bluuebunny/crossref_metadata_2025 huggingface dataset:
Enhanced Nitrate Ions Remediation Using Fe0 Nanoparticles from Underground Water: Synthesis, Characterizations, and Performance under Optimizing Conditions
Authors: Abdel-Lateef Hany M. , Khalaf Mai M. , Al-Fengary Alaa El-Dien , Elrouby Mahmoud
Published: July 2022

The presence of nitrates in water in large amounts is one of the most dangerous health issues. The greatest risk posed by nitrates is hemoglobin oxidation, which results in Methemoglobin in the human body, resulting in Methemoglobinemia. There are many ways to eliminate nitrates from underground water. One of the most effective and selective methods is using zero-valent iron (ZVI) nanoparticles. ZVI nanoparticles can be easily synthesized by reducing ferric or ferrous ions using sodium borohydride. The prepared ZVI nanoparticles were examined by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), electron microscopy (TEM), X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) surface area, and zeta potential. We aim to eliminate or reduce the nitrates in water to be at the acceptable range, according to the world health organization (WHO), of 10.0 mg/L. Nitrate concentration in water after and before treatment is measured using the UV scanning method at 220 nm wavelength for the synthetic contaminated water and electrochemical method for the naturally contaminated water. The conditions were optimized for obtaining an efficient removing process. The removal efficiency reaches about 91% at the optimized conditions.
Novel Pathway for the Combustion Synthesis and Consolidation of Boron Carbide
Authors: Zakaryan Marieta K. , Zurnachyan Alina R. , Amirkhanyan Narine H. , Kirakosyan Hasmik V. , Antonov Maksim , Rodriguez Miguel A. , Aydinyan Sofiya V.
Published: July 2022

A novel pathway for the magnesiothermic reduction of boron oxide and magnesium dodecaboride (MgB12) in the presence of carbon by a self-propagating high-temperature synthesis method was proposed that was aimed at the direct preparation of boron carbide nanopowder. The combined utilization of two boron sources, boron oxide and MgB12, allowed tailoring the overall caloric effect of the process, increasing the yield of the target product and lessening the laborious leaching process. In addition, it is an alternative way to utilize magnesium borides, which are inevitable side products at boron production. Multivariate thermodynamic calculations performed in the B2O3-MgB12-Mg-C system allowed estimating equilibrium compositions of the products and deducing the optimum composition of the initial mixture for obtaining B4C. For the latter, the adiabatic temperature (Tad) is 2100 °C, which is theoretically enough for the implementation of the self-propagating reaction. The combustion reaction was shown to be extremely sensitive to the initial mixture composition, external pressure, as well as sample diameter (heat losses). It proceeds in self-oscillatory mode and leads to the product of a layered macrostructure. The combustion product was then consolidated by the spark plasma sintering technique at different conditions. Vickers microhardness was measured, and the wear erosion behavior was examined. The variation in lattice parameters of boron carbide reflected the influence of synthesis, sintering and erosion conditions on the ordering/disordering of the boron carbide structure.
Ball Milling Medium May Tune the Self-Curing Property and Root Canal Microleakage of β-Dicalcium Silicate-Based Cement
Authors: Zheng Youyang , Yang Xianyan , Liu Shuxin , Xu Yuyue , Bao Siqi , Wang Yunyi , Liu Yuhan , Zhang Feng , Gou Zhongru
Published: July 2022

It is still a challenge to overcome the extended setting process of pure Ca-silicate as root canal fillers. We investigated the effects of attapulgite (a basic hydrous silicate of magnesium and aluminum) and ball-milling liquid medium on the self-curing properties of conventional β-dicalcium silicate (C2Si)-based cements. It was shown that a minor amount of attapulgite nanofibers (1–4%) had only a slight influence on setting time but caused a large increase in compressive resistance and structural stability. In particular, the ball milling media with different acetone/water ratios (3:0, 2:1, 1:2, 0:3) could directly influence the particle size distribution of C2Si powders, and the co-existence of liquid media (2:1 or 1:2) may be beneficial for shortening the setting time, enhancing early-stage compressive strength, and significantly improving the anti-microleakage ability of cement. Moreover, the composite cements also exhibited appreciable antibacterial efficacy in vitro. These findings demonstrated that the physicochemical properties of the Ca-silicate powders could be tuned by adding a minor amount of inorganic silicate nanofibers and a simple ball milling condition, and such a facile strategy is favorable for developing novel (pre-mixed) Ca silicate-based cements as root canal sealers.
Color Change after 25% Hydrogen Peroxide Bleaching with Photoactivation: A Methodological Assessment Using Spectrophotometer versus Digital Photographs
Authors: Ugurlu Muhittin , Al-Haj Husain Nadin , Özcan Mutlu
Published: July 2022

