carbon sequestration and carbon emissions, next, employs the Super-SBM model to evaluate the spatial–temporal characteristics of EECLU, then, uses landscape metrics to describe landscape pattern dynamics of cultivated land, and finally conducts panel data analysis to investigate the relationship between landscape pattern changes and the EECLU variations. This framework was applied to Jiangsu Province, a major grain-producing area with a developed economy. The results showed that the average EECLU of the counties in rural Jiangsu from 2000 to 2020 slightly decreased, most counties were in the medium–low efficiency range (0.6–0.8), and Southern Jiangsu generally has the lowest EECLU values while Central Jiangsu has the highest. The total area and the average patch sizes of cultivated land have significantly positive impacts on EECLU, while the shape complexity and patch fragmentation have significantly negative impacts on EECLU. Therefore, comprehensive low-carbon strategies and better management and technology in the agricultural sector are needed to further improve EECLU. On the premise of protecting the total area of cultivated land, larger and more aggregated land patches should be promoted in the land consolidation process, and the cultivated land targeted for occupation or compensation should be able to simplify the overall shape of cultivated land patches. [ABSTRACT FROM AUTHOR]

• Ultra-fast electrochemical in-situ growth of NiCo-based hydroxides on nickel foams. • The in-situ grown NiCo-LDHs comprise rough and porous hierarchical nanosheets. • The Ni 1 Co 2 /NF electrode has a high specific capacity of 3.01 C cm−2 at 1 mA cm−2. • The assembled HSC device has a high energy density of 97.4 μWh cm−2 at 800.5 μW cm−2. • The assembled HSC device retains 85.0% of its initial capacity after 5000 cycles. [Display omitted] Development of electrode materials with high electrochemical charge storage capabilities through cost-effective methods has attracted intensive attention from researchers. Herein, a low-cost and scaled-up method for electrochemical synthesis of monolithic electrodes is presented. Nickel foam (NF) was chemically etched using the transition metal (NiCo-based) nitrate solutions with different ratios of Ni and Co. After being rinsed and dried, the etched NF was used as anode in an alkaline solution and a Pt mesh was utilized as cathode. Shortly after a constant voltage was applied to the two-electrode system, NiCo-based layered double hydroxides (NiCo-LDHs) were found to be self-grown on the NF with an ultra-fast rate. The in situ grown NiCo-LDHs were composed of hierarchical nanosheets with rough and porous surfaces, and had a high specific area. The monolithic Ni 1 Co 2 /NF electrode exhibited the best electrochemical performance with a high specific capacity of 3.01 C cm−2 at 1 mA cm−2. A hybrid supercapacitor was assembled using the Ni 1 Co 2 /NF as positive electrode and activated carbon as negative electrode. It exhibited a high energy density of 97.4 μWh cm−2 at a power density of 800.5 μW cm−2, and retained 85.0% of initial capacity after 5000 cycles. [ABSTRACT FROM AUTHOR]

• A three-dimensional cavity topology model for dynamic simulations is established. • The planning model of supercavitating vehicles is improved for more degrees of freedom. • A numerical algorithm to simulate supercavitating vehicles in three-dimensional space is developed. • Evolution of cavity shape and dynamic characteristics of vehicles are compared by fins deflection. The maneuvering motion of a supercavitating vehicle pitching and yawing inevitably occurs when navigating in three-dimensional space. In order to give some insights into design of underwater vehicles, the maneuvering motion in the longitudinal and horizontal planes is investigated in this paper. Considering the definition of multi-body coordinate frames, a three-dimensional cavity topology model is proposed to predict the development of the shape of cavity and interact with the supercavitating vehicle in the simulations. Based on the cavity model, an improved planning model is established to calculate the necessary critical parameters of the planning force. According to the mathematical model above, a numerical algorithm is developed to simulate the maneuvering motion of the supercavitating vehicle. The higher algorithm efficiency is validated by the relative error of 10% order of magnitude and the more stable performance. The real-time scene figures and time-varying curves of the dynamic characteristics are obtained through the developed algorithm to study the influence of fins deflection on the maneuvering motion. The developed algorithm is validated to some extent to be a better alternative than the empirical one and provides a new method for analyses of simulation results of supercavitating vehicles. [ABSTRACT FROM AUTHOR]

