bluuebunny/crossref_metadata_2025 huggingface dataset:
A Dual-Band Eight-Element MIMO Antenna Array for Future Ultrathin Mobile Terminals
Authors: Zhang Chuanba , Chen Zhuoni , Shi Xiaojing , Yang Qichao , Dong Guiting , Wei Xuanhe , Liu Gui
Published: August 2022

An ultrathin dual-band eight-element multiple input–multiple output (MIMO) antenna operating in fifth-generation (5G) 3.4–3.6 GHz and 4.8–5 GHz frequency bands for future ultrathin smartphones is proposed in this paper. The size of a single antenna unit is 9 × 4.2 mm2 (0.105 λ × 0.05 λ, λ equals the free-space wavelength of 3.5 GHz). Eight antenna units are structured symmetrically along with two sideboards. Two decoupling branches (DB1 and DB2) are employed to weaken the mutual coupling between Ant. 1 and Ant. 2 and between Ant. 2 and Ant. 3, respectively. The measured −10 dB impedance bands are 3.38–3.82 GHz and 4.75–5.13 GHz, which can entirely contain the desired bands. Measured isolation larger than 14.5 dB and 15 dB is obtained in the first and second resonant modes, respectively. Remarkable consistency between the simulated and measured results can be achieved. Several indicators, such as the envelope correlation coefficient (ECC), diversity gain (DG), total active reflection coefficient (TARC), and multiplexing efficiency (ME), have been presented to assess the MIMO performance of the designed antenna.
Vision Feedback Control for the Automation of the Pick-and-Place of a Capillary Force Gripper
Authors: Ito Takatoshi , Fukuchi Eri , Tanaka Kenta , Nishiyama Yuki , Watanabe Naoto , Fuchiwaki Ohmi
Published: August 2022

In this paper, we describe a newly developed vision feedback method for improving the placement accuracy and success rate of a single nozzle capillary force gripper. The capillary force gripper was developed for the pick-and-place of mm-sized objects. The gripper picks up an object by contacting the top surface of the object with a droplet formed on its nozzle and places the object by contacting the bottom surface of the object with a droplet previously applied to the place surface. To improve the placement accuracy, we developed a vision feedback system combined with two cameras. First, a side camera was installed to capture images of the object and nozzle from the side. Second, from the captured images, the contour of the pre-applied droplet for placement and the contour of the object picked up by the nozzle were detected. Lastly, from the detected contours, the distance between the top surface of the droplet for object release and the bottom surface of the object was measured to determine the appropriate amount of nozzle descent. Through the experiments, we verified that the size matching effect worked reasonably well; the average placement error minimizes when the size of the cross-section of the objects is closer to that of the nozzle. We attributed this result to the self-alignment effect. We also confirmed that we could control the attitude of the object when we matched the shape of the nozzle to that of the sample. These results support the feasibility of the developed vision feedback system, which uses the capillary force gripper for heterogeneous and complex-shaped micro-objects in flexible electronics, micro-electro-mechanical systems (MEMS), soft robotics, soft matter, and biomedical fields.
Structural Design and Testing of a Micromechanical Resonant Accelerometer
Authors: Liu Heng , Zhang Yu , Wu Jiale
Published: August 2022

Micromechanical resonant accelerometers based on electrostatic stiffness have the advantage of it being possible to adjust their sensitivity by changing the detection voltage. However, there is a high-order nonlinear relationship between the output frequency and the induced acceleration, so it is difficult to obtain the theoretical basis to guide the microstructure design. In this study, the dynamic equation for this type of accelerometer was established under the condition of the stiffness of the folded beams being much less than that of the resonant beams. The sensitivity was obtained first, and then silicon-based microstructures were fabricated, for which metal tube-shell vacuum packaging was adopted. The two static driving capacitances were about 0.88 pF, and the detection capacitances were about 0.38 pF in the experimental test. The sensitivity was 44.5 Hz/g when the detection voltage was 1 V, while it was greater than 300 Hz/g when the detection voltage was 3 V. With an increase in the detection and driving voltages, a coupling phenomenon occurred between the vibration amplitude and frequency of the resonant beam. The double-stage folded beam failed at a high detection voltage larger than 10 V. Through the experiment, a numerical simulation model for the accelerometer was established, providing the basis for a closed-loop control circuit design.
Design of a Cylindrical Compliant Linear Guide with Decoupling Parallelogram Mechanisms
Authors: Liu Tinghao , Hao Guangbo
Published: August 2022

A conventional linear guiding mechanism refers to the slide rail guides composed of multiple assemble parts. These guiding mechanisms suffer from many adverse effects, including lubrication, wear and assembly issues. A novel compliant guiding mechanism is proposed in this paper to address these common problems, and this mechanism transfers or transforms motion, force and energy via the deformation of flexible members. This linear guide is designed in a cylindrical shape, and the centre platform moves along its axis (i.e., the motion direction). The proposed linear guide consists of several in-parallel curved compound double parallelogram mechanisms (CDPMs) connected by the same number of decoupling parallelogram mechanisms. Nonlinear finite element analysis (FEA) is used for stiffness analysis and shows that applying the decoupling mechanisms to the detached linear guide (the in-parallel curved CDPMs only) can dramatically improve the stiffness in undesired movement (bearing) directions while keeping its original stiffness along its axis. The nonlinear FEA can capture the stiffness variation by considering all the structural deformation. The issue of bearing-direction stiffness degradation of the detached linear guide is dealt with by applying decoupling mechanisms. The static experimental test is conducted on a 3D printed prototype and shows that the stiffness in the motion direction is nearly constant (linear). The results obtained from the experimental test show good agreement with those obtained from the nonlinear FEA with a maximum error of 9.76%.
Performance Evaluation of Different Coating Materials in Delamination for Micro-Milling Applications on High-Speed Steel Substrate
Authors: Bhoi Sandeep , Kumar Ashwani , Prasad Arbind , Meena Chandan Swaroop , Sarkar Rudra Bubai , Mahto Bidyanand , Ghosh Aritra
Published: August 2022

