bluuebunny/crossref_metadata_2025 huggingface dataset:
Donnan Membrane Process for the Selective Recovery and Removal of Target Metal Ions—A Mini Review
Authors: Asante-Sackey Dennis , Rathilal Sudesh , Kweinor Tetteh Emmanuel , Ezugbe Elorm Obotey , Pillay Lingham V.
Published: May 2021

Membrane-based water purification technologies contribute significantly to water settings, where it is imperative to use low-cost energy sources to make the process economically and technically competitive for large-scale applications. Donnan membrane processes (DMPs) are driven by a potential gradient across an ion exchange membrane and have an advantage over fouling in conventional pressure driven membrane technologies, which are gaining attention. DMP is a removal, recovery and recycling technology that is commonly used for separation, purification and the concentrating of metals in different water and waste streams. In this study, the principle and application of DMP for sustainable wastewater treatment and prospects of chemical remediation are reviewed and discussed. In addition, the separation of dissolved metal ions in wastewater settings without the use of pressure driven gradients or external energy supply membrane technologies is highlighted. Furthermore, DMP distinctive configurations and operational factors are explored and the prospects of integrating them into the wastewater treatment plants are recommended.
Description of the Expansion of a Two-Layer Tube: An Analytic Plane-Strain Solution for Arbitrary Pressure-Independent Yield Criterion and Hardening Law
Authors: Alexandrov Sergei , Lyamina Elena , Lang Lihui
Published: May 2021

The main objective of the present paper is to provide a simple analytical solution for describing the expansion of a two-layer tube under plane-strain conditions for its subsequent use in the preliminary design of hydroforming processes. Each layer’s constitutive equations are an arbitrary pressure-independent yield criterion, its associated plastic flow rule, and an arbitrary hardening law. The elastic portion of strain is neglected. The method of solution is based on two transformations of space variables. Firstly, a Lagrangian coordinate is introduced instead of the Eulerian radial coordinate. Then, the Lagrangian coordinate is replaced with the equivalent strain. The solution reduces to ordinary integrals that, in general, should be evaluated numerically. However, for two hardening laws of practical importance, these integrals are expressed in terms of special functions. Three geometric parameters for the initial configuration, a constitutive parameter, and two arbitrary functions classify the boundary value problem. Therefore, a detailed parametric analysis of the solution is not feasible. The illustrative example demonstrates the effect of the outer layer’s thickness on the pressure applied to the inner radius of the tube.
Effect of Interface on the Deep Drawability of Ti/Al Multilayered Composites
Authors: Cao Miao , Wang Cui-Ju , Deng Kun-Kun , Nie Kai-Bo
Published: May 2021

Ti/Al multilayered composites (LMCs) with different layers were prepared by hot-pressing and hot-rolling. The effects of interface on the deep drawability of LMCs were explored. The results indicate that LMCs with more layers have a higher limit-drawing ratio (LDR) and exhibit an excellent deep drawability. The texture strength of the Ti layer gradually weakens with the increase of layers, which leads to the smaller yield ratio (σs/σb), the plastic strain ratio (r), and the larger strain hardening index (n), thus the deep drawability of LMCs with more layers is enhanced effectively. The Ti/Al interfaces in three, five, and seven layers of LMCs exhibit straight, small wave-like interlocking, and dense serrated structures at the corner of the cylindrical parts, respectively. The component metals become thinner with the increase of layers, and the increased interfacial pressure promotes the formation of an increasingly firm overlapped interfacial structure. The load transfer via the interfaces makes the stress distribution between layers more uniform with the increase of layers, which helps to coordinate deformation. Deflection and tearing occur when the cracks propagate to the interface due to the complex stress state, which hinders and delays the crack penetration, thereby improving the deep drawability of LMCs with more layers.
Synchrotron X-ray Analysis of the Influence of the Magnesium Content on the Absorptance during Full-Penetration Laser Welding of Aluminum
Authors: Wagner Jonas , Hagenlocher Christian , Hummel Marc , Olowinsky Alexander , Weber Rudolf , Graf Thomas
Published: May 2021