• A novel diagnosis model(MFFRVM) is proposed for the deterioration state diagnosis of planetary gearboxes. • A new online wear debris index is extracted to evaluate the wear evolution of planetary gears with pitting faults. • Condition monitoring is conducted on a self-made planetary gearbox test rig with manufactured pitting faults. • Combining the MFFRVM model and ADIDC index can better diagnose the pitting fault and reflect the wear evolution of gears. The deterioration state of planetary gearboxes with pitting faults cannot be diagnosed and evaluated effectively with a single type of monitoring signal and traditional features. In this study, a new diagnose method was proposed based on the tribology and vibration signal of planetary gear systems. A new feature extraction approach was exploited to construct a multi-feature fusion relevance vector machine (MFFRVM) model for diagnosing the deterioration state of planetary gearboxes. Meanwhile, a novel index for online wear debris monitoring (ADIDC) was extracted to evaluate the wear evolution of planetary gears. Condition monitoring experiments were conducted on a planetary gearbox. Experimental results show that the diagnostic method combining the MFFRVM model and ADIDC index achieves better accuracy than other methods. This study provides guidance for the wear evolution evaluation of planetary gears with pitting faults and the early fault recognition of planetary gearboxes. [ABSTRACT FROM AUTHOR]

[Display omitted] • Computational modeling-based machine learning can facilitate predictive exploration. • There are some hidden pitfalls in 3D computational modeling-based machine learning. • The pitfalls of modeling and machine learning cannot be avoided only by algorithms. • Two cases taught us how to use machine learning prediction in mature settings. The 3D computational modeling-based machine learning (ML) prediction is an innovative methodology for exploration-targeting. This paper presents our studies on its application in the Fenghuangshan (FHS) and Anqing (AQ) mines, its benefits and pitfalls and the strategies for applying benefits and avoiding pitfalls. The 3D geological models of the FHS and AQ orefields show that the topography and attitudes of the intrusions' contact zones have spatial constraints on orebodies. The 3D variation of resistivity can provide some ambiguous evidences for inferring contact zone and orebodies. The dynamic simulations of the intrusions' cooling processes suggest that the dilatant deformation produced by the coupled mechano-thermo-hydrological (MTH) processes is favor for mineralization. Based on the results of 3D geometric and geodynamic modeling, we conducted the random forest (RF) ML model in the FHS mine and the ML models respectively of artificial neural network (ANN), support vector machine (SVM) and RF in the AQ mine to predict mineral potentials. The RF prediction indicates that there is no significant potential in the FHS mine down to depth of 1400 m. The drills of the FHS Deep Drilling Program (FHSDDP) are all at the locations with low RF prediction probability (PP) of mineralization, which can explain why the FHSDDP had not discovered any orebodies and verifies the reliability of the RF prediction. The ANN, SVM and RF models of AQ mine gave different predictions, although the same data were imputed. The RF prediction indicates that there is no significant potential there down to −1520 m, whilst the SVM prediction shows a few small high potentials there, and ANN prediction shows prominent high potentials there. The drills of the AQ Mine Outer Drilling Program (AQMODP) that failed in ore discovery are all at the locations with low RF PP, but with high ANN PP, suggesting that the RF prediction is more reliable than that of ANN. Such inconsistent predictions of different algorithms and the unsuccessful exploration stories in FHS and AQ mines demonstrate that the 3D computational modeling-based ML technologies are a two edged sword. On the one hand, they can facilitate mineral exploration by characterizing the mineralization system in 3D visual and quantitative prediction of ore potentials. But on the other hand, they have some hidden pitfalls to impede or misguide mineral exploration, such as over extrapolation producing false model, over interpolation creating false big data, overfitting generating false knowledge and over simplification causing false prediction. The right strategies for applying benefits and avoiding pitfalls of 3D computational modeling-based ML prediction are pursuing high quality data, applying a capable ML algorithm, reinforcing field geology-based investigation and ratiocination, and keeping full feedback coupling with exploration processes to ensure correct decision-making and timely updating of data. [ABSTRACT FROM AUTHOR]

