bluuebunny/crossref_metadata_2025 huggingface dataset:
A Study on the Design Depth of Permeable Road Pavement through Dynamic Load Experiment
Authors: Hsing Chun-Hua , Siao Jun-Han , Wang Yu-Min
Published: June 2022

This study investigated vertical strain and stress through a dynamic load experiment at the testing area of Ke-Da Road, Pingtung, Taiwan. A thirty-five-ton truck was moved at constant speeds of 40, 60, and 80 km/h to simulate heavy load conditions to study the mechanical variations. From the results, it was found that the strain and stress curves of the permeable road pavement showed asymmetry due to the viscoelastic property of the open-grade friction course. The results showed that vertical strains and vertical stresses of permeable road pavement were greatly affected by the axle configuration and the change in traffic speed. Furthermore, to propose the design thickness of a permeable road pavement, the pavement strain and stress were modelled with respect to depth using regression based on these collected data. According to the stress regression models and considering the construction uncertainty, the recommend design depth of a permeable pavement is 30 cm. The findings of this study would be helpful in determining the permeable road pavement depth when subjected to heavy traffic load, and the material combination of open-graded friction concrete, porous asphalt concrete, and permeable cement concrete was proposed in this study during the design period.
A Multiphysics Model for Predicting Microstructure Changes and Microhardness of Machined AerMet100 Steel
Authors: Zhang Wenqian , Chen Xupeng , Yang Chongwen , Wang Xuelin , Zhang Yansong , Li Yongchun , Xue Huan , Zheng Zhong
Published: June 2022

The machined-surface integrity plays a critical role in corrosion resistance and fatigue properties of ultra-high-strength steels. This work develops a multiphysics model for predicting the microstructure changes and microhardness of machined AerMet100 steel. The variations of stress, strain and temperature of the machined workpiece are evaluated by constructing a finite-element model of the orthogonal cutting process. Based on the multiphysics fields, the analytical models of phase transformation and dislocation density evolution are built up. The white layer is modeled according to the phase-transformation mechanism and the effects of stress and plastic strain on real phase-transformation temperature are taken into consideration. The microhardness changes are predicted by a model that accounts for both dislocation density and phase-transformation evolution processes. Experimental tests are carried out for model validation. The predicted results of cutting force, white-layer thickness and microhardness are in good agreement with the measured data. Additionally, from the proposed model, the correlation between the machined-surface characteristics and processing parameters is established.
Preparation and Microstructure of Alkali-Activated Rice Husk Ash-Granulated Blast Furnace Slag Tailing Composite Cemented Paste Backfill
Authors: Zhao Wenhua , Ji Ceyao , Sun Qi , Gu Qi
Published: June 2022

At present, the research on rice hull ash and cement-based materials as cementitious materials continues to deepen. Low-cost rice hull ash replaces part of Portland cement, which plays a dual role in saving material costs and improving environmental benefits. In this study, alkali-activated rice husk ash (RHA) and ground granulated blast furnace slag (GGBS) were used to prepare cementitious material. The influence of RHA dosage on the strength, slump degree, and coagulation time of cementitious material was studied. On this basis, tailing was used as an aggregate based on the orthogonal design method and the bone–gel ratio, modulus, and alkali content were taken as variable factors, with strength and slump degree taken as the targets. A new cemented paste backfill (CPB) was prepared and mix ratio optimization was carried out. The strength formation mechanism of cementitious material and CPB was explored by combining scanning electron microscopy (SEM), energy dispersive spectrometry (EDS) and X-ray diffraction (XRD). The results of this study show that with the increase in RHA mixing, the unconfined compressive strength (UCS) of the gelling material purification slurry showed a tendency first to increase and then decrease. When the amount of RHA was about 10%, the internal structure became denser, more C-S-H gel was generated, and greater strength could be obtained. The specific surface area of RHA is high, and a small amount of RHA can fill the internal pores, making the internal structure of concrete more dense. The active silica content in RHA is relatively high. The addition of RHA can appropriately improve the strength of the material, which is of certain significance to our material research. Finally, the micro-analysis of RHA-GGBS clean slurry, the analysis of influencing factors of fluidity and strength, and the optimal mix proportion of alkali-activated RHA-GGBS-based backfill are put forward.
Numerical Determination of the Frictional Coefficients of a Fluid Film Journal Bearing Considering the Elastohydrodynamic Lubrication and the Asperity Contact Force
Authors: Hong Gwanghee , Kim Kyobong , Park Youngjun , Jang Gunhee
Published: June 2022

This paper proposes a numerical method to investigate the frictional characteristics of a fluid film journal bearing considering the elastohydrodynamic lubrication and the asperity contact force. We solved the average Reynolds equation by utilizing the FEM to determine the hydrodynamic force developed by the lubricant of the journal bearing. We also used a modified GT model (Greenwood–Tripp model) developed by Greenwood and Tripp to decompose the asperity contact force into normal and tangential directions. Once we applied those forces to a rotor, we solved the equations of motion of a flexible shaft to determine the friction coefficient. We verified the proposed method by comparing the calculated friction coefficient with the measured one of journal bearings conducted by prior researchers. Then, the proposed method was applied to investigate the frictional characteristics of a journal bearing of a scroll compressor on which dynamic loads are applied. This paper can contribute to developing robust rotor systems supported by journal bearings.
Optimization Procedure and Toolchain for Roll Dynamic Geometry
Authors: Tiainen Tuomas , Laine Sampo , Viitala Raine
Published: June 2022