Full-penetration laser beam welding is characterized by a weld seam whose depth equals the material thickness. It is associated with a stable capillary and is therefore widely used for welding of sheet metal components. The realization of lightweight concepts in car body production requires the application of high-strength aluminum alloys that contain magnesium as an alloying element, which significantly influences the evaporation temperature and pressure. This change of the evaporation processes influences the geometry of the capillary and therefore its absorptance. In order to quantify the influence of magnesium on the capillary, their geometries were captured by means of high-speed synchrotron X-ray imaging during the welding process of the aluminum alloys AA1050A (Al99.5), AA5754 (AlMg3) and AA6016 (AlSi1.2Mg0.4). The 3D-geometries of the capillaries were reconstructed from the intensity distribution in the recorded X-ray images and their absorptance of the incident laser beam was determined by the analysis of the reconstructed 3D-geometry with a raytracing algorithm. The results presented in this paper capture for the first time the influence of the magnesium content in high-strength aluminum alloys on the aspect ratio of the capillary, which explains the reduced absorptance in case of full-penetration laser beam welding of aluminum alloys with a high content of volatile elements. In order to improve the absorptance in full-penetration welding, these findings provide the information required for the deduction of new optimization approaches.
Numerical Simulation of Bottom-Blowing Stirring in Different Smelting Stages of Electric Arc Furnace Steelmaking
Authors: Hu Hang , Yang Lingzhi , Guo Yufeng , Chen Feng , Wang Shuai , Zheng Fuqiang , Li Bo
Published: May 2021

Electric arc furnace (EAF) steel bottom-blowing can effectively improve the temperature and composition uniformity of the molten pool during smelting process. To explore the effect of molten-steel characteristics on bottom-blowing at various stages of smelting, we divided the smelting process of the EAF into four stages: the melting stage, the early decarburization stage, the intermediate smelting stage, and the ending smelting stage. The numerical simulation software ANSYS Fluent 18.2 was used to simulate the velocity field of molten steel under the condition of bottom-blowing stirring in different stages in EAF steelmaking process. The properties of bottom-blowing and the kinetic conditions of the steel-slag at this interface were investigated. Our results showed that at a bottom-blowing gas flow rate of 100 L/min, the average flow rates of the four stages were v1 = 0.0081 m/s, v2 = 0.0069 m/s, v3 = 0.0063 m/s, and v4 = 0.0053 m/s. The physical model verification confirmed the results, that is, the viscosity of molten steel decreased as the smelting progressed, and the flow velocity of the molten steel caused by the agitation of bottom-blowing also decreased, the effect of bottom-blowing decreased. Based on these results, a theoretical basis was provided for the development of the bottom-blowing process.
Structural Evolution in Wet Mechanically Alloyed Co-Fe-(Ta,W)-B Alloys
Authors: Girman Vladimír , Lisnichuk Maksym , Yudina Daria , Matvija Miloš , Sovák Pavol , Bednarčík Jozef
Published: May 2021

In the present study, the effect of wet mechanical alloying (MA) on the glass-forming ability (GFA) of Co43Fe20X5.5B31.5 (X = Ta, W) alloys was studied. The structural evolution during MA was investigated using high-energy X-ray diffraction, X-ray absorption spectroscopy, high-resolution transmission electron microscopy and magnetic measurements. Pair distribution function and extended X-ray absorption fine structure spectroscopy were used to characterize local atomic structure at various stages of MA. Besides structural changes, the magnetic properties of both compositions were investigated employing a vibrating sample magnetometer and thermomagnetic measurements. It was shown that using hexane as a process control agent during wet MA resulted in the formation of fully amorphous Co-Fe-Ta-B powder material at a shorter milling time (100 h) as compared to dry MA. It has also been shown that substituting Ta with W effectively suppresses GFA. After 100 h of MA of Co-Fe-W-B mixture, a nanocomposite material consisting of amorphous and nanocrystalline bcc-W phase was synthesized.
Microstructure and Mechanical Properties of a Combination Interface between Direct Energy Deposition and Selective Laser Melted Al-Mg-Sc-Zr Alloy
Authors: Deng Cao , Li Ruidi , Yuan Tiechui , Niu Pengda , Wang Yin
Published: May 2021