The objective of the present work is to carry out analytical and finite element analysis for commonly used coating materials for micro-milling applications on high-speed steel substrate and evaluate the effects of different parameters. Four different coating materials were selected for micro-milling applications: titanium nitride (TiN), diamond-like carbon (DLC), aluminium titanium nitride (AlTiN) and titanium silicon nitride (TiSiN). A 3D finite element model of coating and substrate assembly was developed in Abaqus to find the Hertzian normal stress when subjected to normal load of 4 N, applied with the help of a rigid ball. The radius of the rigid ball was 200 µm. For all the coating materials, the length was 3 mm, the width was 1 mm, and the thickness was 3 µm. For the high-speed steel substrate, the length was 3 mm, the width was 1 mm, and the thickness was 50 µm. Along the length and width, coating and substrate both were divided into 26 equal parts. The deformation behaviour of all the coating materials was considered as linear–elastic and that of the substrate was characterized as elastic–plastic. The maximum normal stress developed in the FEA model was 12,109 MPa. The variation of the FEA result from the analytical result (i.e., 12,435.97 MPa is 2.63%) which is acceptable. This confirms that the FEA model of coating–substrate assembly is acceptable. The results shows that the TiSiN coating shows least plastic equivalent strain in the substrate, which serves the purpose of protecting the substrate from plastic deformation and the TiSiN of 3 micron thickness is the most optimum coating thickness for micro-milling applications.
Climate Change Impacts on the Marine Cycling of Biogenic Sulfur: A Review
Authors: Jackson Rebecca , Gabric Albert
Published: August 2022

A key component of the marine sulfur cycle is the climate-active gas dimethylsulfide (DMS), which is synthesized by a range of organisms from phytoplankton to corals, and accounts for up to 80% of global biogenic sulfur emissions. The DMS cycle starts with the intracellular synthesis of the non-gaseous precursor dimethylsulfoniopropionate (DMSP), which is released to the water column by various food web processes such as zooplankton grazing. This dissolved DMSP pool is rapidly turned over by microbially mediated conversion using two known pathways: demethylation (releasing methanethiol) and cleavage (producing DMS). Some of the formed DMS is ventilated to the atmosphere, where it undergoes rapid oxidation and contributes to the formation of sulfate aerosols, with the potential to affect cloud microphysics, and thus the regional climate. The marine phase cycling of DMS is complex, however, as heterotrophs also contribute to the consumption of the newly formed dissolved DMS. Interestingly, due to microbial consumption and other water column sinks such as photolysis, the amount of DMS that enters the atmosphere is currently thought to be a relatively minor fraction of the total amount cycled through the marine food web—less than 10%. These microbial processes are mediated by water column temperature, but the response of marine microbial assemblages to ocean warming is poorly characterized, although bacterial degradation appears to increase with an increase in temperature. This review will focus on the potential impact of climate change on the key microbially mediated processes in the marine cycling of DMS. It is likely that the impact will vary across different biogeographical regions from polar to tropical. For example, in the rapidly warming polar oceans, microbial communities associated with the DMS cycle will likely change dramatically during the 21st century with the decline in sea ice. At lower latitudes, where corals form an important source of DMS (P), shifts in the microbiome composition have been observed during thermal stress with the potential to alter the DMS cycle.
Constraints on the Genesis of the Shuangwang Gold Deposit in Qinling Orogen, Central China: Evidence from In Situ Trace Element and Sulfur Isotope
Authors: Yang Junjie , Yang Xingke , Li Jianbo , He Hujun , Chao Huixia , Yi Pengfei
Published: August 2022

The Shuangwang gold deposit, with more than 70 tons of Au, is located in the Fengxian-Taibai ore concentration area in the Qinling Orogen of central China, hosted in a Northwest-trending breccia belt. Fragments of the breccia body are cemented by ankerite, albite, quartz, calcite, and pyrite. Four metallogenic stages are identified in mineral paragenesis: quartz-albite, ankerite-pyrite-albite, pyrite-quartz-calcite, and fluorite-anhydrite. Pyrite, as the main gold-bearing mineral, was formed in the syn-ore and post-ore stages, which are analyzed for trace elements. The experimental results show that Au (0.02 to 11.68 ppm), As (198.45 to 5502.86 ppm), Ag (0.00 to 1.56 ppm), Co (0.02 to 1002.75 ppm), Ni (0.15 to 646.30 ppm), Cu (0.00 to 64.76 ppm), Sb (0.00 to 4.67 ppm), Zn (0.23 to 260.59 ppm), Pb (0.00 to 10.42 ppm), Se (0.00 to 386.24 ppm), and Bi (0.00 to 47.72 ppm) are enriched in syn-ore pyrite much more than in post-ore pyrite, especially arsenic. The high arsenic content and rapid crystallization of pyrite may be the main reasons for precipitation of gold. δ34SV-CDT values of pyrite formed in stage II (PyII) vary from 11.1 to 15.2‰ (mean = 12.9‰), while those for pyrite formed in stage III (PyIII) vary from 11.1 to 13.5‰ (mean = 12.0‰). In situ sulfur isotope analysis indicates that sulfur of the Shuangwang deposit comes from the wallrock, mixed with sulfur from magma.
Quantitative Characterization and Controlling Factors of Shallow Shale Reservoir in Taiyang Anticline, Zhaotong Area, China
Authors: Ma Kai , Zhang Bing , Wen Siyu , Lin Xiaoyang , Wang Yan , Yang Kai
Published: August 2022