In rolls manufactured from first bent and then welded sheets of steel, the asymmetric distribution of mass due to the weld seam as well as imperfections of the geometry due to the bending may cause the roll cross-section roundness profiles to deform due to centrifugal forces when the roll is accelerated to rotate at its operating speed. This effect is known as the dynamic geometry of the roll. In previous research, it has been shown that it is possible to measure the dynamic geometry in operating speed and compensate for the deformation by grinding a suitable opposite geometry on the roll. This direct approach may work when only little material is removed. Such conditions apply especially for polymer coated rolls, where the dynamic geometry is mostly dependent on the geometry of the much stronger and denser steel body under the roll cover. This paper goes further to investigate the possibilities for compensating the dynamic geometry in cases where the amount of removed material is significant enough to have an effect on the dynamic geometry itself due to altered mass and stiffness. The paper presents a toolchain consisting of a parametric roll CAD model, finite element simulation of the dynamic geometry and a geometry optimization procedure based on minimizing a target function describing roundness errors in cross-sections of the roll. Results of simulation experiments for a case example indicate that the presented optimization procedure can be used to eliminate roundness errors related to dynamic geometry of the roll. Finally, the paper discusses the application of such a toolchain in the manufacturing of rolls.
Real Quadratic-Form-Based Graph Pooling for Graph Neural Networks
Authors: Liu Youfa , Chen Guo
Published: June 2022

Graph neural networks (GNNs) have developed rapidly in recent years because they can work over non-Euclidean data and possess promising prediction power in many real-word applications. The graph classification problem is one of the central problems in graph neural networks, and aims to predict the label of a graph with the help of training graph neural networks over graph-structural datasets. The graph pooling scheme is an important part of graph neural networks for the graph classification objective. Previous works typically focus on using the graph pooling scheme in a linear manner. In this paper, we propose the real quadratic-form-based graph pooling framework for graph neural networks in graph classification. The quadratic form can capture a pairwise relationship, which brings a stronger expressive power than existing linear forms. Experiments on benchmarks verify the effectiveness of the proposed graph pooling scheme based on the quadratic form in graph classification tasks.
Local Lagrange Exponential Stability Analysis of Quaternion-Valued Neural Networks with Time Delays
Authors: Dong Wenjun , Huang Yujiao , Chen Tingan , Fan Xinggang , Long Haixia
Published: June 2022

This study on the local stability of quaternion-valued neural networks is of great significance to the application of associative memory and pattern recognition. In the research, we study local Lagrange exponential stability of quaternion-valued neural networks with time delays. By separating the quaternion-valued neural networks into a real part and three imaginary parts, separating the quaternion field into 34n subregions, and using the intermediate value theorem, sufficient conditions are proposed to ensure quaternion-valued neural networks have 34n equilibrium points. According to the Halanay inequality, the conditions for the existence of 24n local Lagrange exponentially stable equilibria of quaternion-valued neural networks are established. The obtained stability results improve and extend the existing ones. Under the same conditions, quaternion-valued neural networks have more stable equilibrium points than complex-valued neural networks and real-valued neural networks. The validity of the theoretical results were verified by an example.
Hybrid LSTM-ARMA Demand-Forecasting Model Based on Error Compensation for Integrated Circuit Tray Manufacturing
Authors: Wang Chien-Chih , Chang Hsin-Tzu , Chien Chun-Hua
Published: June 2022

Demand forecasting plays a crucial role in a company’s operating costs. Excessive inventory can increase costs and unnecessary waste can be reduced if managers plan for uncertain future demand and determine the most favorable decisions. Managers are demanding increasing accuracy in forecasting as technology advances. Most of the literature discusses forecasting results’ inaccuracy by suspending the model and reloading the data for model retraining and correction, which is extensively employed but causes a bottleneck in practice since users do not have the sufficient ability to correct the model. This study proposes an error compensation mechanism and uses the individuals and moving-range (I-MR) control chart to evaluate the requirement for compensation to solve the current bottleneck using forecasting models. The approach is validated using the case companies’ historical data, and the model is developed using a rolling long short-term memory (LSTM) to output the predicted values; then, five indicators are proposed for screening to determine the prediction statistics to be subsequently employed. Root mean squared error (RMSE), mean absolute percentage error (MAPE), and mean absolute error (MAE) compare the LSTM, rolling LSTM combined index, and LSTM-autoregressive moving average (ARMA) models. The results demonstrate that the RMSE, MAPE, and MAE of LSTM-ARMA are smaller than those of the other two models, indicating that the error compensation mechanism that is proposed in this study can enhance the prediction’s accuracy.
Likelihood Inference for Copula Models Based on Left-Truncated and Competing Risks Data from Field Studies
Authors: Michimae Hirofumi , Emura Takeshi
Published: June 2022

Survival and reliability analyses deal with incomplete failure time data, such as censored and truncated data. Recently, the classical left-truncation scheme was generalized to analyze “field data”, defined as samples collected within a fixed period. However, existing competing risks models dealing with left-truncated field data are not flexible enough. We propose copula-based competing risks models for latent failure times, permitting a flexible parametric form. We formulate maximum likelihood estimation methods under the Weibull, lognormal, and gamma distributions for the latent failure times. We conduct simulations to check the performance of the proposed methods. We finally give a real data example. We provide the R code to reproduce the simulations and data analysis results.
Learning Motion Primitives Automata for Autonomous Driving Applications
Authors: Pedrosa Matheus V. A. , Schneider Tristan , Flaßkamp Kathrin
Published: June 2022