Selective laser melting (SLM) and direct energy deposition (DED) are two widely used technologies in additive manufacturing (AM). However, there are few studies on the combination of the two technologies, which can synthetically combine the advantages of the two technologies for more flexible material design. This paper systematically studies the Al-Mg-Sc-Zr alloy by combination of SLM and DED with emphasis on its bonding properties, microstructure, and metallurgical defects. It is found that the aluminum alloy prepared by the two methods achieves a good metallurgical combination. The microstructure of aluminum alloy prepared by DED is composed of equiaxed crystals, and there are a large number of Al3(Sc, Zr) precipitated phase particles rich in Sc and Zr. The microstructure of SLM aluminum alloy is composed of equiaxed crystals and columnar crystals, and there is a fine-grained area at the boundary of the molten pool. With the decrease of laser volumetric energy density (VED), the width and depth of the molten pool at the interface junction gradually decrease. The porosity gradually increases with the decrease of VED, and the microhardness shows a downward trend. Tensile strength and elongation at fracture of the SLM printed sample at 133.3 J/mm3 are about 400 MPa and 9.4%, while the direct energy depositioned sample are about 280 MPa and 5.9%. Due to the excellent bonding performance, this research has certain guiding significance for SLM–DED composite aluminum alloy.
Optimizing the Integrity of Linear Friction Welded Ti2AlNb Alloys
Authors: Chen Xi , Zhang Zhao , Xie Faqin , Wu Xiangqing , Ma Tiejun , Li Wenya , Sun Dianjun
Published: May 2021

The knowledge of process parameters–weld integrity-aging treatments–tensile property relationship is of great concern for linear friction welded (LFWed) Ti2AlNb-based alloy and requires a systematic characterization. Thus, the Ti2AlNb-based alloy was LFWed under various process parameters and then subjected to different aging treatments. Twelve welding conditions were used to evaluate the weld integrity, showing that impurities and cracks at weld interface can be eliminated under strong welding parameters and the feed rate has the greatest influence on the weld integrity among all process parameters. Relationships among aging temperatures, microstructure evolution, and mechanical properties were investigated. After aging treatment, acicular O phase has precipitated in B2 grains both in the weld zone and thermo-mechanical affected zone (TMAZ). The size of precipitated O phase increases along with the increase of temperature, and the α2 + O mixtures have finally decomposed into the aggregated acicular O phase. The microhardness and tensile strength of the joints have been enhanced due to the precipitation hardening of O phase and refined grain strengthening after aging treatments.
Mo–Nb–Si–B Alloy: Synthesis, Composition, and Structure
Authors: Andreev Dmitrii , Vdovin Yurii , Yukhvid Vladimir , Golosova Olga
Published: May 2021

Cast refractory alloys Mo–Nb–Si–B were prepared by centrifugal self-propagating high-temperature synthesis (SHS) from metallothermic mixtures containing MoO3, Nb2O5, Al, Si, and B powders, and additive of Al2O3 as a temperature-moderating and chemically inert agent. Variation in the centrifugal acceleration and amount of the additive affected the composition and structure of cast Mo–Nb–Si–B alloys. In a wide range of values, the combustion temperature was found to exceed 3000 K, and the combustion products were obtained as two-layer ingots of target Mo–Nb–Si–B alloy (lower) and Al2O3 slag (upper).
Browning of White Adipose Tissue as a Therapeutic Tool in the Fight against Atherosclerosis
Authors: Roth Christel L. , Molica Filippo , Kwak Brenda R.
Published: May 2021