Pore and its structural characteristics are key parameters affecting shale gas reservoir development. Accurate quantitative characterization of shale pore and its structural characteristics is of great significance for evaluating shale reservoir state. In this study, 15 shallow marine shale samples were collected in Well Y108. X-ray diffraction results indicate that brittle minerals are the most common components in shale. In this paper, various pore types are classified and characterized by scanning electron microscope images. The total porosity of shale measured by the mercury intrusion method is between 3.2% and 6.5%. In addition, a petrophysical model is established to calculate matrix porosity and fracture. The results of this model are consistent with the measured porosity. Three key parameters (VTOC > VBri > VClay) were obtained. The low-pressure N2/CO2 adsorption experiment allows for the analysis of pore volume, specific surface area, and pore size. Finally, it was determined that the primary pore types and primary shale gas reservoir space in shallow marine shale are mesopores and micropores. The impact of shale constituents on pores and their structural properties is also covered in this work. The results indicate that the enrichment of total organic carbon and brittle minerals is conducive to the development of shallow marine shale pore-fracture system. Additionally, there is a positive linear relationship between matrix porosity, pore volume, specific surface area, average pore diameter, and surface porosity.
Revisiting the Common Practice of Sellars and Tegart’s Hyperbolic Sine Constitutive Model
Authors: Solhjoo Soheil
Published: August 2022

The Sellars and Tegart’s hyperbolic sine constitutive model is widely practiced in describing stress–strain curves of metals in hot deformation processes. The acceptance of this phenomenological model is owed to its versatility (working for a wide range of stress values) and simplicity (being only a function of strain, strain rate, and temperature). The common practices of this model are revisited in this work, with a few suggestions to improve its results. Moreover, it is discussed that, with the progress of data-driven models, the main reason for using the Sellars and Tegart’s model should be to identify reliable activation energies, and not the stress–strain curves. Furthermore, a piece of code (Hot Deformation Fitting Tool) has been created to automate the analysis of stress–strain curves with various models.
Comparison of Constituents and Antioxidant Activity of Above-Ground and Underground Parts of Dryopteris crassirhizoma Nakai Based on HS-SPME-GC-MS and UPLC/Q-TOF-MS
Authors: Wang Yanjia , Liu Baodong , Wang Xin , Fan Yawen
Published: August 2022

Dryopteris crassirhizoma Nakai is a Chinese traditional medicinal fern plant for heat-clearing and detoxifying, promoting blood circulation and dissipating blood stasis. Previous researches showed that many factors could influence the components of medicinal plants, and the plant part is one of the main factors. So far, only the underground part of D. crassirhizoma, called “Mianma Guanzhong”, has been widely sold in the market. However, the above-ground part was usually at low utilization, resulting in a waste of medicinal resources. In order to further develop and utilize the medicinal resources of D. crassirhizoma, the constituents, total flavonoid contents and antioxidant activity of the above-ground and underground parts of D. crassirhizoma were tentatively analyzed and compared based on HS-SPME-GC-MS and UPLC/Q-TOF-MS. The results showed that (1) the volatile components were mainly focused in the above-ground part of D. crassirhizoma, including 3-carene, isoledene, ionene, 4-amino-1-naphthol and furfural. (2) Nonvolatile components of the underground part of D. crassirhizoma contained phenolic acid, flavonoids, phloroglucinol and less fatty acid. (3) The common compounds of the above-ground and underground parts of D. crassirhizoma were phenolic acid and flavaspidic acid AB. (4) Antioxidant activity of the underground part was stronger than that of the above-ground part of D. crassirhizoma. In conclusion, both the above-ground and underground parts of D. crassirhizoma are important medicinal resources worthy of further development.
Water as a Link between Membrane and Colloidal Theories for Cells
Authors: Disalvo E. Anibal , Rosa A. Sebastian , Cejas Jimena P. , Frias María de los A.
Published: August 2022

This review is an attempt to incorporate water as a structural and thermodynamic component of biomembranes. With this purpose, the consideration of the membrane interphase as a bidimensional hydrated polar head group solution, coupled to the hydrocarbon region allows for the reconciliation of two theories on cells in dispute today: one considering the membrane as an essential part in terms of compartmentalization, and another in which lipid membranes are not necessary and cells can be treated as a colloidal system. The criterium followed is to describe the membrane state as an open, non-autonomous and responsive system using the approach of Thermodynamic of Irreversible Processes. The concept of an open/non-autonomous membrane system allows for the visualization of the interrelationship between metabolic events and membrane polymorphic changes. Therefore, the Association Induction Hypothesis (AIH) and lipid properties interplay should consider hydration in terms of free energy modulated by water activity and surface (lateral) pressure. Water in restricted regions at the lipid interphase has thermodynamic properties that explain the role of H-bonding networks in the propagation of events between membrane and cytoplasm that appears to be relevant in the context of crowded systems.
UHPLC Enantiomer Resolution for the ɑ/β-Adrenoceptor Antagonist R/S-Carvedilol and Its Major Active Metabolites on Chiralpak IB N-5
Authors: Samir Liza , Hanafi Rasha , El Deeb Sami , Spahn-Langguth Hilde
Published: August 2022