Motion planning methods often rely on libraries of primitives. The selection of primitives is then crucial for assuring feasible solutions and good performance within the motion planner. In the literature, the library is usually designed by either learning from demonstration, relying entirely on data, or by model-based approaches, with the advantage of exploiting the dynamical system’s property, e.g., symmetries. In this work, we propose a method combining data with a dynamical model to optimally select primitives. The library is designed based on primitives with highest occurrences within the data set, while Lie group symmetries from a model are analysed in the available data to allow for structure-exploiting primitives. We illustrate our technique in an autonomous driving application. Primitives are identified based on data from human driving, with the freedom to build libraries of different sizes as a parameter of choice. We also compare the extracted library with a custom selection of primitives regarding the performance of obtained solutions for a street layout based on a real-world scenario.
Construction of PPSU-MoS2/PA-MIL-101(Cr) Membrane with Highly Enhanced Permeance and Stability for Organic Solvent Nanofiltration
Authors: Liu Qin , Wu Xing , Xie Zongli , Zhang Kaisong
Published: June 2022

Membranes with excellent separation performance and stability are needed for organic solvent nanofiltration in industrial separation and purification processes. Here we reported a newly PPSU-MoS2/PA-MIL-101(Cr) composite membrane with high permeance, good selectivity and stability. The MIL-101(Cr) was introduced in the polyamide (PA) layer via the PIP/TMC interfacial polymerization process on a microporous PPSU-MoS2 substrate. At a small doping amount of 0.005 wt% MIL-101(Cr), the PPSU-MoS2/PA-MIL-101(Cr) composite membrane exhibited a high methanol permeance of 12.03 L m−2 h−1 bar−1, twice higher than that of the pristine membrane without sacrificing selectivity. Furthermore, embedding MIL-101(Cr) notably enhanced the stability of the composite membrane, with permeance only decreasing by 8% after a long time operation of 80 h (pristine membrane decreased by 25%). This work demonstrated a composite membrane modified by MIL-101(Cr) with superior separation performance, which provides potential application of MOF materials for high-performance membranes in organic solvent nanofiltration and a theoretical foundation for future research in studying MOF’s influence on membrane properties.
Multiscale Dynamics of Lipid Vesicles in Polymeric Microenvironment
Authors: Karaz Selcan , Han Mertcan , Akay Gizem , Onal Asim , Nizamoglu Sedat , Kizilel Seda , Senses Erkan
Published: June 2022

Understanding dynamic and complex interaction of biological membranes with extracellular matrices plays a crucial role in controlling a variety of cell behavior and functions, from cell adhesion and growth to signaling and differentiation. Tremendous interest in tissue engineering has made it possible to design polymeric scaffolds mimicking the topology and mechanical properties of the native extracellular microenvironment; however, a fundamental question remains unanswered: that is, how the viscoelastic extracellular environment modifies the hierarchical dynamics of lipid membranes. In this work, we used aqueous solutions of poly(ethylene glycol) (PEG) with different molecular weights to mimic the viscous medium of cells and nearly monodisperse unilamellar DMPC/DMPG liposomes as a membrane model. Using small-angle X-ray scattering (SAXS), dynamic light scattering, temperature-modulated differential scanning calorimetry, bulk rheology, and fluorescence lifetime spectroscopy, we investigated the structural phase map and multiscale dynamics of the liposome–polymer mixtures. The results suggest an unprecedented dynamic coupling between polymer chains and phospholipid bilayers at different length/time scales. The microviscosity of the lipid bilayers is directly influenced by the relaxation of the whole chain, resulting in accelerated dynamics of lipids within the bilayers in the case of short chains compared to the polymer-free liposome case. At the macroscopic level, the gel-to-fluid transition of the bilayers results in a remarkable thermal-stiffening behavior of polymer–liposome solutions that can be modified by the concentration of the liposomes and the polymer chain length.
Sodium Borohydride Treatment to Prepare Manganese Oxides with Oxygen Vacancy Defects for Efficient Oxygen Reduction
Authors: Sun Shuo , Yu Haoran , Li Lanlan , Yu Xiaofei , Zhang Xinghua , Lu Zunming , Yang Xiaojing
Published: June 2022

Manganese oxides are often used as catalysts for oxygen reduction reactions due to their low price and high stability, and they have been extensively studied. However, the poor electrical conductivity and low intrinsic activity of manganese oxides restrict its application in oxygen reduction. In this paper, the manganese oxide octahedral molecular sieve is used as the research object, and the oxygen reduction performance of the material is adjusted by the surface reduction etching treatment of sodium borohydride. After being treated with 8 mmol/L sodium borohydride, the oxygen vacancy content of the manganese oxide octahedral molecular sieve was 26%. The manganese oxide octahedral molecular sieve showed the best performance, and its half-wave potential was 0.821 V. Tests show that the material has excellent electrical conductivity and high oxygen reduction kinetics. The generation of appropriate oxygen vacancies on the surface directly improves the chemical properties of the material surface, regulates the ratio of Mn3+/Mn4+ on the surface of the nanorod, and increases the oxygen reduction adsorption sites on the surface of the material. On the other hand, the electrical conductivity of the material is adjusted to increase the electron transfer rate during the oxygen reduction process, thereby enhancing the oxygen reduction activity.
Design, Characterisation and Numerical Investigations of Additively Manufactured H10 Hybrid-Forging Dies with Conformal Cooling Channels
Authors: Behrens Bernd-Arno , Huskic Aziz , Rosenbusch Daniel , Peddinghaus Julius , Wester Hendrik , Siegmund Martin , Giedenbacher Jochen , Siring Janina
Published: June 2022