This study aimed to evaluate the color change of teeth bleached with light activation using two different objective color measurement approaches after two years of clinical follow-up. A cross-sectional retrospective clinical study according to STROBE was followed including 30 participants. The 25% hydrogen peroxide gel (Philips Zoom) was applied with a supplementary LED light for 15 min in four cycles. Tooth color was assessed based on CIEL*a*b* values using a spectrophotometer (Spectroshade) at different time points (baseline, post bleaching, 1 week, 1 year, and 2 years). Standardized digital photographs were taken at each time point. The L*, a*, and b* values were measured from the digital photographs using Adobe Photoshop software. The color difference (ΔE) was separately calculated using the L*, a*, and b* values obtained with spectrophotometric and photographic analyses at each evaluation time. Data were analyzed with non-parametric tests (p < 0.05). A color regression was detected by both measurement approaches after 1 and 2 years (p < 0.05). Greater ΔE values were acquired with the spectrophotometer compared to the digital photographic analysis (p < 0.05). Although a greater color change was observed with the spectrophotometer, both approaches were able to detect the color rebound using the 25% hydrogen peroxide light-activated in-office system. Digital photographic analysis might therefore be used to assess color change after bleaching.
Adsorption Study of Congo Red Dye from Synthetic Wastewater at Different Concentrations Using Zinc Sulfide Nanoparticles
Authors: Rashad Mohamed , Helali Saloua , Issa Shams , Al-Ghamdi Saleh , Alsharif Marwah , Alzahrani Ahmed Obaid , Sobhi Mohamed , Ene Antoaneta , Abd-Elnaiem Alaa M.
Published: July 2022

Zinc sulfide (ZnS) nanoparticles were fabricated using the chemical precipitation method. The X-ray diffraction (XRD), Raman spectroscopy, and scanning electron microscopy (SEM) techniques were used to investigate the structural parameters of the formed ZnS. The hexagonal crystal structure of the Zn and ZnS phases was formed. The average crystallite size of the ZnS phase is 10.3 nm, which is much smaller than that of the Zn phase (54.5 nm). Several frequencies and phonon modes were detected in the Raman scattering spectrum belonging to the ZnS nanoparticles. The synthesized ZnS nanoparticles were used as catalysts to eliminate the Congo red (CR) dye, with different concentrations, from synthetic wastewater. The impact of the CR dye concentration and shaking period on the adsorption of CR was thoroughly investigated, and various adsorption kinetic models were tested. After 3 h of shaking, the adsorption efficiency reached 26.01% for 40 mg/L CR dye and 27.84% for 20 mg/L CR dye. The adsorption capacities of the CR dye in the presence of ZnS are 16% and 9% for 40 and 20 mg/L, respectively. Based on the correlation factor, the intraparticle diffusion kinetic model was considered the best of the tested models.
Metal-Organic Frameworks for Wastewater Decontamination: Discovering Intellectual Structure and Research Trends
Authors: Naseer Muhammad Nihal , Jaafar Juhana , Junoh Hazlina , Zaidi Asad A. , Kumar Mahesh , Alqahtany Ali , Jamil Rehan , Alyami Saleh H. , Aldossary Naief A.
Published: July 2022

Due to their simple synthesis method and excellent properties, such as superior adsorption and regeneration capabilities, with a large surface area and tunable pores, metal-organic frameworks (MOFs) have emerged as a suitable option for wastewater treatment. Although an exponential growth in MOF literature has been observed in recent years, conducting a quantitative literature analysis of MOF application in wastewater treatment is a novelty. To fill this gap, a total of 1187 relevant publications were extracted from the Web of Science, published during the last 50 years, and analyzed using bibliometric and content analysis techniques. A bibliometric analysis was conducted to reveal growing publication trends, leading journals, prolific countries, and organizations; whereas, a content analysis was used to highlight key research themes and hot topics in this field. The analyses revealed that there is a strong international collaboration among authors, countries, and organizations. Chemical Engineering Journal, Journal of Hazardous Materials, and Journal of Environmental Chemical Engineering are the most prolific journals in this field. Furthermore, the use of MOFs for removing antibiotics from wastewater was identified as a recent hot topic. In addition, performance enhancements of MOFs, in terms of a higher adsorption capacity and water stability, were identified as topics of great interest. To cater to these issues, the application of graphene, graphene oxides, nanoparticles, and quantum dots was also observed in the research fronts in this field.
Usage of Converter Gas as a Substitute Fuel for a Tunnel Furnace in Steelworks
Authors: Musial Dorota , Szwaja Magdalena , Kurtyka Marek , Szwaja Stanislaw
Published: July 2022

Converter gas (BOFG) is a by-product of the steel manufacturing process in steelworks. Its usage as a substitute fuel instead of natural gas for fueling a metallurgical furnace seems to be reasonable due to potential benefits as follows: CO2 emission reduction into the ambient air and savings in purchasing costs of natural gas. Results of theoretical analysis focused on implementing converter gas as a fuel for feeding a tunnel furnace for either steel plate rolling, steel sheet hardening in its real working condition or both, are discussed. The analysis was focused on the combustion chemistry of the converter gas and its potential ecological and economic benefits obtained from converter gas usage to heat up steel in a tunnel furnace. Simulations of combustion were conducted using a skeletal chemical kinetic mechanism by Konnov. The directed relation graph with error propagation aided sensitivity analysis (DRGEPSA) method was used to obtain this skeletal kinetic mechanism. Finally, the model was validated on a real tunnel furnace fueled by natural gas. Regarding exhaust emissions, it was found that nitric oxide (NO) dropped down from 275 to 80 ppm when natural gas was replaced by converter gas. However, carbon dioxide emissions increased more than three times in this case, but there is no possibility of eliminating carbon dioxide from steel manufacturing processes at all. Economic analysis showed savings of 44% in fuel purchase costs when natural gas was replaced by converter gas. Summing up, the potential benefits resulting from substituting natural gas with converter gas led to the conclusion that converter gas is strongly recommended as fuel for a tunnel furnace in the steel manufacturing process. Practical application requires testing gas burners in terms of their efficiency, which should provide the same amount of energy supplied to the furnace when fed with converter gas.
X-ray Thermo-Diffraction Study of the Aluminum-Based Multicomponent Alloy Al58Zn28Si8Mg6
Authors: Bilbao Yoana , Trujillo Juan José , Vicario Iban , Arruebarrena Gurutze , Hurtado Iñaki , Guraya Teresa
Published: July 2022