Asphalt concrete materials are known to exhibit pressure dependence in response to mechanical loading. However, for conventional dense-graded asphalt mixtures, only weak pressure sensitivity was noted in the relaxation spectrum, time-temperature shift factors, and low-temperature moduli. Given these facts, a triaxial linear viscoelastic characterization framework was developed, which consisted of a convenient experimental protocol for the confined dynamic modulus test and a modeling approach based on the 2S2P1D model. In this framework, the same relaxation spectrum and time-temperature equivalence were applied across all different confining conditions, while the pressure dependence was fully assigned to the equilibrium modulus. The resultant prediction errors in dynamic modulus were in general below or comparable to typical test variability. Numerical implementation of the modeling method in the time domain was accomplished via Prony discretization of the continuous relaxation spectrum, and was demonstrated via application to triaxial relaxation and creep data. The model's satisfactory performance suggested that the confining condition had an insignificant impact on the molecular processes occurring in the asphalt phase during relaxation, owing to the low aggregate mobility and thus minimal asphalt flow as restrained by the dense structure. Limitations of the proposed modeling scheme as well as methods available from the literature were revealed lastly upon asphalt concrete materials with unconventional gap and open gradations. • The test protocol included standard.|E*| test and confined only at the highest temperature • The modeling assumed a single relaxation spectrum and time-temperature equivalence. • Pressure dependence was solely assigned to the equilibrium modulus. • Asphalt molecular relaxation processes were pressure insensitive in the dense structure. • Unconventionally graded mixtures exhibited full-range pressure sensitivity. [ABSTRACT FROM AUTHOR]

Avoiding the appearance of polycrystalline diamond (PCD) rim during the epitaxial lateral outward growth of single-crystal diamond (SCD) by microwave plasma chemical vapor deposition (MPCVD) is still full of difficulties and challenges. Herein, the enlarged SCD without PCD rim was synthesized via different growth modes. The core strategy is the self-formation of off-angles on (001) crystal face by regulating the radicals distribution and reducing the temperature at the seed edge. Therefore, the appearance of the secondary nucleation at the edge regions can be inhibited. In a dual-substrate reactor, the SCD surface displayed a typical terrace flow growth pattern. The growth steps on the SCD surface are directed from the center to the edge which coincides with the distribution of carbon-related radicals and temperature. In addition, a spiral growth mode appeared in the homoepitaxial growth of SCD by a single-substrate reactor. Under a spiral growth mode, the top surface of SCD in an off-axis direction was contributed to form a smooth interface. The SCD surface increased by 88.15% from 3 × 3 mm2 to 4.11 × 4.12 mm2 after 82 h. And the crystalline quality of the CVD epitaxial layer is higher than that of the type Ib seed. On a semi-open holder, single-crystal diamond (SCD) without polycrystalline diamond (PCD) rim has laterally grown under different growth modes by self-forming the off-angles on the top surface. The surface area of the SCD enlarged from 3 mm × 3 mm–4.11 mm × 4.12 mm under a spiral growth mode. Both the top surface and lateral surface display a single-crystal growth pattern. [Display omitted] • The terrace-flow growth mode and spiral growth mode are suitable for expanding the top surface of single-crystal diamond. • The top surface area of SCD has increased to 1.88 times than the original by the spiral growth mode. • On a semi-open holder, the distribution of plasma and temperature can be regulated to eliminate polycrystalline diamond rim. [ABSTRACT FROM AUTHOR]

• Gas lift technique is promising in the natural circulation system with inherent safety needed. • The performance of argon-lift liquid LBE pump is numerically investigated. • The parameters of argon injection flow rate, submergence ratio and diameter of up-riser tube are checked. • The two-phase flow characteristics of argon-liquid LBE with large density ratio are also analyzed. Heavy liquid metals such as sodium and liquid lead-bismuth eutectic (LBE) have excellent heat transfer capability and receive increasing attention as the primary coolant in fast reactors and accelerator driven systems (ADS). In ADS system, coolant system is designed as natural circulation, to simplify the primary system, improve the compactness of reactors and most important of all is to increase the inherent safety of reactor. Because the electromagnetic pump that drives the flow of liquid metal is eliminated in the coolant natural circulation system. In such situation, gas-lift technique named gas-lift pump could be adopted to enhance the coolant natural circulation capacity. The open research on the performance of gas-lift liquid metal pump is much less than that of air- lift water pump. The physical properties of large density ratio of liquid to gas, small kinematic viscosity and high surface tension of liquid metal is believed to have effects on the performance of gas-lift liquid metal pump. The present paper carries out some preliminary numerical simulation work on the two-phase flow characteristics of argon-liquid LBE in the up-riser tube and the performance of gas-lift liquid metal pump. Eulerian-Eulerian two-fluid model is used to describe the two-phase flow. Some interphase momentum transfer models from literature are used to account for the interfacial momentum transfer between liquid and gas phases. SST k-ω model with mixture treatment is used to compute the turbulence parameters of the homogeneous mixing phase in the present study. The influence of such parameters as argon injection superficial velocity, submergence ratio and diameter of up-riser tube on the discharged LBE mass flow rate and pressure drop of gas-lift pump are checked. The results could be helpful for the design of the gas-lift liquid metal pump. [ABSTRACT FROM AUTHOR]