Internal die cooling during forging can reduce thermal loads, counteracting surface softening, plastic deformation and abrasive die wear. Additive manufacturing has great potential for producing complex geometries of the internal cooling channels. In this study, hybrid forging dies were developed combining conventional manufacturing processes and laser powder bed fusion (L-PBF) achieving conformal cooling channels. A characterisation of the used hot-work tool steel’s AISI H10 powder material was carried out in order to determine suitable parameters for L-PBF processing and heat treatment parameters. Additionally, the mechanical properties of L-PBF-processed AISI H10 specimens were investigated. Furthermore, the influence of different internal cooling channels regarding a possible structural weakening of the die were analysed by means of a finite element method (FEM) applied to a hot-forging process. The numerical results indicated that the developed forging dies withstood the mechanical loads during a forging process. However, during the investigation a large dependency between the resulting stresses and the chosen parameters were observed. By choosing the best combination of parameters, a reduction of the equivalent stress by 1000 MPa can be achieved. Finally, a prototype of the hybrid-forging dies featuring the most promising cooling channel geometry was manufactured.
Evaluation of Microstructure and Mechanical Properties of a Ti10Mo8Nb Alloy for Biomedical Applications
Authors: Capellato Patricia , Vilela Filipe Bueno , Fontenele Andres Henrique Palomo , Silva Gilbert , da Silva Kerolene Barboza , Carobolante João Pedro Aquiles , Bejarano Edwin Gilberto Medina , de Lourdes Noronha Motta Melo Mirian , Claro Ana Paula Rosifini Alves , Sachs Daniela
Published: June 2022

The growth of the elderly population is urging for more suitable biomaterials to allow the performance of better surgical and implant procedures and accelerate the patient’s healing because the elderly are more vulnerable to orthopedic and dental problems. β-phase Ti alloys can improve the mechanical properties of implants by reducing their elastic modulus and, consequently, the effects of stress shielding within bones. Therefore, the objective of this article is to study a novel ternary β-phase alloy of Ti10Mo8Nb produced by an electric arc furnace and rotary forge. The microstructure and mechanical properties of the Ti10Mo8Nb alloy were investigated in order to evaluate its suitability for biomedical applications and compare its characteristics with those present in Ti-alloys commerced or widely researched for prosthetic purposes. A tensile test, Vickers microhardness test, use of microstructure of optical microscopy for examination of microstructure, X-ray diffraction and hemolysis analysis were carried out. Thus, the Ti10Mo8Nb alloy showed suitable properties for biomedical applications, as well as having the potential to reduce the possibility to occur stress shielding after prosthetic implantations, especially for orthopedics and dentistry.
The Thickness and Structure of Dip-Coated Polymer Films in the Liquid and Solid States
Authors: Zhang Zhao , Peng Fei , Kornev Konstantin
Published: June 2022

Films formed by dip coating brass wires with dilute and semi-dilute solutions of polyvinyl butyral in benzyl alcohol were studied in their liquid and solid states. While dilute and semi-dilute solutions behaved as Maxwell viscoelastic fluids, the thickness of the liquid films followed the Landau-Levich-Derjaguin prediction for Newtonian fluids. At a very slow rate of coating, the film thickness was difficult to evaluate. Therefore, the dynamic contact angle was studied in detail. We discovered that polymer additives preserve the advancing contact angle at its static value while the receding contact angle follows the Cox–Voinov theory. In contrast, the thickness of solid films does not correlate with the Landau-Levich-Derjaguin predictions. Only solutions of high-molecular-weight polymers form smooth solid films. Solutions of low-molecular-weight polymers may form either solid films with an inhomogeneous roughness or solid polymer domains separated by the dry substrate. In technological applications, very dilute polymer solutions of high-molecular-weight polymers can be used to avoid inhomogeneities in solid films. These solutions form smooth solid films, and the film thickness can be controlled by the experimental coating conditions.
Immunosuppressive Mechanisms in Brucellosis in Light of Chronic Bacterial Diseases
Authors: Pellegrini Joaquin Miguel , Gorvel Jean-Pierre , Mémet Sylvie
Published: June 2022

Brucellosis is considered one of the major zoonoses worldwide, constituting a critical livestock and human health concern with a huge socio-economic burden. Brucella genus, its etiologic agent, is composed of intracellular bacteria that have evolved a prodigious ability to elude and shape host immunity to establish chronic infection. Brucella’s intracellular lifestyle and pathogen-associated molecular patterns, such as its specific lipopolysaccharide (LPS), are key factors for hiding and hampering recognition by the immune system. Here, we will review the current knowledge of evading and immunosuppressive mechanisms elicited by Brucella species to persist stealthily in their hosts, such as those triggered by their LPS and cyclic β-1,2-d-glucan or involved in neutrophil and monocyte avoidance, antigen presentation impairment, the modulation of T cell responses and immunometabolism. Attractive strategies exploited by other successful chronic pathogenic bacteria, including Mycobacteria, Salmonella, and Chlamydia, will be also discussed, with a special emphasis on the mechanisms operating in brucellosis, such as granuloma formation, pyroptosis, and manipulation of type I and III IFNs, B cells, innate lymphoid cells, and host lipids. A better understanding of these stratagems is essential to fighting bacterial chronic infections and designing innovative treatments and vaccines.
Transmembrane Protein LMxysn_1693 of Serovar 4h Listeria monocytogenes Is Associated with Bile Salt Resistance and Intestinal Colonization
Authors: Jin Fanxin , Feng Youwei , Chen Chao , Yao Hao , Zhang Renling , Zhang Qin , Meng Fanzeng , Chen Xiang , Jiao Xin’an , Yin Yuelan
Published: June 2022