Newly designed multicomponent light alloys are giving rise to non-conventional microstructures that need to be thoroughly studied before determining their potential applications. In this study, the novel Al58Zn28Si8Mg6 alloy, previously studied with CALPHAD methods, was cast and heat-treated under several conditions. An analysis of the phase evolution was carried out with in situ X-ray diffraction supported by differential scanning calorimetry and electron microscopy. A total of eight phases were identified in the alloy in the temperature range from 30 to 380 °C: α-Al, α’-Al, Zn, Si, Mg2Si, MgZn2, Mg2Zn11, and SrZn13. Several thermal transitions below 360 °C were determined, and the natural precipitation of the Zn phase was confirmed after nine months. The study showed that the thermal history can strongly affect the presence of the MgZn2 and Mg2Zn11 phases. The combination of X-ray thermo-diffraction with CALPHAD methods, differential scanning calorimetry, and electron microscopy offered us a satisfactory understanding of the alloy behavior at different temperatures.
Boosting of Magnetic, Ferroelectric, Energy Storage Efficiency, and Piezoelectric Properties of Zn Intercalated SrBi4Ti4O15-Based Ceramics
Authors: Jabeen Nawishta , Rehman Altaf Ur , Hassan Najam Ul , Qaiser Muhammad Adnan , Zaidi Anum , Khan Muhammad Usman , Khan Imtiaz Ahmad , Nouman Muhammad
Published: July 2022

An appropriate amount of Zn-ions are incorporated into the high Curie temperature bismuth layer-structure ferroelectric material to fabricate Sr0.2Na0.4Pr0.4Bi4Ti4O15:xwt%ZnO; (SNPBT:xZn), with x = 0, 0.10, 0.15, and 0.20 ceramic series to investigate the magnetic, ferroelectric, and energy storage efficiency and piezoelectric properties. Pure SNPBT and SNPBT:xZn ceramics have maintained their structure even after the intercalation of Zn-ions at the lattice sites of SNPBT. The addition of ZnO in SNPBT has improved the multifunctional properties of the material at x = 0.15. At room temperature, SNPBT:0.15Zn has shown a high relative density of 96%, exhibited weak ferromagnetic behavior along with a low saturation magnetization (Ms) of 0.028 emu/g with a low coercive field of 306 Oe, a high remnant polarization (Pr) of 9.04 µC/cm2, a recoverable energy density (Wrec) of ~0.5 J/cm3, an energy conversion efficiency (η) of ~41%, a high piezoelectric co-efficient (d33) of 21 pC/N, and an impedance of 1.98 × 107 Ω, which are much improved as compared to pure SBT or pure SNPBT ceramics. Dielectric Constant (ɛr) versus temperature plots present the sharp peak for SNPBT:0.15Zn ceramic at a Curie temperature (TC) ~ 605 °C, confirming the strong ferroelectric nature of the ceramic. Moreover, SNPBT:0.15Zn ceramic has shown strong, piezoelectric, thermally stable behavior, which remains at 76% (16 pC/N) of its initial value even after annealing at 500 °C. The achieved results clearly indicate that SNPBT:0.15Zn ceramic is a promising candidate for future wide-temperature pulse power applications and high-temperature piezoelectric devices.
Thermodynamic Modeling Study of Carbonation of Portland Cement
Authors: Reddy Kamasani Chiranjeevi , Melaku Nahom S. , Park Solmoi
Published: July 2022

The assessment of the extent of carbonation and related phase changes is important for the evaluation of the durability aspects of concrete. The phase assemblage of Portland cements with different clinker compositions is evaluated using thermodynamic calculations. Four different compositions of cements, as specified by ASTM cements types I to IV, are considered in this study. Calcite, zeolites, and gypsum were identified as carbonation products. CO2 content required for full carbonation had a direct relationship with the initial volume of phases. The CO2 required for portlandite determined the initiation of carbonation of C-S-H. A continual decrease in the pH of pore solution and a decrease in Ca/Si is observed with the carbonation of C-S-H. Type II cement exhibited rapid carbonation at relatively less CO2for full carbonation, while type III required more CO2 to carbonate to the same level as other types of cement. The modeling of carbonation of different Portland cements provided insights into the quantity of CO2 required to destabilize different hydrated products into respective carbonated phases.
A Damage Model of Concrete including Hysteretic Effect under Cyclic Loading
Authors: Liu Zhi , Zhang Li , Zhao Lanhao , Wu Zihan , Guo Bowen
Published: July 2022

A novel damage model for concrete has been developed, which can reflect the complex hysteresis phenomena of concrete under cyclic loading, as well as other nonlinear behaviors such as stress softening, stiffness degradation, and irreversible deformation. The model cleverly transforms the complex multiaxial stress state into a uniaxial state by equivalent strain, with few computational parameters and simple mathematical expression. The uniaxial tensile and compressive stress–strain curves matching the actual characteristics are used to accommodate the high asymmetry of concrete in tension and compression, respectively. Meanwhile, an unloading path and a reloading path that can reflect the hysteresis effect under cyclic loading of concrete are established, in which the adopted expressions for the loading and unloading characteristic points do not depend on the shape of the curve. The proposed model has a concise form that can be easily implemented and also shows strong generality and flexibility. Finally, the reliability and correctness of the model are verified by comparing the numerical results with the three-point bending beam test, cyclic loading test, and a seismic damage simulation of the Koyna gravity dam.
Tenebrio molitor Larvae-Based Magnetic Polyurea Employed as Crude Oil Spill Removal Tool
Authors: Aboelkheir Mostafa , Gomes Fernando , Meiorin Cintia , Galdino Tiago
Published: July 2022