Sr(Li 1/4 Nb 3/4) x Ti (1- x) O 3 (0.000 ≤ x ≤ 0.04) (STLN) ceramics were synthesized via a solid-state reaction under a flowing nitrogen atmosphere. Co-doping with Li+ and Nb5+ considerably enhanced the dielectric properties of SrTiO 3 ceramics. These dielectric properties increased with the co-doping concentration x up to x = 0.012 and decreased for higher x. The STLN ceramic with x = 0.012 exhibited a colossal permittivity of ε r = 17,300 (1 kHz) and an ultralow dielectric loss of tan δ = 0.017 (1 kHz), with excellent frequency (20–106 Hz) and temperature (room temperature to 450 °C) stabilities. Their dielectric relaxation mechanisms and point-defect structures were also investigated. With an excessive increase in x , the formation of point defects is inhibited, resulting in the deterioration of the dielectric properties of the STLN ceramics. Further studies showed that acceptor doping Li+ and N 2 atmosphere sintering provided a large number of oxygen vacancies. These oxygen vacancies contribute to the formation of some defect dipoles and defect-dipole clusters (Ti Ti ′ − V O • • − Ti Ti ′ , Nb TI • − Ti Ti ′) related to oxygen vacancies. These defect dipoles and defect-dipole clusters restrict non-localized electrons, leading to electron-pinning. Consequently, the sample exhibits colossal permittivity and low dielectric loss. In addition, a high grain boundary resistance also contributes to the reduced dielectric loss. [ABSTRACT FROM AUTHOR]

• We investigate the heavy ions irradiation effect on the spin transfer torque film stacks with perpendicular magnetic anisotropy. • The results exhibit that magnetic properties of the synthetic antiferromagnet layer and the ferromagnetic exchange coupling between reference layer and synthetic antiferromagnet layer have changed significantly. • We analysis the irradiation damage by SRIM simulation and give a reasonable explanation for this phenomenon. • Our work demonstrates that perpendicular spin transfer torque MRAM technology itself, the memory element construction, is subject to damage from heavy ions irradiation. We investigate the heavy ions irradiation effect on the spin transfer torque film stacks with perpendicular magnetic anisotropy. Samples are exposed to 175 MeV Cl ion and 235 MeV Ge ion at the fluence of 1x105 ions/cm2 and 1x106 ions/cm2. Measurements of magnetization vs. magnetic field are performed on the film stacks before and after irradiation. The results exhibit that magnetic properties of free layer (CoFeB) in the spin transfer torque film keeps unchanged while magnetic properties of the synthetic antiferromagnet layer (Co/Pt) and the ferromagnetic exchange coupling between reference layer (CoFeB) and synthetic antiferromagnet layer through W layer have changed significantly when the fluence of the two kinds of ions reach 1x106 ions/cm2. We analysis the irradiation damage of the film stacks by SRIM simulation and give a reasonable explanation for this phenomenon. Thus, our work demonstrates that perpendicular spin transfer torque MRAM technology itself, the memory element construction, is subject to damage from heavy ions irradiation. [ABSTRACT FROM AUTHOR]