Listeria monocytogenes (Lm) is a ubiquitous foodborne pathogen comprising of 14 serotypes, of which serovar 4h isolates belonging to hybrid sub-lineage Ⅱ exhibit hypervirulent features. LMxysn_1693 of serovar 4h Lm XYSN, a member of genomic island-7 (GI-7), is predicted to a membrane protein with unknown function, which is conserved in serovar 4h Listeria monocytogenes. Under bile salts stress, Lm XYSN strain lacking LMxysn_1693 (XYSN∆1693) exhibited a stationary phase growth defect as well as a reduction in biofilm formation and strikingly down-regulated bile-salts-resistant genes and virulent genes. Particularly, LMxysn_1693 protein plays a crucial role in Lm XYSN adhesion and invasion to intestinal epithelial cells, as well as colonization in the ileum of mice. Taken together, these findings indicate that the LMxysn_1693 gene encodes a component of the putative ABC transporter system, synthetically interacts with genes involved in bile resistance, biofilm formation and virulence, and thus contributes to Listeria monocytogenes survival within and outside the host.
Mineral Chemistry of Pyrochlore Supergroup Minerals from the Boziguoer Nb-Ta-Zr-Rb-REE Deposit, NW China: Implications for Nb Enrichment by Alkaline Magma Differentiation
Authors: Sun Zhenghao , Qin Kezhang , Mao Yajing , Tang Dongmei , Wang Fangyue , Evans Noreen J. , Zhou Qifeng
Published: June 2022

Alkaline rocks are generally enriched in rare metals (e.g., Nb, Ta, and Zr) and rare earth elements (REE), but the key factors controlling Nb-Ta-REE enrichment remain unclear. The Boziguoer Nb (Ta-Zr-Rb-REE) deposit in Southwest Tianshan (northern margin of Tarim Basin) is China’s largest, with reserves of 0.32 Mt Nb2O5 and 0.02 Mt Ta2O5. It is an alkaline felsic complex 4.45 km in length and 0.5–1.3 km in width, composed of alkalic granite and syenite, which can be subdivided into syenite I and syenite II. The main minerals in each lithofacies are the same (albite, K-feldspar, quartz, arfvedsonite and aegirine). The Nb in the deposit is mainly hosted in pyrochlore supergroup minerals, ubiquitous in alkalic granite and syenite of the Boziguoer deposit. The wide variation in cations (Ca, Na, REE, U, Th) in the A-site further classifies the Boziguoer pyrochlore supergroup minerals as fluornatropyrochlore, fluorcalciopyrochlore and fluorkenopyrochlore. All Boziguoer pyrochlore supergroup minerals are Nb-rich and Ta-poor at the B-site and dominated by F at the Y-site. These cation occurrence illustrate a new mechanism of substitution in the Boziguoer pyrochlore supergroup minerals (2Ca2+ +Ti4+ +4Ta5+ = REE3+ +A-V + 5Nb5+, where A-V is the A-site vacancy). This substitution mechanism is different from that in the pyrochlore supergroup minerals from other rocks such as carbonatite and nepheline syenite, which are dominated by the replacement of Ba (Rb, Sr) with Ca+ Na + A-V. In addition, the substitution of REE (mainly La, Ce) for Ca in the Boziguoer pyrochlore supergroup minerals is likely a result of either REE enrichment or a change in the REE partition coefficient during the evolution of the alkaline magma. Both the pyrochlore supergroup minerals and their host rocks display negative large ion lithophile element (LILE; K, Rb, Sr, and Ba) anomalies, positive high-field-strength element (HFSE) anomalies and light rare earth element (LREE) enrichment with negative Eu anomalies. This is consistent with the crystallization of the pyrochlore supergroup minerals from the magma rather than from hydrothermal fluids, suggesting a magmatic origin. These findings indicate that the mechanisms of pyrochlore supergroup minerals crystallization in alkaline magma may be significantly different from those in carbonatite and nepheline syenite, and that magmatic differentiation processes may have played a role in the enrichment of the Boziguoer deposit by Nb.
Source Characteristics of the Carboniferous Ortokarnash Manganese Deposit in the Western Kunlun Mountains
Authors: Zhang Bang-Lu , Lv Zhi-Cheng , Dong Zhi-Guo , Zhang Xin , Yu Xiao-Fei , Li Yong-Sheng , Zhen Shi-Min , Wang Chang-Le
Published: June 2022