Renewable resources constitute an extremely rich and varied set of molecules and polymers produced by natural biological activities. Within the applications of these polymers, a very important application is the use of these materials as a sorber for oils or oil spills. The advantage of these nanocomposites is the fact that they integrate different component materials and their properties into a single component material. They have several applications, ranging from environmental remediation to the development of advanced medical applications. This work proposed using magnetic polyurea composites based on an animal substrate from Tenebrio molitor larvae to perform oil spill clean-up operations under a magnetic field in the presence of 1% and 3% of magnetite to be tested as magnetic crude oil sorber. The obtained materials were characterized by Fourier transform infrared (FTIR) spectroscopy, X-ray Diffraction (XRD), Thermogravimetric Analysis (TGA), Scanning Differential Calorimetry (DSC), and Low-Field Nuclear Magnetic Resonance (LF-NMR 1H). The sorber material is simple to prepare and inexpensive. The use of magnetite as a magnetic charge allowed for the efficient removal of oil from water with about 28 g of oil per gram of sorber. These results are very promising and encouraging for future environmental recovery studies involving magnetite and sustainable polymers.
Characterizing the Mechanical Behavior of Bone and Bone Surrogates in Compression Using pQCT
Authors: Pallua Johannes D. , Putzer David , Jäger Elias , Degenhart Gerald , Arora Rohit , Schmölz Werner
Published: July 2022

Many axial and appendicular skeleton bones are subjected to repetitive loading during daily activities. Until recently, the structural analysis of fractures has been limited to 2D sections, and the dynamic assessment of fracture progression has not been possible. The structural failure was analyzed using step-wise micro-compression combined with time-lapsed micro-computed tomographic imaging. The structural failure was investigated in four different sample materials (two different bone surrogates, lumbar vertebral bodies from bovine and red deer). The samples were loaded in different force steps based on uniaxial compression tests. The micro-tomography images were used to create three-dimensional models from which various parameters were calculated that provide information about the structure and density of the samples. By superimposing two 3D images and calculating the different surfaces, it was possible to precisely analyze which trabeculae failed in which area and under which load. According to the current state of the art, bone mineral density is usually used as a value for bone quality, but the question can be raised as to whether other values such as trabecular structure, damage accumulation, and bone mineralization can predict structural competence better than bone mineral density alone.
Intrinsic Correlation with Betweenness Centrality and Distribution of Shortest Paths
Authors: Feng Yelai , Wang Huaixi , Chang Chao , Lu Hongyi
Published: July 2022

Betweenness centrality evaluates the importance of nodes and edges in networks and is one of the most pivotal indices in complex network analysis; for example, it is widely used in centrality ordering, failure cascading modeling, and path planning. Existing algorithms are based on single-source shortest paths technology, which cannot show the change of betweenness centrality with the growth of paths, and prevents deep analysis. We propose a novel algorithm that calculates betweenness centrality hierarchically and accelerates computing via GPUs. Based on the novel algorithm, we find that the distribution of shortest path has an intrinsic correlation with betweenness centrality. Furthermore, we find that the betweenness centrality indices of some nodes are 0, but these nodes are not edge nodes, and they characterize critical significance in real networks. Experimental evidence shows that betweenness centrality is closely related to the distribution of the shortest paths.
Fully Degenerating of Daehee Numbers and Polynomials
Authors: Albosaily Sahar , Khan Waseem Ahmad , Araci Serkan , Iqbal Azhar
Published: July 2022

In this paper, we consider fully degenerate Daehee numbers and polynomials by using degenerate logarithm function. We investigate some properties of these numbers and polynomials. We also introduce higher-order multiple fully degenerate Daehee polynomials and numbers which can be represented in terms of Riemann integrals on the interval 0,1. Finally, we derive their summation formulae.
Exploring the Antibiotic Production Potential of Heterotrophic Bacterial Communities Isolated from the Marine Sponges Crateromorpha meyeri, Pseudaxinella reticulata, Farrea similaris, and Caulophacus arcticus through Synergistic Metabolomic and Genomic Analyses
Authors: Tareen Sanaullah , Schupp Peter J. , Iqbal Naveed , Wink Joachim
Published: July 2022