Despite continuous medical advances, atherosclerosis remains the prime cause of mortality worldwide. Emerging findings on brown and beige adipocytes highlighted that these fat cells share the specific ability of non-shivering thermogenesis due to the expression of uncoupling protein 1. Brown fat is established during embryogenesis, and beige cells emerge from white adipose tissue exposed to specific stimuli like cold exposure into a process called browning. The consecutive energy expenditure of both thermogenic adipose tissues has shown therapeutic potential in metabolic disorders like obesity and diabetes. The latest data suggest promising effects on atherosclerosis development as well. Upon cold exposure, mice and humans have a physiological increase in brown adipose tissue activation and browning of white adipocytes is promoted. The use of drugs like β3-adrenergic agonists in murine models induces similar effects. With respect to atheroprotection, thermogenic adipose tissue activation has beneficial outcomes in mice by decreasing plasma triglycerides, total cholesterol and low-density lipoproteins, by increasing high-density lipoproteins, and by inducing secretion of atheroprotective adipokines. Atheroprotective effects involve an unaffected hepatic clearance. Latest clinical data tend to find thinner atherosclerotic lesions in patients with higher brown adipose tissue activity. Strategies for preserving healthy arteries are a major concern for public health.
Recent Advances in Microfluidic Devices for Contamination Detection and Quality Inspection of Milk
Authors: Ng Hwee-Yeong , Lee Wen-Chin , Kung Chia-Te , Li Lung-Chih , Lee Chien-Te , Fu Lung-Ming
Published: May 2021

Milk is a necessity for human life. However, it is susceptible to contamination and adulteration. Microfluidic analysis devices have attracted significant attention for the high-throughput quality inspection and contaminant analysis of milk samples in recent years. This review describes the major proposals presented in the literature for the pretreatment, contaminant detection, and quality inspection of milk samples using microfluidic lab-on-a-chip and lab-on-paper platforms in the past five years. The review focuses on the sample separation, sample extraction, and sample preconcentration/amplification steps of the pretreatment process and the determination of aflatoxins, antibiotics, drugs, melamine, and foodborne pathogens in the detection process. Recent proposals for the general quality inspection of milk samples, including the viscosity and presence of adulteration, are also discussed. The review concludes with a brief perspective on the challenges facing the future development of microfluidic devices for the analysis of milk samples in the coming years.
Microbial Sharing between Pediatric Patients and Therapy Dogs during Hospital Animal-Assisted Intervention Programs
Authors: Dalton Kathryn R. , Ruble Kathy , Redding Laurel E. , Morris Daniel O. , Mueller Noel T. , Thorpe Roland J. , Agnew Jacqueline , Carroll Karen C. , Planet Paul J. , Rubenstein Ronald C. , Chen Allen R. , Grice Elizabeth A. , Davis Meghan F.
Published: May 2021

Microbial sharing between humans and animals has been demonstrated in a variety of settings. However, the extent of microbial sharing that occurs within the healthcare setting during animal-assisted intervention programs is unknown. Understanding microbial transmission between patients and therapy dogs can provide important insights into potential health benefits for patients, in addition to addressing concerns regarding potential pathogen transmission that limits program utilization. This study evaluated for potential microbial sharing between pediatric patients and therapy dogs and tested whether patient–dog contact level and a dog decolonization protocol modified this sharing. Patients, therapy dogs, and the hospital environment were sampled before and after every group therapy session and samples underwent 16S rRNA sequencing to characterize microbial communities. Both patients and dogs experienced changes in the relative abundance and overall diversity of their nasal microbiome, suggesting that the exchange of microorganisms had occurred. Increased contact was associated with greater sharing between patients and therapy dogs, as well as between patients. A topical chlorhexidine-based dog decolonization was associated with decreased microbial sharing between therapy dogs and patients but did not significantly affect sharing between patients. These data suggest that the therapy dog is both a potential source of and a vehicle for the transfer of microorganisms to patients but not necessarily the only source. The relative contribution of other potential sources (e.g., other patients, the hospital environment) should be further explored to determine their relative importance.
Evaluation of the European Committee on Antimicrobial Susceptibility Testing Guidelines for Rapid Antimicrobial Susceptibility Testing of Bacillus anthracis-, Yersinia pestis- and Francisella tularensis-Positive Blood Cultures
Authors: Shifman Ohad , Aminov Tamar , Aftalion Moshe , Gur David , Cohen Hila , Bar-David Elad , Cohen Ofer , Mamroud Emanuelle , Levy Haim , Aloni-Grinstein Ronit , Steinberger-Levy Ida , Rotem Shahar
Published: May 2021