Carvedilol (CAR), a racemic lipophilic aryloxy propanolamine, acts as a selective α1-adrenoreceptor antagonist and a nonselective β-adrenoreceptor antagonist. CAR metabolism mainly produces three active metabolites: desmethyl carvedilol (DMC), 4′-hydroxy carvedilol (4′OHC) and 5′-hydroxy carvedilol (5′OHC). The oxidative S-(-)-metabolites contribute to the β-antagonistic effect, yet not to the α-antagonistic effect to be observed after drug dosage. Therefore, the three β-adrenoceptor blocking metabolites, which are structurally closely related to the parent CAR, are included into the development of a bioanalytical quantitative method for all major active species relevant with respect to adrenoceptor-blockade. Because of the given pharmacological profile, resolution of the enantiomers of carvedilol, of 4′- and 5′-hydroxy carvedilol as well as of DMC, is mandatory. The current study aims to determine the response surface for the enantiomer separation of the parent CAR as well as the major metabolites on a suitable chiral stationary phase. Design of experiment approach (DoE) was utilized in an initial screening phase followed by central-composite design for delimitation of the response surface for resolution of the four enantiomeric pairs in least run time. The impact of chromatographic variables (composition and percentage of organic modifier(s), buffer type, buffer pH, flow rate) on critical peaks resolution and adjusted retention time was evaluated, in order to select the most significant critical quality attributes. On this basis, a robust UHPLC-UV method was developed and optimized for the simultaneous, enantioselective determination of CAR along with its major active metabolites (4′OHC, 5′OHC, and DMC) on Chiralpak IBN-5. The optimized UHPLC-UV method (which includes metoprolol as the internal standard) was validated according to the ICH M10 guidelines for bioanalytical methods and proven to be linear, precise, accurate, and robust. The validated assay was applied to plasma samples from cardiovascular patients treated with rac-CAR (blood randomly drawn at different times after oral CAR intake). In order to provide more insight into the mechanism of the enantiomer separation of CAR and its metabolites on the CSP, docking experiments were performed. Molecular simulation studies suggest the chiral recognition to be mainly due to different binding poses of enantiomers of the same compound.
Transcriptome Analysis of the Anti-Proliferative Effects of Ginsenoside Rh3 on HCT116 Colorectal Cancer Cells
Authors: Teng Siying , Lei Xi , Zhang Xinmin , Shen Dongming , Liu Qiuyi , Sun Yingjie , Wang Yi , Cong Zhongyi
Published: August 2022

The mechanism of ginsenoside Rh3 activity against cancer remains unclear. This study aimed to investigate the underlying mechanism. The effects of Rh3 on the cell proliferation, migration and invasion, and cycle and apoptosis were analyzed using CCK-8 assay, transwell migration assay and flow cytometry, respectively. The RNA transcriptome was sequenced and data were analyzed by R software. Protein expression and protein-protein interactions were determined by Western blotting and co-immunoprecipitation, respectively. The results showed Rh3 inhibited HCT116 cell proliferation, invasion, and migration, arrested cells at G1 phase; and increased apoptosis. Rh3 downregulated 314 genes and upregulated 371 genes. Gene Set Enrichment Analysis (GSEA) using The Kyoto Encyclopedia of Genes Genomics ranked DNA replication first, while GSEA using Gene Ontology ranked the initiation of DNA replication first. Compared with tumor data from The Cancer Genome Atlas (TCGA), most of genes related to DNA replication were oppositely regulated by Rh3. Furthermore, Rh3 down-regulated key protein expression related to DNA replication (Orc6, Cdt1, and Mcm2), but did not affect the loading of Mcm complexes onto ORC complexes nor the phosphorylation at ser139 of Mcm2. Therefore, Rh3 may inhibit colorectal cancer HCT116 cells by downregulation of genes related to DNA replication.
Chitin Isolation and Chitosan Production from House Crickets (Acheta domesticus) by Environmentally Friendly Methods
Authors: Psarianos Marios , Ojha Shikha , Schneider Roland , Schlüter Oliver K.
Published: August 2022

Alternative methods were evaluated for chitin isolation from Acheta domesticus. Chemical demineralization was compared to fermentation with Lactococcus lactis, citric acid treatment, and microwave treatment, leading to a degree of demineralization of 91.1 ± 0.3, 97.3 ± 0.8, 70.5 ± 3.5, and 85.8 ± 1.3%, respectively. Fermentation with Bacillus subtilis, a deep eutectic solvent, and enzymatic digestion were tested for chitin isolation, generating materials with less than half the chitin content when compared to alkaline deproteinization. Chitosan was produced on a large scale by deacetylation of the chitinous material obtained from two selected processes: the chemical treatment and an alternative process combining L. lactis fermentation with bromelain deproteinization. The chemical and alternative processes resulted in similar chitosan content (81.9 and 88.0%), antioxidant activity (59 and 49%), and degree of deacetylation (66.6 and 62.9%), respectively. The chitosan products had comparable physical properties. Therefore, the alternative process is appropriate to replace the chemical process of chitin isolation for industrial applications.
The Relationship between Procyanidin Structure and Their Protective Effect in a Parkinson’s Disease Model
Authors: Chen Juan , Chen Yixuan , Zheng Yangfan , Zhao Jiawen , Yu Huilin , Zhu Jiajin
Published: August 2022