The discovery of novel secondary metabolites is actively being pursued in new ecosystems. Sponge-associated bacteria have been in the limelight in recent years on account of their ability to produce bioactive compounds. In this study, heterotrophic bacteria associated with four sponge species were isolated, taxonomically identified, and subjected to screening for the production of bioactive entities against a panel of nine microorganisms, including Gram-positive and negative bacteria, as well as yeast and fungi. Of the 105 isolated strains, 66% were represented by Proteobacteria, 16% by Bacteriodetes, 7% by Actinobacteria, and 11% by Firmicutes. Bioactivity screening revealed that 40% of the total isolated strains showed antimicrobial activity against one or more of the target microorganisms tested. Further, active extracts from selective species were narrowed down by bioassay-guided fractionation and subsequently identified by HR-ESI-MS analyses to locate the active peaks. Presumably responsible compounds for the observed bioactivities were identified as pentadecenoic acid, oleic acid, and palmitoleic acid. One isolate, Qipengyuania pacifica NZ-96T, based on 16S rRNA novelty, was subjected to comparative metabolic reconstruction analysis with its closest phylogenetic neighbors, revealing 79 unique functional roles in the novel isolate. In addition, genome mining of Qipengyuania pacifica NZ-96T revealed three biosynthetic gene clusters responsible for the biosynthesis of terpene, beta lactone, lasso peptide, and hserlactone secondary metabolites. Our results demonstrate the ability to target the sponge microbiome as a potential source of novel microbial life with biotechnological potential.
Recent Progress and Challenges Regarding Carbon Nanotube On-Chip Interconnects
Authors: Xu Baohui , Chen Rongmei , Zhou Jiuren , Liang Jie
Published: July 2022

Along with deep scaling transistors and complex electronics information exchange networks, very-large-scale-integrated (VLSI) circuits require high performance and ultra-low power consumption. In order to meet the demand of data-abundant workloads and their energy efficiency, improving only the transistor performance would not be sufficient. Super high-speed microprocessors are useless if the capacity of the data lines is not increased accordingly. Meanwhile, traditional on-chip copper interconnects reach their physical limitation of resistivity and reliability and may no longer be able to keep pace with a processor’s data throughput. As one of the potential alternatives, carbon nanotubes (CNTs) have attracted important attention to become the future emerging on-chip interconnects with possible explorations of new development directions. In this paper, we focus on the electrical, thermal, and process compatibility issues of current on-chip interconnects. We review the advantages, recent developments, and dilemmas of CNT-based interconnects from the perspective of different interconnect lengths and through-silicon-via (TSV) applications.
Culturable Screening of Plant Growth-Promoting and Biocontrol Bacteria in the Rhizosphere and Phyllosphere of Wild Rice
Authors: Yao Zongmu , Chen Yalin , Luo Shouyang , Wang Jilin , Zhang Jiafan , Zhang Jianfeng , Tian Chunjie , Tian Lei
Published: July 2022

Wild rice is an important improved resource for cultivated rice and its unique ability to resist biotic and abiotic stress has attracted the attention of many scholars. The microbial community structure in the rhizosphere and leaf area of different rice varieties is also different, which may be one of the reasons for the difference in stress resistance between wild rice and cultivated rice. Forty-six bacteria were screened from the rhizosphere and phyllospheric of four different wild rice varieties. The results of functions of the screened strains showed that 18 strains had a good inhibitory effect on rice blast, and 33 strains had the ability to dissolve phosphorus, potassium, or fix nitrogen. Through potted experiment, the three bacterial strains, 499G2 (Peribacillus simplex), 499G3 (Bacillus velezensis), and 499G4 (B. megaterium) have a positive effect on the growth of cultivated rice in addition to the resistance to rice blast. The contents of total nitrogen, total phosphorus, total potassium, indole acetic acid (IAA), and chlorophyll in plant leaves were increased. In addition, in the verification test of rice blast infection, the application of inoculants can significantly reduce the content of malondialdehyde (MDA), increase the content of soluble sugar, and increase the activity of plant antioxidant enzymes, which may thereby improve rice in resisting to rice blast.
Lactobacillus salivarius SNK-6 Activates Intestinal Mucosal Immune System by Regulating Cecal Microbial Community Structure in Laying Hens
Authors: Liu Yuchen , Li Lianhong , Yan Huaxiang , Ning Zhonghua , Wang Zhong
Published: July 2022

The production performance and disease resistance of laying hens decrease obviously with age. This study aimed to investigate the effects of supplementary Lactobacillus salivarius (L. salivarius) SNK-6 on laying performance, the immune-related gene expression in cecal tonsil, and the cecal microbial composition of laying hens. Here, 384 Xinyang black commercial hens (55 weeks old) were randomly allocated to three groups under the same husbandry and dietary regimes: basal diet (Con), the low L. salivarius SNK-6 group (T1: 1.0 × 106 CFU/g), and the high L. salivarius SNK-6 group (T2: 1.0 × 107 CFU/g). The results showed that the feed intake and broken-egg rate in the T1 group were significantly higher than the Con group (p < 0.05). Meanwhile, expressions of intestinal mucosal immune-related genes were significantly upregulated. The 16S rRNA gene sequencing indicated that supplementary L. salivarius SNK-6 had no significant difference in α -diversity and only displayed a trend difference in the β-diversity of cecal microbiota (p = 0.07). LEfSe and random forest were further used to identify bacteria family Enterobacteriaceae, order RF39, genera Ochrobactrum, and Eubacterium as biomarkers between the Con and T1 groups. Genera Ochrobactrum, which had high relative abundance and nodal degree in the T1 and T2 groups, showed a significant positive correlation with the expression of TLR-6, IL-10, MHC-II, and CD40 in cecal tonsils and might play a critical role in activating the host intestinal mucosal immune responses. Overall, dietary supplementary L. salivarius SNK-6 can display an immunomodulatory function, possibly by regulating cecal microbial composition. However, the changes in immune responses may be at the expenditure of corresponding production performance, which needs to be weighed up in practical application.
FT-IR Method Limitations for β-Glucan Analysis
Authors: Bikmurzin Ruslan , Bandzevičiūtė Rimantė , Maršalka Arūnas , Maneikis Andrius , Kalėdienė Lilija
Published: July 2022