Rapid determination of bacterial antibiotic susceptibility is important for proper treatment of infections. The European Committee on Antimicrobial Susceptibility Testing (EUCAST) has recently published guidelines for rapid antimicrobial susceptibility testing (RAST) performed directly from positive blood culture vials. These guidelines, however, were only published for a limited number of common pathogenic bacteria. In this study, we evaluated the applicability of these guidelines to three Tier 1 bioterror agents (Bacillus anthracis, Yersinia pestis and Francisella tularensis) that require prompt antibiotic treatment to mitigate morbidity and mortality. We used spiked-in human blood incubated in a BACTEC™ FX40 system to determine the proper conditions for RAST using disc-diffusion and Etest assays. We found that reliable disc-diffusion inhibition diameters and Etest MIC values could be obtained in remarkably short times. Compared to the EUCAST-recommended disc-diffusion assays that will require adjusted clinical breakpoint tables, Etest-based RAST was advantageous, as the obtained MIC values were similar to the standard MIC values, enabling the use of established category breakpoint tables. Our results demonstrate the promising applicability of the EUCAST RAST for B. anthracis-, Y. pestis- or F. tularensis-positive blood cultures, which can lead to shorter diagnostics and prompt antibiotic treatment of these dangerous pathogens.
Detection of Human Cytomegalovirus Proteins in Paraffin-Embedded Breast Cancer Tissue Specimens—A Novel, Automated Immunohistochemical Staining Protocol
Authors: Touma Joel , Liu Yan , Rahbar Afsar , Pantalone Mattia Russel , Almazan Nerea Martin , Vetvik Katja , Söderberg-Nauclér Cecilia , Geisler Jürgen , Sauer Torill
Published: May 2021

Emerging evidence supports a significant association between human cytomegalovirus (HCMV) and human malignancies, suggesting HCMV as a human oncomodulatory virus. HCMV gene products are found in >90% of breast cancer tumors and seem to be correlated with more aggressive disease. The definitive diagnosis of HCMV relies on identification of virus inclusions and/or viral proteins by different techniques including immunohistochemical staining. In order to reduce biases and improve clinical value of HCMV diagnostics in oncological pathology, automation of the procedure is needed and this was the purpose of this study. Tumor specimens from 115 patients treated for primary breast cancer at Akershus University Hospital in Norway were available for the validation of the staining method in this retrospective study. We demonstrate that our method is highly sensitive and delivers excellent reproducibility for staining of HCMV late antigen (LA), which makes this method useful for future routine diagnostics and scientific applications.
Microbial Composition of SCOBY Starter Cultures Used by Commercial Kombucha Brewers in North America
Authors: Harrison Keisha , Curtin Chris
Published: May 2021