This study evaluated the effect of grape seed-derived monomer, dimeric, and trimeric procyanidins on rat pheochromocytoma cell line (PC12) cells and in a zebrafish Parkinson’s disease (PD) model. PC12 cells were cultured with grape seed-derived procyanidins or deprenyl for 24 h and then exposed to 1.5 mm 1-methyl-4-phenylpyridinium (MPP+) for 24 h. Zebrafish larvae (AB strain) 3 days post-fertilization were incubated with deprenyl or grape seed-derived procyanidins in 400 µM 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) for 4 days. The results showed that the procyanidin dimers procyanidin B1 (B1), procyanidin B2 (B2), procyanidin B3 (B3), procyanidin B4 (B4), procyanidin B1-3-O-gallate (B1-G), procyanidin B2-3-O-gallate (B2-G), and the procyanidin trimer procyanidin C1 (C1) had a protective effect on PC12 cells, decreasing the damaged dopaminergic neurons and motor impairment in zebrafish. In PC12 cells and the zebrafish PD model, procyanidin (B1, B2, B3, B4, B1-G, B2-G, C1) treatment decreased the content of reactive oxygen species (ROS) and malondialdehyde (MDA), increased the activity of antioxidant enzymes glutathione peroxidase (GSH-Px), catalase (CAT), and superoxide dismutase (SOD), and upregulated the expression of nuclear factor-erythroid 2-related factor (Nrf2), NAD(P)H: quinone oxidoreductase 1 (NQO1), and heme oxygenase-1 (HO-1). These results suggest that in PC12 cells and the zebrafish PD model, the neuroprotective effects of the procyanidins were positively correlated with their degree of polymerization.
Nutrients and Main Secondary Metabolites Characterizing Extracts and Essential Oil from Fruits of Ammodaucus leucotrichus Coss. & Dur. (Western Sahara)
Authors: Abdi Bellau Mohamed Lamin , Chiurato Matteo Andrea , Maietti Annalisa , Fantin Giancarlo , Tedeschi Paola , Marchetti Nicola , Tacchini Massimo , Sacchetti Gianni , Guerrini Alessandra
Published: August 2022

The ethnobotany of the Sahrawi people considers various species of plants and crude drugs as food, cooking spices and traditional health remedies. From among these, the fruits of Ammodaucus leucotrichus Coss. & Dur. (Apiaceae), known as Saharan cumin, were chosen for our research. The present paper reports a proximate composition and mineral element analysis of various samples of A. leucotrichus fruits, collected during the balsamic period (full fruiting) from plants grown in Bir Lehlu (Western Sahara) and purchased in a local market (Tindouf). These analyses pointed out interesting nutritional values of the crude drug. Decoction and alcoholic extract, analyzed by HPLC-DAD, evidenced ammolactone-A and R-perillaldehyde as the two main isolated constituents, particularly in the ethanolic extracts (ammolactone-A, market sample: 51.71 ± 0.39 mg/g dry extract; wild sample: 111.60 ± 1.80 mg/g dry extract; R-perillaldehyde, market sample: 145.95 ± 0.35 mg/g dry extract; wild sample: 221.40 ± 0.30 mg/g dry extract). The essential oils, obtained through hydrodistillation, were characterized by GC-MS and evidenced R-perillaldehyde (market sample: 53.21 ± 1.52%; wild sample: 74.01 ± 1.75%) and limonene (market sample: 35.15 ± 1.68%; wild sample: 19.90 ± 1.86%) as the most abundant compounds. The R configuration of perillaldehyde was ascertained and a complete description of the 1H and 13C NMR spectra of ammolactone-A was performed.
Structural Characterization of a Polygonatum cyrtonema Hua Tuber Polysaccharide and Its Contribution to Moisture Retention and Moisture-Proofing of Porous Carbohydrate Material
Authors: Yu Ling , Wang Yipeng , Tang Qingjiu , Zhang Rongrong , Zhang Danyu , Zhu Guangyong
Published: August 2022

Porous carbohydrate materials such as tobacco shreds readily absorb moisture and become damp during processing, storage, and consumption (smoking). Traditional humectants have the ability of moisture retention but moisture-proofing is poor. Polygonatum cyrtonema Hua polysaccharide (PCP 85−1−1) was separated by fractional precipitation and was purified by anion exchange and gel permeation chromatography. The average molecular weight (Mw) of PCP 85−1−1 was 2.88 × 103 Da. The monosaccharide composition implied that PCP 85−1−1 consisted of fucose, glucose, and fructose, and the molar ratio was 22.73:33.63:43.65. When 2% PCP 85−1−1 was added to tobacco shreds, the ability of moisture retention and moisture-proofing were significantly enhanced. The moisture retention index (MRI) and moisture-proofing index (MPI) increased from 1.95 and 1.67 to 2.11 and 2.14, respectively. Additionally, the effects of PCP 85−1−1 on the aroma and taste of tobacco shreds were evaluated by electronic tongue and gas chromatography–mass spectrometry (GC-MS). These results indicated that PCP 85−1−1 had the characteristics of preventing water absorption under high relative humidity and moisturizing under dry conditions. The problem that traditional humectants are poorly moisture-proof was solved. PCP 85−1−1 can be utilized as a natural humectant on porous carbohydrates, which provides a reference for its development and utilization.
All-Atom Molecular Dynamics of Pure Water–Methane Gas Hydrate Systems under Pre-Nucleation Conditions: A Direct Comparison between Experiments and Simulations of Transport Properties for the Tip4p/Ice Water Model
Authors: Guerra André , Mathews Samuel , Marić Milan , Servio Phillip , Rey Alejandro D.
Published: August 2022