β-glucans are known as biological response modifiers. However, different sources can result in structural differences and as a result differences in their biological activity. The hot water extraction method allows to obtain, high molecular weight β-glucans without altering their structure by using strong chemicals, such as alkalis or acids. Analysis of β-glucans by FT-IR and NMR spectroscopy in solid state is superior to analysis in solution as it allows researchers to study the preserved structure of the extracted polysaccharides. FT-IR spectroscopy was used in this study to make side-by-side comparison analysis of hot water extracted β-glucans from different yeast sources. NMR spectroscopy was used to confirm findings made by FT-IR spectroscopy. Extracted β-glucans exhibit characteristic structure of β-1,3/1,6-linked glucans with noticeable levels of proteins, possibly in a form of oligopeptides, chitin and other impurities. β-glucans obtained from C. guilliermondii, P. pastoris and S. pastorianus exhibited higher protein content. Differences in mannan, chitin and α-glucan content were also observed; however, the species-specific structure of obtained β-glucans could not be confirmed without additional studies. Structural analysis of high molecular weight β-glucans in solid state by FT-IR spectroscopy is difficult or limited due to band intensity changes and overlapping originating from different molecules.
Halogen-Doped Carbon Dots: Synthesis, Application, and Prospects
Authors: Luo Kun , Wen Yanmei , Kang Xinhuang
Published: July 2022

Carbon dots (CDs) have many advantages, such as tunable photoluminescence, large two-photon absorption cross-sections, easy functionalization, low toxicity, chemical inertness, good dispersion, and biocompatibility. Halogen doping further improves the optical and physicochemical properties of CDs, extending their applications in fluorescence sensors, biomedicine, photocatalysis, anti-counterfeiting encryption, and light-emitting diodes. This review briefly describes the preparation of CDs via the “top-down” and “bottom-up” approaches and discusses the preparation methods and applications of halogen (fluorine, chlorine, bromine, and iodine)-doped CDs. The main challenges of CDs in the future are the elucidation of the luminescence mechanism, fine doping with elements (proportion, position, etc.), and their incorporation in practical devices.
Open-Source Browser-Based Tools for Structure-Based Computer-Aided Drug Discovery
Authors: Wang Ann , Durrant Jacob D.
Published: July 2022

We here outline the importance of open-source, accessible tools for computer-aided drug discovery (CADD). We begin with a discussion of drug discovery in general to provide context for a subsequent discussion of structure-based CADD applied to small-molecule ligand discovery. Next, we identify usability challenges common to many open-source CADD tools. To address these challenges, we propose a browser-based approach to CADD tool deployment in which CADD calculations run in modern web browsers on users’ local computers. The browser app approach eliminates the need for user-initiated download and installation, ensures broad operating system compatibility, enables easy updates, and provides a user-friendly graphical user interface. Unlike server apps—which run calculations “in the cloud” rather than on users’ local computers—browser apps do not require users to upload proprietary information to a third-party (remote) server. They also eliminate the need for the difficult-to-maintain computer infrastructure required to run user-initiated calculations remotely. We conclude by describing some CADD browser apps developed in our lab, which illustrate the utility of this approach. Aside from introducing readers to these specific tools, we are hopeful that this review highlights the need for additional browser-compatible, user-friendly CADD software.
Molecular Action Mechanism of Coixol from Soft-Shelled Adlay on Tyrosinase: The Future of Cosmetics
Authors: Lin Li-Yun , Liao Yi-Lun , Chen Min-Hung , Chang Shih-Feng , Chen Kuan-Chou , Peng Robert Y.
Published: July 2022

Coix lacryma-jobi var. ma-yuen L. Gramineae is widely cultivated in Taiwan. Literature regarding the molecular action mechanism of coixol on tyrosinase and the application of coicis seed extracts to the processing of facial masks is still lacking. Solvent extractability analysis revealed that most of the polyphenolics in coicis seeds were water soluble (3.17 ± 0.12 to 3.63 ± 0.07 μg/mLGAE). In contrast, the methanolic extract contained the most flavonoids (0.06 ± 0.00~0.26 ± 0.03 μg/mL QE) and coixol (11.43 ± 0.13~12.83 ± 0.14 μg/mL), showing potent antioxidant capability. Additionally, the contents of coixenolide (176.77 ± 5.91 to 238.60 ± 0.21 μg/g), phytosterol (52.45 ± 2.05 to 58.23 ± 1.14 mg/g), and polysaccharides (3.42 ± 0.10 to 4.41 ± 0.10 mg/g) were rather high. The aqueous extract (10 μg/mL) and the ethanolic extract (1 mg/mL) showed no cytotoxicity to B16F10 melanocytes. More attractively, the ethanolic extract at 1 mg/mL caused 48.4% inhibition of tyrosinase activity in B16F10 melanocytes, and 50.7% on human tyrosinase (hTyr) fragment 369–377. Conclusively, the coicis seed extracts containing abundant nutraceuticals with promising anti-hTyr activity and moisturizing capability can serve as good ingredients for facial mask processing.
Antioxidant and Anti-Inflammatory Activity of Filipendula glaberrima Nakai Ethanolic Extract and Its Chemical Composition
Authors: Jung Jaemee , Kim Hoon , Lee Sanghyun , Hong Mijin , Hwang Dahyun
Published: July 2022