Kombucha fermentation is initiated by transferring a solid-phase cellulosic pellicle into sweetened tea and allowing the microbes that it contains to initiate the fermentation. This pellicle, commonly referred to as a symbiotic culture of bacteria and yeast (SCOBY), floats to the surface of the fermenting tea and represents an interphase environment, where embedded microbes gain access to oxygen as well as nutrients in the tea. To date, various yeast and bacteria have been reported to exist within the SCOBY, with little consensus as to which species are essential and which are incidental to Kombucha production. In this study, we used high-throughput sequencing approaches to evaluate spatial homogeneity within a single commercial SCOBY and taxonomic diversity across a large number (n = 103) of SCOBY used by Kombucha brewers, predominantly in North America. Our results show that the most prevalent and abundant SCOBY taxa were the yeast genus Brettanomyces and the bacterial genus Komagataeibacter, through careful sampling of upper and lower SCOBY layers. This sampling procedure is critical to avoid over-representation of lactic acid bacteria. K-means clustering was used on metabarcoding data of all 103 SCOBY, delineating four SCOBY archetypes based upon differences in their microbial community structures. Fungal genera Zygosaccharomyces, Lachancea and Starmerella were identified as the major compensatory taxa for SCOBY with lower relative abundance of Brettanomyces. Interestingly, while Lactobacillacae was the major compensatory taxa where Komagataeibacter abundance was lower, phylogenic heat-tree analysis infers a possible antagonistic relationship between Starmerella and the acetic acid bacterium. Our results provide the basis for further investigation of how SCOBY archetype affects Kombucha fermentation, and fundamental studies of microbial community assembly in an interphase environment.
Extraction of Peppermint Essential Oils and Lipophilic Compounds: Assessment of Process Kinetics and Environmental Impacts with Multiple Techniques
Authors: Radivojac Aleksandar , Bera Oskar , Zeković Zoran , Teslić Nemanja , Mrkonjić Živan , Bursać Kovačević Danijela , Putnik Predrag , Pavlić Branimir
Published: May 2021

Consumers are becoming more mindful of their well-being. Increasing awareness of the many beneficial properties of peppermint essential oil (EO) has significantly increased product sales in recent years. Hydrodistillation (HD), a proven conventional method, and a possible alternative in the form of microwave-assisted hydrodistillation (MWHD) have been used to isolate peppermint EO. Standard Soxhlet and alternatively supercritical fluid (SFE), microwave-assisted, and ultrasound-assisted extraction separated the lipid extracts. The distillations employed various power settings, and the EO yield varied from 0.15 to 0.80%. The estimated environmental impact in terms of electricity consumption and CO2 emissions suggested that MWHD is an energy efficient way to reduce CO2 emissions. Different extraction methods and solvent properties affected the lipid extract yield, which ranged from 2.55 to 5.36%. According to the corresponding values of statistical parameters, empiric mathematical models were successfully applied to model the kinetics of MWHD and SFE processes.
Synthesis and Nano-Sized Characterization of Bioactive Oregano Essential Oil Molecule-Loaded Small Unilamellar Nanoliposomes with Antifungal Potentialities
Authors: Aguilar-Pérez Katya M. , Medina Dora I. , Narayanan Jayanthi , Parra-Saldívar Roberto , Iqbal Hafiz M. N.
Published: May 2021

The development of greener nano-constructs with noteworthy biological activity is of supreme interest, as a robust choice to minimize the extensive use of synthetic drugs. Essential oils (EOs) and their constituents offer medicinal potentialities because of their extensive biological activity, including the inhibition of fungi species. However, their application as natural antifungal agents are limited due to their volatility, low stability, and restricted administration routes. Nanotechnology is receiving particular attention to overcome the drawbacks of EOs such as volatility, degradation, and high sensitivity to environmental/external factors. For the aforementioned reasons, nanoencapsulation of bioactive compounds, for instance, EOs, facilitates protection and controlled-release attributes. Nanoliposomes are bilayer vesicles, at nanoscale, composed of phospholipids, and can encapsulate hydrophilic and hydrophobic compounds. Considering the above critiques, herein, we report the in-house fabrication and nano-size characterization of bioactive oregano essential oil (Origanum vulgare L.) (OEO) molecules loaded with small unilamellar vesicles (SUV) nanoliposomes. The study was focused on three main points: (1) multi-compositional fabrication nanoliposomes using a thin film hydration–sonication method; (2) nano-size characterization using various analytical and imaging techniques; and (3) antifungal efficacy of as-developed OEO nanoliposomes against Trichophyton rubrum (T. rubrum) by performing the mycelial growth inhibition test (MGI). The mean size of the nanoliposomes was around 77.46 ± 0.66 nm and 110.4 ± 0.98 nm, polydispersity index (PdI) of 0.413 ± 0.015, zeta potential values up to −36.94 ± 0.36 mV were obtained by dynamic light scattering (DLS). and spherical morphology was confirmed by scanning electron microscopy (SEM). The presence of OEO into nanoliposomes was displayed by attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy. Entrapment efficiency values of 79.55 ± 6.9% were achieved for OEO nanoliposomes. In vitro antifungal activity of nanoliposomes tested against T. rubrum strains revealed that OEO nanoliposomes exhibited the highest MGI, 81.66 ± 0.86%, at a concentration of 1.5 µL/mL compared to the rest of the formulations. In summary, this work showed that bioactive OEO molecules with loaded nanoliposomes could be used as natural antifungal agents for therapeutical purposes against T. rubrum.
Carbon Dioxide Reduction with Hydrogen on Fe, Co Supported Alumina and Carbon Catalysts under Supercritical Conditions
Authors: Bogdan Viktor I. , Koklin Aleksey E. , Kustov Alexander L. , Pokusaeva Yana A. , Bogdan Tatiana V. , Kustov Leonid M.
Published: May 2021