(1) Background: New technologies involving gas hydrates under pre-nucleation conditions such as gas separations and storage have become more prominent. This has necessitated the characterization and modeling of the transport properties of such systems. (2) Methodology: This work explored methane hydrate systems under pre-nucleation conditions. All-atom molecular dynamics simulations were used to quantify the performance of the TIP4P/2005 and TIP4P/Ice water models to predict the viscosity, diffusivity, and thermal conductivity using various formulations. (3) Results: Molecular simulation equilibrium was robustly demonstrated using various measures. The Green–Kubo estimation of viscosity outperformed other formulations when combined with TIP4P/Ice, and the same combination outperformed all TIP4P/2005 formulations. The Green–Kubo TIP4P/Ice estimation of viscosity overestimates (by 84% on average) the viscosity of methane hydrate systems under pre-nucleation conditions across all pressures considered (0–5 MPag). The presence of methane was found to increase the average number of hydrogen bonds over time (6.7–7.8%). TIP4P/Ice methane systems were also found to have 16–19% longer hydrogen bond lifetimes over pure water systems. (4) Conclusion: An inherent limitation in the current water force field for its application in the context of transport properties estimations for methane gas hydrate systems. A re-parametrization of the current force field is suggested as a starting point. Until then, this work may serve as a characterization of the deviance in viscosity prediction.
Microwave-Assisted Hydrothermal Rapid Synthesis of Ultralong Hydroxyapatite Nanowires Using Adenosine 5′-Triphosphate
Authors: Zhang Yu , Zhu Ying-Jie , Yu Han-Ping
Published: August 2022

Ultralong hydroxyapatite (HAP) nanowires are promising for various biomedical applications owing to their chemical similarity to the inorganic constituent of bone, high biocompatibility, good flexibility, excellent mechanical properties, etc. However, it is still challenging to control the formation of ultralong HAP nanowires because of the presence of free PO43− ions in the reaction system containing the inorganic phosphate source. In addition, it takes a long period of time (usually tens of hours) for the synthetic process of ultralong HAP nanowires. Herein, for the first time, we have developed an eco-friendly calcium oleate precursor microwave hydrothermal method using biocompatible adenosine 5′-triphosphate (ATP) as a bio-phosphorus source and water as the only solvent for the rapid synthesis of ultralong HAP nanowires. The controllable hydrolysis of ATP can avoid the premature formation of calcium phosphate nuclei and uncontrollable crystal growth. Microwave heating can significantly shorten the synthetic time from tens of hours required by the traditional heating to 1 h, thus achieving high efficiency, energy saving and low cost. The as-prepared ultralong HAP nanowires with high flexibility have lengths of several hundred micrometers and diameters of 10~20 nm, and they usually self-assemble into nanowire bundles along their longitudinal direction. The as-prepared ultralong HAP nanowire/chitosan porous scaffold has excellent bioactivity, good biodegradation and cytocompatibility owing to the bioactive adenosine adsorbed on the surface of ultralong HAP nanowires. It is expected that ultralong HAP nanowires will be promising for various applications in the biomedical fields, such as bone defect repair, skin wound healing, and as a drug nanocarrier.
Construction of Co,N-Coordinated Carbon Dots for Efficient Oxygen Reduction Reaction
Authors: Le Mengying , Hu Bingjie , Wu Meiying , Guo Huazhang , Wang Liang
Published: August 2022

For the sake of the oxygen reduction reaction (ORR) catalytic performance, carbon dots (CDs) doped with metal atoms have accelerated their local electron flow for the past few years. However, the influence of CDs doped with metal atoms on binding sites and formation mechanisms is still uncertain. Herein, Co,N-doped CDs were facilely prepared by the low-temperature polymerization–solvent extraction strategy from EDTA-Co. The influence of Co doping on the catalytic performance of Co-CDs was explored, mainly in the following aspects: first, the pyridinic N atom content of Co-CDs significantly increased from 4.2 to 11.27 at% compared with the CDs, which indicates that the Co element in the precursor is advantageous in forming more pyridinic-N-active sites for boosting the ORR performance. Second, Co-CDs are uniformly distributed on the surface of carbon black (CB) to form Co-CDs@CB by the facile hydrothermal route, which can expose more active sites than the aggregation status. Third, the highest graphite N content of Co-CDs@CB was found, by limiting the current density of the catalyst towards the ORR. Composite nanomaterials formed by Co and CB are also used as air electrodes to manufacture high-performance zinc–air batteries. The battery has good cycle stability and realizes stable charges and discharges under different current densities. The outstanding catalytic activity of Co-CDs@CB is attributed to the Co,N synergistic effect induced by Co doping, which pioneer a new metal doping mechanism for gaining high-performance electrocatalysts.
Rapid Simultaneous Quantification of 1-Formyl-2,2-Dimethylhydrazine and Dimethylurea Isomers in Environmental Samples by Supercritical Fluid Chromatography–Tandem Mass Spectrometry
Authors: Ovchinnikov Denis V. , Vakhrameev Sergey A. , Falev Danil I. , Ul’yanovskii Nikolay V. , Kosyakov Dmitry S.
Published: August 2022

When released to the environment, the rocket fuel unsymmetrical dimethylhydrazine (UDMH) undergoes oxidative transformations, resulting in the formation of an extremely large number of nitrogen-containing transformation products, including isomeric compounds which are difficult to discriminate by common chromatography techniques. In the present work, supercritical fluid chromatography–tandem mass spectrometry (SFC-MS/MS) was proposed for resolving the problem of fast separation and simultaneous quantification of 1-formyl-2,2-dimethylhydrazine (FADMH) as one of the major UDMH transformation products, and its isomers—1,1-dimethylurea (UDMU) and 1,2-dimethylurea (SDMU). 2-Ethylpyridine stationary phase provided baseline separation of analytes in 1.5 min without the distortion of the chromatographic peaks. Optimization of SFC separation and MS/MS detection conditions allowed for the development of rapid, sensitive, and “green” method for the simultaneous determination of FADMH, UDMU, and SDMU in environmental samples with LOQs of 1–10 µg L−1 and linear range covering three orders of magnitude. The method was validated and successfully tested on the real extracts of peaty and sandy soils polluted with rocket fuel and UDMH oxidation products. It was shown that both UDMU and SDMU are formed in noticeable amounts during UDMH oxidation. Despite relatively low toxicity, UDMU can be considered one of the major UDMH transformation products and a potential marker of soil pollution with toxic rocket fuel.
Facile Synthesis of Stable Cerium Dioxide Sols in Nonpolar Solvents
Authors: Baranchikov Alexander E. , Razumov Mikhail I. , Kameneva Svetlana V. , Sozarukova Madina M. , Beshkareva Tatiana S. , Filippova Arina D. , Kozlov Daniil A. , Ivanova Olga S. , Shcherbakov Alexander B. , Ivanov Vladimir K.
Published: August 2022