Many countries are endeavoring to strengthen the competitiveness of their biological resources by exploring and developing wild endemic plants. This study examined the effects of Filipendula glaberrima Nakai (FG) on the antioxidant and anti-inflammatory activity using an in vitro system. The bioactive components were also examined using chromatographic techniques. The ethanol extract of Filipendula glaberrima Nakai (FGE) exerted antioxidant activities in the radical scavenging and reducing power assays and had high amounts of total polyphenolic compounds. The qRT-PCR results suggested that FGE significantly downregulated the levels cyclooxygenase (COX)-2, inducible nitric oxide synthase (iNOS) 2, tumor necrosis factor (TNF)-α, and interleukin (IL)-6 in LPS-stimulated RAW 264.7 cells. The FGE treatment also decreased the production of nitric oxide, TNF-α, and IL-6 significantly in a dose-dependent manner. In addition, FGE downregulated phosphorylation of MAPK and NF-κB signaling pathway-related proteins. The chromatographic and mass spectrometry results showed that FGE contained bioactive flavonoids such as (+)-catechin, miquelianin, quercitrin, and afzelin, which may be active compounds with antioxidant and anti-inflammatory activities. This study provides fundamental data on the anti-inflammatory activity of the FG and can serve as a good starting point for developing a novel natural anti-inflammatory agent using FGE-containing bioactive flavonoids.
Ameliorative Effect of Citropten Isolated from Citrusaurantifolia Peel Extract as a Modulator of T Cell and Intestinal Epithelial Cell Activity in DSS-Induced Colitis
Authors: Lee Hyun-Su , Kim Eun-Nam , Jeong Gil-Saeng
Published: July 2022

Citropten is a coumarin that is mainly found in fruits of Rutaceae trees, but its anti-inflammatory activities in colitis is still unknown. In this study, we investigated its attenuating effect of citropten isolated from Citrus aurantifolia extract on DSS-induced colitis through the modulation of the activity of T cells and intestinal epithelial cells. We found that pre-treatment with citropten downregulates the activity of T cells and intestinal epithelial cells without a negative effect on the viability of Jurkat and HT-29 cells. The results from the Western blot analysis revealed that pre-treatment with citropten reduces the NFκB and MAPK signaling pathway in activated T cells and intestinal epithelial cells. We elucidated that the oral administration of citropten alleviates the colonic inflammation and activity of effector T cells in DSS-induced colitis by measuring changes in body weight, histological scoring from H&E-stained sections, mRNA levels of pro-inflammatory cytokines and the phosphorylation level of the MAPK signaling pathway.
Study of the Antioxidative Effects of Bombyx mori Silk Sericin in Cultures of Murine Retinal Photoreceptor Cells
Authors: Suzuki Shuko , Sakiragaoglu Onur , Chirila Traian V.
Published: July 2022

The availability of natural substances able to fulfill the role of antioxidants in a physiologic environment is important for the development of therapies against diseases associated with excessive production of reactive oxygen species and ensuing oxidative stress. Antioxidant properties have been reported episodically for sericin, a proteinaceous constituent of the silk thread in the cocoons generated by the larvae of the Lepidoptera order. We investigated the sericin fractions isolated from the cocoons spun by the domesticated (Bombyx mori) silkworm. Three fractions were isolated and evaluated, including two peptidoid fractions, the crude sericin and the purified (dialyzed) sericin, and the non-peptidoid methanolic extract of the crude fraction. When subjected to Trolox equivalent antioxidant capacity (TEAC) assay, the extract showed much higher antioxidant capacity as compared to the crude or purified sericin fractions. The three fractions were also evaluated in cultures of murine retinal photoreceptor cells (661 W), a cell line that is highly susceptible to oxidants and is crucially involved in the retinopathies primarily caused by oxidative stress. The extract displayed a significant dose-dependent protective effect on the cultured cells exposed to hydrogen peroxide. In identical conditions, the crude sericin showed a certain level of antioxidative activity at a higher concentration, while the purified sericin did not show any activity. We concluded that the non-peptidoid components accompanying sericin were chiefly responsible for the previously reported antioxidant capacity associated with sericin fractions, a conclusion supported by the qualitative detection of flavonoids in the extract but not in the purified sericin fraction.
Mechanical Load-Induced Atomic-Scale Deformation Evolution and Mechanism of SiC Polytypes Using Molecular Dynamics Simulation
Authors: Wang Haoxiang , Gao Shang , Kang Renke , Guo Xiaoguang , Li Honggang
Published: July 2022

Silicon carbide (SiC) is a promising semiconductor material for making high-performance power electronics with higher withstand voltage and lower loss. The development of cost-effective machining technology for fabricating SiC wafers requires a complete understanding of the deformation and removal mechanism. In this study, molecular dynamics (MD) simulations were carried out to investigate the origins of the differences in elastic–plastic deformation characteristics of the SiC polytypes, including 3C-SiC, 4H-SiC and 6H-SiC, during nanoindentation. The atomic structures, pair correlation function and dislocation distribution during nanoindentation were extracted and analyzed. The main factors that cause elastic–plastic deformation have been revealed. The simulation results show that the deformation mechanisms of SiC polytypes are all dominated by amorphous phase transformation and dislocation behaviors. Most of the amorphous atoms recovered after completed unload. Dislocation analysis shows that the dislocations of 3C-SiC are mainly perfect dislocations during loading, while the perfect dislocations in 4H-SiC and 6H-SiC are relatively few. In addition, 4H-SiC also formed two types of stacking faults.
Adsorptive Removal of Naproxen from Water Using Polyhedral Oligomeric Silesquioxane (POSS) Covalent Organic Frameworks (COFs)
Authors: Bala Suleiman , Abdullah Che Azurahanim Che , Tahir Mohamed Ibrahim Mohamed , Abdul Rahman Mohd Basyaruddin
Published: July 2022