Three novel 2p-3d-4f complexes [Ln 2 Cu(hfac) 8 (1-Me-3-NIT-Pyz) 2 ]·CH 2 Cl 2 were obtained based on the 1-methyl-3-pyrazole radical as isomorphic trinuclear hetero-spin complexes. DC and AC magnetic studies showed different magnetic behaviors. With the help of spin Hamiltonian calculations and MAGPACK program, it is concluded that there exist ferromagnetic couplings not only between the GdIII ion and the NIT radical but also between the CuII ion and the NIT radical, with J 1 = 4.2(1) and J 2 = 23.6(1) cm−1, respectively. The fitted antiferromagnetic constant (J 3) between radical and radical is −6.7(1) cm−1 in 1. The Tb and Dy complexes show no distinct frequency dependence. [Display omitted] Three hetero-tri-spin complexes, namely [Ln 2 Cu(hfac) 8 (1-Me-3-NIT-Pyz) 2 ]·CH 2 Cl 2 (Ln = Gd (1), Tb (2), Dy (3); hfac = hexafluoroacetylacetone; 1-Me-3-NIT-Pyz = 2-{3-(1-methyl)-pyrazolyl]}-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide), have been successfully obtained through the reaction of Cu(hfac) 2 and the pre-synthesized compounds [Ln(hfac) 3 (1-Me-3-NIT-Pyz)]. These 2p-3d-4f complexes are isomorphic three-nuclear clusters with the structure sequence of [Ln-Rad-Cu-Rad-Ln], in which each 1-Me-3-NIT-Pyz ligand exists as a tridentate bridging ligand by chelating to one Ln(hfac) 3 unit through one NO group and one pyrazole nitrogen atom, the other NO group is coordinated to the Cu(hfac) 2 unit. The static magnetic properties of all the three complexes were measured. For complex 1 , with the help of a spin Hamiltonian calculation and the MAGPACK program, it was concluded that there exist ferromagnetic couplings not only between the GdIII ion and the NIT radical but also between the CuII ion and the NIT radical, with J 1 = 4.2(1) and J 2 = 23.6(1) cm−1, respectively. The fitted antiferromagnetic constant (J 3) between radical and radical is −6.7(1) cm−1. The dynamic magnetic results indicate that the Tb and Dy complexes show no distinct out-of-phase signals. [ABSTRACT FROM AUTHOR]

Detonation performance is fundamental to the power evaluation of high explosives (HEs). This paper assesses the detonation performance (including detonation velocity D , detonation pressure P , detonation heat Q , specific kinetic energy E k , detonation products, working capacity, etc.) of HEs by an optimized method. Firstly, "exp-six" intermolecular potential function was used to optimize the theoretical VLW (Virial-Wu) EOS (equation of state), which exhibits a good precision in calculations of detonation performance. Then, the detonation performance of three new HEs (LLM-105, FOX-7, and TKX-50) was calculated and compared with traditional HEs (TATB, HMX, and CL-20). The results indicate that, for D and P , LLM-105, FOX-7, and TKX-50 are superior to TATB, but inferior to HMX and CL-20 except for D of TKX-50. The descending order for Q and E k is CL-20, HMX, TKX-50, FOX-7, LLM-105, and TATB. By analyzing detonation product components, more gaseous products with a higher proportion of heavy and medium molecules favor better detonation performance. Finally, the JWL (Jones-Wilkins-Lee) EOS was fitted by theoretically acquired isentropic expansion process of detonation products and cylinder test was simulated by the hydrodynamic program LS-DYNA. An increasing sequence of working capacity is TATB, LLM-105, FOX-7, TKX-50, HMX and CL-20. [ABSTRACT FROM AUTHOR]

Two novel benzodithieno [3,2-b]thiophene-cored hole-transporting materials (HTMs), DT m BDT-TPA and DT m BDT-OMeTPA were synthesized and their thermal, photophysical, and electrochemical characteristics were systematically investigated. The devices based on DT m BDT-TPA and DT m BDT-OMeTPA exhibited power conversion efficiencies of 16.62% and 18.22%, respectively. The S atoms in thiophene moieties were involved in the passivation interaction with perovskite; accordingly, the long-term stabilities of both DT m BDT-based perovskite solar cells (PSCs) were superior to that of the 2,2′,7,7′-tetrakis (N,N-di-p-methoxyphenylamine)-9,9′-spirobifluorene (spiro-OMeTAD)-based PSC. After 1440 h storage, the unencapsulated DT m BDT-TPA- and DT m BDT-OMeTPA-based PSCs retained over 81% and 90% of their initial efficiencies, respectively; whereas, the spiro-OMeTAD device lost approximately 50% of its original efficiency. These results show that DT m BDT-based compounds are promising HTMs for constructing high-stability PSCs. [Display omitted] • Two novel benzodithieno [3,2-b]thiophene-cored hole transporting materials (HTMs) are synthesized. • The sulfur rich HTMs are favoring for passivation interaction with perovskite. • Perovskite solar cells show a PCE of 18.22%, together with higher stability than Spiro-OMeTAD-based one. [ABSTRACT FROM AUTHOR]