A method is proposed for the preparation of stable sols of nanocrystalline cerium dioxide in nonpolar solvents, based on surface modification of CeO2 nanoparticles obtained by thermal hydrolysis of concentrated aqueous solutions of ammonium cerium(IV) nitrate with residues of 2-ethylhexanoic and octanoic acids. The synthesis was carried out at temperatures below 100 °C and did not require the use of expensive and toxic reagents. An assessment of the radical-scavenging properties of the obtained sols using the superoxide anion-radical neutralization model revealed that they demonstrate notable antioxidant activity. The results obtained indicate the potential of the nanoscale cerium dioxide sols in nonpolar solvents to be used for creating nanobiomaterials possessing antioxidant properties.
Sophorolipid Suppresses LPS-Induced Inflammation in RAW264.7 Cells through the NF-κB Signaling Pathway
Authors: Xu Ruiqi , Ma Ling , Chen Timson , Wang Jing
Published: August 2022

Objectives: Biosurfactants with anti-inflammatory activity may alleviate skin irritation caused by synthetic surfactants in cleaning products. Sophorolipid (SL) is a promising alternative to synthetic surfactants. However, there are few reports on the anti-inflammatory activity of SL and the underlying mechanism. The purpose of this work is to verify that lipopolysaccharide (LPS)-induced inflammation could be inhibited through targeting the pathway of nuclear factor-κB (NF-κB) in RAW264.7 cells. Methods: The influence of SL on cytokine release was investigated by LPS-induced RAW264.7 cells using ELISA. The quantification of the protein expression of corresponding molecular markers was realized by Western blot analysis. Flow cytometry was employed to determine the levels of Ca2+ and reactive oxygen species (ROS). The relative expression of inducible nitric oxide synthase (INOS) and cyclooxygenase-2 (COX-2) was determined by RT-PCR. An immunofluorescence assay and confocal microscope were used to observe the NF-κB/p65 translocation from the cytoplasm into the nucleus. The likely targets of SL were predicted by molecular docking analysis. Results: SL showed anti-inflammatory activity and reduced the release of inflammatory cytokines including interleukin-6 (IL-6), tumor necrosis factor-α (TNF-α), and nitric oxide (NO). The experimental results show that SL suppressed the Ca2+ and ROS levels influx in the LPS-induced RAW264.7 cells and alleviated the LPS-induced expression of iNOS and COX-2, the LPS-induced translocation of NF-κB (p65) from the cytoplasm into the nucleus, and the expression of phosphorylated proteins such as p65 and IκBα. Furthermore, molecular docking analysis showed that SL may inhibit inflammatory signaling by competing with LPS to bind TLR4/MD-2 through hydrophobic interactions and by inhibiting IKKβ activation through the hydrogen bonding and hydrophobic interactions. Conclusion: This study demonstrated that SL exerted anti-inflammatory activity via the pathway of NF-κB in RAW264.7 cells.
A Strategy for Sample Preparation: Using Egg White Gel to Promote the Determination of Aflatoxin M1 Content in Milk Samples
Authors: Ning Xiao , Wang Lulu , Jin Shaoming , Fu Xuran , Sun Xiulan , Cao Jin
Published: August 2022

The analysis of food samples is a challenging task. The high complexity of food matrices hinders the extraction and detection of analytes from them. Therefore, the correct preparation of food samples is a crucial step for their subsequent analysis, as it achieves the proper isolation and preconcentration of analytes and removes the interfering proportion of the food matrix before instrumental analysis. We aimed to develop a method that not only satisfies the requirement of detecting trace compounds in complex matrices but also achieves a “greener” approach by reducing the use of organic solvents and non-degradable materials to minimize the health hazards posed to the operators as well as pollution to the environment. In this study, we prepared egg white as a concentrated gel and used this material for the biological purification of milk samples. After the milk protein was removed by acidification and salting, the residual amount of aflatoxin M1 in milk samples was quantitatively determined by ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). The results showed that the novel egg white purification method possessed advantages over the immunoaffinity technique used as the reference method in extraction recovery, sensitivity, repeatability, and operability. The limit of detection (LOD) was 0.001 μg/kg. In spiked samples containing 0.01 μg/kg to 2 μg/kg of AFM1, the average recovery was 88.3–94.7%, with a precision of 6.1–11.0%. Improved repeatability was obtained by significantly reducing the operation time and resource requirements compared with the immunoaffinity technique currently used internationally. This study provides a reference for the further improvement of the relevant international standards in place for the detection of aflatoxin M1 in milk.
Terahertz Spectroscopic Analysis of Lactose in Infant Formula: Implications for Detection and Quantification
Authors: Datta Sopanant , Prasertsuk Kiattiwut , Khammata Nuttawat , Rattanawan Patharakorn , Chia Jia Yi , Jintamethasawat Rungroj , Chulapakorn Thawatchart , Limpanuparb Taweetham
Published: August 2022