The specific source of ancient sedimentary manganese (Mn) deposits is commonly complex. Here we use systematic major and trace element data with strontium (Sr) and neodymium (Nd) isotopic analyses of the Ortokarnash Mn(II) carbonate ores and associated carbonate rocks from the Upper Carboniferous Kalaatehe Formation (ca. 320 Ma) in order to constrain the Mn source. This formation consists of three members: the first member is a volcanic breccia limestone, the second member is a sandy limestone, and the third member is a black marlstone with the Mn(II) carbonate interlayers. Petrographic observations in combination with low Al2O3 (<3.0 wt%) and Hf (<0.40 ppm) contents and the lack of correlations between the Al2O3 and 87Sr/86Sr ratios as well as εNd(t) values demonstrate a negligible influence of terrigenous detrital contamination on both Sr and Nd isotopic compositions of the Mn(II) carbonate ores. The Sr isotopes of Mn(II) carbonate ores are most likely affected by post-depositional alteration, while Nd isotopes remain unaltered. The initial 87Sr/86Sr ratios in the associated carbonate rocks are likely the result of a mixture of the chemical components (i.e., seawater) and the Al-rich components (e.g., volcanoclastic material), while the detrital effects on Nd isotopes are negligible. In addition, both Sr and Nd isotopes in these non-mineralized wall rocks remained unchanged during post-depositional processes. The relatively low Th/Sc ratios and positive εNd(t) values suggest that the aluminosilicate fraction in the calcarenite and sandy limestone was mainly derived from the weathering of a depleted mafic source, representing the riverine input into the seawater. Given that the Mn(II) carbonate ores are characterized by negative εNd(t) values, these suggest that seafloor-vented hydrothermal fluids derived from interaction with the underlying old continental crust mainly contribute to the source of the Mn(II) carbonates.
Hydrodynamic Simulation of the Influence of Injection Flowrate Regulation on In-Situ Leaching Range
Authors: Zhang Chong , Xie Tingting , Tan Kaixuan , Yao Yixuan , Wang Yaan , Li Chunguang , Li Yongmei , Zhang Ying , Wang Hui
Published: June 2022

Reasonable control of the leaching range is one of the critical indicators of the in-situ leaching uranium mining process. However, there is currently no mature control technology. To verify and improve the current control technology of the leaching range in the industry, this work proposes an injection control mode for a small flow around the well-site and establishes a hydrodynamic model of the leaching range under eight different pumping and injection conditions by using the groundwater modeling system (GMS). The model calculation, range prediction, comparative analysis, and on-site SO42− and S isotope verification tests were carried out. Results show that with the change of liquid injection ratio, the area ratios of fixed pumping injection ratio (total pumping flowrate is greater than 0.3% of the total injection flowrate) and model leaching range under four pumping injection equilibrium conditions were 99.10%, 99.99%, 98.30%, and 97.95%, respectively. The farthest migration distance ratios of the leaching solution were 99.37%, 100%, 98.02%, and 97.58%, respectively. It is considered that the operation mode with a fixed pumping injection ratio has no noticeable control effect on the leaching range; selecting a reasonable proportion to regulate the flowrate of injection wells at different positions can effectively reduce the area of the groundwater flow field and realize the effective control of the leaching range. The research results are conducive to saving a lot of evaporation pool construction, land acquisition, human and material resource investment, and environmental policy pressure.
Comprehensive Physical Properties and Exploration Potential of the Permian Igneous Rocks in the Southwestern Sichuan Basin
Authors: Xiang Kui , Yan Liangjun , Wang Zhigang , Lu Yao
Published: June 2022

The Permian igneous rocks in the Sichuan Basin represent a major breakthrough, opening up a new prospect for oil and gas exploration, and igneous reservoirs have become a new field of oil and gas exploration. Gravity-magnetic-electric exploration is an effective means of identifying igneous rocks and helps in reducing the multiplicity of the prediction results. However, the lithology of igneous rocks is quite different, and the exploration theory and evaluation techniques need urgently to be improved. In order to deeply study the response characteristics of the gravity-magnetic-electric and physical properties of the Permian igneous rocks in the Sichuan Basin and their relationships with the reservoir parameters, physical property testing was carried out on outcrop samples of the Permian igneous rocks in southwestern Sichuan. The comprehensive physical properties of the samples with different lithologies, including basalt, tuff, and volcanic breccia, were analyzed and studied. Based on the geological characteristics of the igneous rocks, such as the mineral composition, microstructure, and reservoir properties, a multi-parameter intersection relationship model for the resistivity, polarizability, density, magnetic susceptibility, and their relationships with the reservoir parameters was established, and effective parameters favorable for igneous rock identification and reservoir evaluation were identified. The results of this study provide a physical basis and technical support for non-seismic exploration of igneous oil and gas reservoirs in the Sichuan Basin.
Ecotype Division and Chemical Diversity of Cynomorium songaricum from Different Geographical Regions
Authors: Zhang Xinke , Sun Xiao , Miao Yujing , Zhang Min , Tian Lixia , Yang Jie , Liu Chang , Huang Linfang
Published: June 2022

Cynomorium songaricum is an important endangered plant with significant medicinal and edible values. However, the lack of resources and quality variation have limited the comprehensive developments and sustainable utilization of C. songaricum. Here, we evaluated the chemical and genetic traits of C. songaricum from the highly suitable habitat regions simulated with species distribution models. The PCA and NJ tree analyses displayed intraspecific variation in C. songaricum, which could be divided into two ecotypes: ecotype I and ecotype II. Furthermore, the LC-MS/MS-based metabolomic was used to identify and analyze the metabolites of two ecotypes. The results indicated that a total of 589 compounds were detected, 236 of which were significantly different between the two ecotypes. Specifically, the relative content and the kind of flavonoids were more abundant in ecotype I, which were closely associated with the medicinal activities. In contrast, amino acids and organic acids were more enriched in ecotype II, which may provide better nutritional quality and unique flavor. In summary, our findings demonstrate the ecotype division and chemical diversity of C. songaricum in China from different geographical regions and provide a reference for the development of germplasm and directed plant breeding of endangered medicinal plants.
Novel Iron Oxide Nanoparticles Induce Ferroptosis in a Panel of Cancer Cell Lines
Authors: Fernández-Acosta Roberto , Iriarte-Mesa Claudia , Alvarez-Alminaque Daniel , Hassannia Behrouz , Wiernicki Bartosz , Díaz-García Alicia M. , Vandenabeele Peter , Vanden Berghe Tom , Pardo Andreu Gilberto L.
Published: June 2022