Covalent organic frameworks are porous crystalline compounds made up of organic material bonded together by strong reversible covalent bonds (these are novel types of materials which have the processability of extended or repeated structures with high performance, like those of thermosets and thermoplastics that produce high surface coverage). These have a long-term effect on an arrangement’s geometry and permeability. These compounds are entirely made up of light elements like H, B, C, N, O and Si. Pharmaceuticals and personal care products (PPCPs) have emerged as a new threatened species. A hazardous substance known as an “emerging toxin,” such as naproxen, is one that has been established or is generated in sufficient amounts in an environment, creating permanent damage to organisms. COF-S7, OAPS and 2-methylanthraquionone(2-MeAQ), and COF-S12, OAPS and terephthalaldehyde (TPA) were effectively synthesized by condensation (solvothermal) via a Schiff base reaction (R1R2C=NR′), with a molar ratio of 1:8 for OAPS to linker (L1 and L2), at a temperature of 125 °C and 100 °C for COF-S7 and COF-S12, respectively. The compounds obtained were assessed using several spectroscopy techniques, which revealed azomethine C=N bonds, aromatic carbon environments via solid 13C and 29Si NMR, the morphological structure and porosity, and the thermostability of these materials. The remedied effluent was investigated, and a substantial execution was noted in the removal ability of the naproxen over synthesized materials, such as 70% and 86% at a contact time of 210 min and 270 min, respectively, at a constant dose of 0.05 g and pH 7. The maximum adsorption abilities of the substances were found to be 35 mg/g and 42 mg/g. The pH result implies that there is stable exclusion with a rise in pH to 9. At pH 9, the drop significance was attained for COF-S7 with the exception of COF-S12, which was detected at pH 11, due to the negative Foster charge, consequent to the repulsion among the synthesized COFs and naproxen solution. From the isotherms acquired (Langmuir and Freundlich), the substances displayed a higher value (close to 1) of correlation coefficient (R2), which showed that the substances fit into the Freundlich isotherm (heterogenous process), and the value of heterogeneity process (n) achieved (less than 1) specifies that the adsorption is a chemical process. Analysis of the as-prepared composites revealed remarkable reusability in the elimination of naproxen by adsorption. Due to its convenience of synthesis, significant adsorption effectiveness, and remarkable reusability, the as-synthesized COFs are expected to be able to be used as potential adsorbents for eliminating AIDs from water.
Profile of Folate in Breast Milk from Chinese Women over 1–400 Days Postpartum
Authors: Su Yanyan , Mao Yingyi , Tian Fang , Cai Xiaokun , Chen Ruidi , Li Na , Qian Changli , Li Xiang , Zhao Yanrong , Wang Yu
Published: July 2022

Folate is an essential nutrient for growth in early life. This study aimed to determine the levels and compositions of folate in Chinese breast milk samples. This study was part of the Maternal Nutrition and Infant Investigation (MUAI) study. A total of 205 healthy mothers were randomly recruited in Chengdu over 1–400 days postpartum. Five different species of folate, including tetrahydrofolate (THF), 5-methyl-THF, 5,10-methenyl-THF,5-formyl-THF and unmetabolized folic acid (UMFA), were measured for liquid chromatography–tandem mass spectrometry (LC-MS). The median levels of total folate ranged from 12.86 to 56.77 ng/mL in the breast milk of mothers at 1–400 days postpartum, gradually increasing throughout the lactating periods. The median levels of 5-methyl-THF, minor reduced folate (the sum of THF, 5,10-methenyl-THF and 5-formyl-THF) and UMFA were in the ranges of 8.52–40.65 ng/mL, 3.48–16.15 ng/mL and 0.00–1.24 ng/mL during 1–400 days postpartum, respectively. 5-Methyl-THF accounted for more than 65% of the total folate in all breast milk samples. The levels of UMFA in mature breast milk samples were higher in supplement users than nonusers, but not for colostrum and transitional milk samples (p < 0.05). In conclusion, the level of total folate in the breast milk changed along with the prolonged lactating periods, but 5-methyl-THF remains the dominant species of folate in the breast milk of Chinese populations across all entire lactating periods.
New Insights into Bile Acids Related Signaling Pathways in the Onset of Colorectal Cancer
Authors: Caliceti Cristiana , Punzo Angela , Silla Alessia , Simoni Patrizia , Roda Giulia , Hrelia Silvana
Published: July 2022

Colorectal cancer (CRC) ranks as the second among the causes of tumor death worldwide, with an estimation of 1.9 million new cases in 2020 and more than 900,000 deaths. This rate might increase by 60% over the next 10 years. These data are unacceptable considering that CRC could be successfully treated if diagnosed in the early stages. A high-fat diet promotes the hepatic synthesis of bile acids (BAs) increasing their delivery to the colonic lumen and numerous scientific reports correlate BAs, especially secondary BAs, with CRC incidence. We reviewed the physicochemical and biological characteristics of BAs, focusing on the major pathways involved in CRC risk and progression. We specifically pointed out the role of BAs as signaling molecules and the tangled relationships among their nuclear and membrane receptors with the big bang of molecular and cellular events that trigger CRC occurrence.