Lactose plays a significant role in daily lives as a constituent of various food and pharmaceutical products. Yet, lactose intolerance conditions demand low-lactose and lactose-free products in the market. These increasing nutritional claims and labels on food products entail simple and reliable methods of analysis that can be used for meeting quality standards, nutritional claims and legal requirements. In this study, terahertz time–domain spectroscopy (THz-TDS) was employed to analyse α-lactose monohydrate qualitatively and quantitatively in food products. Both absorption spectra and absorption coefficient spectra were investigated for their prediction performance. Regression models for lactose quantification using peak area and height of the absorption peaks 0.53 and 1.37 THz were developed and assessed in infant formula samples. Satisfactory prediction results were achieved in ideal conditions with pure standards, but not in all predictions of infant formula samples. Reasons and further implications are discussed.
Isolation and Characterization of Galloylglucoses Effective against Multidrug-Resistant Strains of Escherichia coli and Klebsiella pneumoniae
Authors: Masota Nelson E. , Ohlsen Knut , Schollmayer Curd , Meinel Lorenz , Holzgrabe Ulrike
Published: August 2022

The search for new antibiotics against multidrug-resistant (MDR), Gram-negative bacteria is crucial with respect to filling the antibiotics development pipeline, which is subject to a critical shortage of novel molecules. Screening of natural products is a promising approach for identifying antimicrobial compounds hosting a higher degree of novelty. Here, we report the isolation and characterization of four galloylglucoses active against different MDR strains of Escherichia coli and Klebsiella pneumoniae. A crude acetone extract was prepared from Paeonia officinalis Linnaeus leaves, and bioautography-guided isolation of active compounds from the extract was performed by liquid–liquid extraction, as well as open column, flash, and preparative chromatographic methods. Isolated active compounds were characterized and elucidated by a combination of spectroscopic and spectrometric techniques. In vitro antimicrobial susceptibility testing was carried out on E. coli and K. pneumoniae using 2 reference strains and 13 strains hosting a wide range of MDR phenotypes. Furthermore, in vivo antibacterial activities were assessed using Galleria mellonella larvae, and compounds 1,2,3,4,6-penta-O-galloyl-β-d-glucose, 3-O-digalloyl-1,2,4,6-tetra-O-galloyl-β-d-glucose, 6-O-digalloyl-1,2,3,4-tetra-O-galloyl-β-d-glucose, and 3,6-bis-O-digalloyl-1,2,4-tri-O-galloyl-β-d-glucose were isolated and characterized. They showed minimum inhibitory concentration (MIC) values in the range of 2–256 µg/mL across tested bacterial strains. These findings have added to the number of known galloylglucoses from P. officinalis and highlight their potential against MDR Gram-negative bacteria.
Synergistic Interaction of Clusters of Iron Oxide Nanoparticles and Reduced Graphene Oxide for High Supercapacitor Performance
Authors: Elsaidy Amir , Majcherkiewicz Julia N. , Puértolas Begoña , Salgueiriño Verónica , Nóvoa Xosé Ramón , Correa-Duarte Miguel A.
Published: August 2022

Supercapacitors have been recognized as one of the more promising energy storage devices, with great potential use in portable electronics and hybrid vehicles. In this study, a composite made of clusters of iron oxide (Fe3O4-γFe2O3) nanoparticles and reduced graphene oxide (rGO) has been developed through a simple one-step solvothermal synthesis method for a high-performance supercapacitor electrode. Electrochemical assessment via cyclic voltammetry, galvanostatic charge–discharge experiments, and electrochemical impedance spectroscopy (EIS) revealed that the Fe3O4-γFe2O3/rGO nanocomposite showed much higher specific capacitance than either rGO or bare clusters of Fe3O4-γFe2O3 nanoparticles. In particular, specific capacitance values of 100 F g−1, 250 F g−1, and 528 F g−1 were obtained for the clusters of iron oxide nanoparticles, rGO, and the hybrid nanostructure, respectively. The enhancement of the electrochemical performance of the composite material may be attributed to the synergistic interaction between the layers of graphene oxide and the clusters of iron oxide nanoparticles. The intimate contact between the two phases eliminates the interface, thus enabling facile electron transport, which is key to attaining high specific capacitance and, consequently, enhanced charge–discharge time. Performance evaluation in consecutive cycles has demonstrated that the composite material retains 110% of its initial capacitance after 3000 cycles, making it a promising candidate for supercapacitors.
Acetone and Toluene Gas Sensing by WO3: Focusing on the Selectivity from First Principle Calculations
Authors: Trioni Mario Italo , Cargnoni Fausto , Americo Stefano , Pargoletti Eleonora , Chiarello Gian Luca , Cappelletti Giuseppe
Published: August 2022

Sensitivity and selectivity are the two major parameters that should be optimized in chemiresistive devices with boosted performances towards Volatile Organic Compounds (VOCs). Notwithstanding a plethora of metal oxides/VOCs combinations that have been investigated so far, a close inspection based on theoretical models to provide guidelines to enhance sensors features has been scarcely explored. In this work, we measured experimentally the sensor response of a WO3 chemiresistor towards gaseous acetone and toluene, observing a two orders of magnitude higher signal for the former. In order to gain insight on the observed selectivity, Density Functional Theory was then adopted to elucidate how acetone and toluene molecules adsorption may perturb the electronic structure of WO3 due to electrostatic interactions with the surface and hybridization with its electronic structure. The results of acetone adsorption suggest the activation of the carbonyl group for reactions, while an overall lower charge redistribution on the surface and the molecule was observed for toluene. This, combined with acetone’s higher binding energy, justifies the difference in the final responses. Notably, the presence of surface oxygen vacancies, characterizing the nanostructure of the oxide, influences the sensing performances.