The use of nanomaterials rationally engineered to treat cancer is a burgeoning field that has reported great medical achievements. Iron-based polymeric nano-formulations with precisely tuned physicochemical properties are an expanding and versatile therapeutic strategy for tumor treatment. Recently, a peculiar type of regulated necrosis named ferroptosis has gained increased attention as a target for cancer therapy. Here, we show for the first time that novel iron oxide nanoparticles coated with gallic acid and polyacrylic acid (IONP–GA/PAA) possess intrinsic cytotoxic activity on various cancer cell lines. Indeed, IONP–GA/PAA treatment efficiently induces ferroptosis in glioblastoma, neuroblastoma, and fibrosarcoma cells. IONP–GA/PAA-induced ferroptosis was blocked by the canonical ferroptosis inhibitors, including deferoxamine and ciclopirox olamine (iron chelators), and ferrostatin-1, the lipophilic radical trap. These ferroptosis inhibitors also prevented the lipid hydroperoxide generation promoted by the nanoparticles. Altogether, we report on novel ferroptosis-inducing iron encapsulated nanoparticles with potent anti-cancer properties, which has promising potential for further in vivo validation.
Yeast Strains and Wort Color as Factors Affecting Effects of the Ethanol Fermentation Process
Authors: Paszkot Justyna , Kawa-Rygielska Joanna
Published: June 2022

Dark malts used in the production of brewing wort affect the ethanol fermentation process, the phenolic content, antioxidant capacity and the physiology of yeast cells. An innovative element of this research is the combination of investigating the effect of beer wort color modulated by the use of dark specialty malts on the course and effects of fermentation and the characteristics of post-fermentation yeast biomass of brewer’s strains with different characteristics. Dark and pale beer were obtained. The beers had different ethanol contents (4.51–5.79% v/v), resulting from real (62.29–80.36%) and apparent (75.37–98.26%) attenuation levels. Metabolic and morphological differences were demonstrated in the brewer’s yeast strains used. S. cerevisiae var. diastaticus was distinguished by its ability to ferment dextrin, resulting in the highest ethanol content in beers. The total phenolic content in beer depends on the color of the wort and the yeast strain used (244.48–547.56 mg of gallic acid/L). Dark beers show higher ferric ion reduction ability (FRAP) and antioxidant capacity (ABTS•+) than pale beers fermented with the same yeast strains. Through biomass analysis, differences in yeast cell physiology depending on yeast strain and beer wort color were also revealed.
Identification of Gene Biomarkers for Tigilanol Tiglate Content in Fontainea picrosperma
Authors: Mitu Shahida A , Stewart Praphaporn , Tran Trong D , Reddell Paul W , Cummins Scott F , Ogbourne Steven M.
Published: June 2022

Tigilanol tiglate (EBC-46) is a small-molecule natural product under development for the treatment of cancers in humans and companion animals. The drug is currently produced by purification from the Australian rainforest tree Fontainea picrosperma (Euphorbiaceae). As part of a selective-breeding program to increase EBC-46 yield from F. picrosperma plantations, we investigated potential gene biomarkers associated with biosynthesis of EBC-46. Initially, we identified individual plants that were either high (>0.039%) or low EBC-46 (<0.008%) producers, then assessed their differentially expressed genes within the leaves and roots of these two groups by quantitative RNA sequencing. Compared to low EBC-46 producers, high-EBC-46-producing plants were found to have 145 upregulated genes and 101 downregulated genes in leaves and 53 upregulated genes and 82 downregulated genes in roots. Most of these genes were functionally associated with defence, transport, and biosynthesis. Genes identified as expressed exclusively in either the high or low EBC-46-producing plants were further validated by quantitative PCR, showing that cytochrome P450 94C1 in leaves and early response dehydration 7.1 and 2-alkenal reductase in roots were consistently and significantly upregulated in high-EBC-46 producers. In summary, this study has identified biomarker genes that may be used in the selective breeding of F. picrosperma.
Discovery of Phenylcarbamoylazinane-1,2,4-Triazole Amides Derivatives as the Potential Inhibitors of Aldo-Keto Reductases (AKR1B1 & AKRB10): Potential Lead Molecules for Treatment of Colon Cancer
Authors: Saeed Amna , Ejaz Syeda Abida , Sarfraz Muhammad , Tamam Nissren , Siddique Farhan , Riaz Naheed , Qais Faizan Abul , Chtita Samir , Iqbal Jamshed
Published: June 2022

Both members of the aldo-keto reductases (AKRs) family, AKR1B1 and AKR1B10, are over-expressed in various type of cancer, making them potential targets for inflammation-mediated cancers such as colon, lung, breast, and prostate cancers. This is the first comprehensive study which focused on the identification of phenylcarbamoylazinane-1, 2,4-triazole amides (7a–o) as the inhibitors of aldo-keto reductases (AKR1B1, AKR1B10) via detailed computational analysis. Firstly, the stability and reactivity of compounds were determined by using the Guassian09 programme in which the density functional theory (DFT) calculations were performed by using the B3LYP/SVP level. Among all the derivatives, the 7d, 7e, 7f, 7h, 7j, 7k, and 7m were found chemically reactive. Then the binding interactions of the optimized compounds within the active pocket of the selected targets were carried out by using molecular docking software: AutoDock tools and Molecular operation environment (MOE) software, and during analysis, the Autodock (academic software) results were found to be reproducible, suggesting this software is best over the MOE (commercial software). The results were found in correlation with the DFT results, suggesting 7d as the best inhibitor of AKR1B1 with the energy value of −49.40 kJ/mol and 7f as the best inhibitor of AKR1B10 with the energy value of −52.84 kJ/mol. The other potent compounds also showed comparable binding energies. The best inhibitors of both targets were validated by the molecular dynamics simulation studies where the root mean square value of <2 along with the other physicochemical properties, hydrogen bond interactions, and binding energies were observed. Furthermore, the anticancer potential of the potent compounds was confirmed by cell viability (MTT) assay. The studied compounds fall into the category of drug-like properties and also supported by physicochemical and pharmacological ADMET properties. It can be suggested that the further synthesis of derivatives of 7d and 7f may lead to the potential drug-like molecules for the treatment of colon cancer associated with the aberrant expression of either AKR1B1 or AKR1B10 and other associated malignancies.
Antiproliferative and Antimicrobial Effects of Rosmarinus officinalis L. Loaded Liposomes
Authors: Ielciu Irina , Niculae Mihaela , Pall Emoke , Barbălată Cristina , Tomuţă Ioan , Olah Neli-Kinga , Burtescu Ramona Flavia , Benedec Daniela , Oniga Ilioara , Hanganu Daniela
Published: June 2022

Rosmarinus officinalis L. is a species that is widely known for its culinary and medicinal uses. The purpose of the present study consisted of the evaluation of the antiproliferative and antimicrobial effects of R. officinalis-loaded liposomes (L-R). Characterization of the liposomes was performed by establishing specific parameters. The load of the obtained liposomes was analyzed using an LC-MS method, and antiproliferative assays evaluated the cell viability on a liver adenocarcinoma cell line and on a human hepatic stellate cell line. Antimicrobial assays were performed by agar–well diffusion and by broth microdilution assays. The obtained liposomes showed high encapsulation efficiency, suitable particle size, and good stability. High amounts of caffeic (81.07 ± 0.76), chlorogenic (14.10 ± 0.12), carnosic (20.03 ± 0.16), rosmarinic (39.81 ± 0.35), and ellagic (880.02 ± 0.14) acids were found in their composition, together with other polyphenols. Viability and apoptosis assays showed an intense effect on the cancerous cell line and a totally different pattern on the normal cells, indicating a selective toxicity towards the cancerous ones and an anti-proliferative mechanism. Antimicrobial potential was noticed against all tested bacteria, with a better efficacy towards Gram-positive species. These results further confirm the biological activities of R. officinalis leaf extract, and proposes and characterizes novel delivery systems for their encapsulation, enhancing the biological activities of polyphenols, and overcoming their limitations.
Computational Prediction and Experimental Validation of the Unique Molecular Mode of Action of Scoulerine
Authors: Moshari Mahshad , Wang Qian , Michalak Marek , Klobukowski Mariusz , Tuszynski Jack Adam
Published: June 2022

Scoulerine is a natural compound that is known to bind to tubulin and has anti-mitotic properties demonstrated in various cancer cells. Its molecular mode of action has not been precisely known. In this work, we perform computational prediction and experimental validation of the mode of action of scoulerine. Based on the existing data in the Protein Data Bank (PDB) and using homology modeling, we create human tubulin structures corresponding to both free tubulin dimers and tubulin in a microtubule. We then perform docking of the optimized structure of scoulerine and find the highest affinity binding sites located in both the free tubulin and in a microtubule. We conclude that binding in the vicinity of the colchicine binding site and near the laulimalide binding site are the most likely locations for scoulerine interacting with tubulin. Thermophoresis assays using scoulerine and tubulin in both free and polymerized form confirm these computational predictions. We conclude that scoulerine exhibits a unique property of a dual mode of action with both microtubule stabilization and tubulin polymerization inhibition, both of which have similar affinity values.
Sustainable Protocol for the Synthesis of 2′,3′-Dideoxynucleoside and 2′,3′-Didehydro-2′,3′-dideoxynucleoside Derivatives
Authors: Martín-Nieves Virginia , Sanghvi Yogesh S. , Fernández Susana , Ferrero Miguel
Published: June 2022

An improved protocol for the transformation of ribonucleosides into 2′,3′-dideoxynucleoside and 2′,3′-didehydro-2′,3′-dideoxynucleoside derivatives, including the anti-HIV drugs stavudine (d4T), zalcitabine (ddC) and didanosine (ddI), was established. The process involves radical deoxygenation of xanthate using environmentally friendly and low-cost reagents. Bromoethane or 3-bromopropanenitrile was the alkylating agent of choice to prepare the ribonucleoside 2′,3′-bisxanthates. In the subsequent radical deoxygenation reaction, tris(trimethylsilyl)silane and 1,1′-azobis(cyclohexanecarbonitrile) were used to replace hazardous Bu3SnH and AIBN, respectively. In addition, TBAF was substituted for camphorsulfonic acid in the deprotection step of the 5′-O-silyl ether group, and an enzyme (adenosine deaminase) was used to transform 2′,3′-dideoxyadenosine into 2′,3′-dideoxyinosine (ddI) in excellent yield.