Reduction of CO2 with hydrogen into CO was studied for the first time on alumina-supported Co and Fe catalysts under supercritical conditions with the goal to produce either CO or CH4 as the target products. The extremely high selectivity towards methanation close to 100% was found for the Co/Al2O3 catalyst, whereas the Fe/Al2O3 system demonstrates a predominance of hydrogenation to CO with noticeable formation of ethane (up to 15%). The space–time yield can be increased by an order of magnitude by using the supercritical conditions as compared to the gas-phase reactions. Differences in the crystallographic phase features of Fe-containing catalysts cause the reverse water gas shift reaction to form carbon monoxide, whereas the reduced iron phases initiate the Fischer–Tropsch reaction to produce a mixture of hydrocarbons. Direct methanation occurs selectively on Co catalysts. No methanol formation was observed on the studied Fe- and Co-containing catalysts.
Impact of Deuteration and Temperature on Furan Ring Dynamics
Authors: Dopieralski Przemyslaw , Omelchenko Iryna V. , Latajka Zdzislaw
Published: May 2021

Despite significant progress in conformational analysis of cyclic molecules, the number of computational studies is still limited while most of that available in the literature data have been obtained long time ago with outdated methods. In present research, we have studied temperature driven conformational changes of the furan ring at three different temperatures. Additionally, the effect of deuteration on the ring dynamics is discussed; in addition, the aromaticity indices following the Bird and HOMA schemes are computed along all trajectories. Our ab initio molecular dynamic simulations revealed that deuteration has changed the furan ring dynamics and the obvious consequences; in addition, the shape and size of molecule are expected to be different.
Contributions from Mexican Flora for the Treatment of Diabetes Mellitus: Molecules of Psacalium decompositum (A. Gray) H. Rob & Brettell
Authors: Jiménez-Estrada Manuel , Huerta-Reyes Maira , Tavera-Hernández Rosario , Alvarado-Sansininea J. Javier , Alvarez Ana Berenice
Published: May 2021

Diabetes mellitus (DM) is cited as a serious worldwide health problem that occupies second place in causes of annual mortality in Mexico. Among Mexican flora, nearly 300 plant species have been employed as hypoglycemic in popular use. Thus, their study entertains great relevance In this context, this work contributes a clear and timely review of the plant species utilized in Traditional Mexican Medicine and experimental biological models in which not only have the hypoglycemic properties of the extracts and the isolated compounds been considered, but also the anti-inflammatory and antioxidant properties, taking into account an integral focus based on the complex mechanisms involved in the pathogenesis and physiopathology of DM. Among the species reviewed, we highlight Psacalium decompositum (Asteraceae), due to the potent hypoglycemic, anti-inflammatory, and antioxidant activity of the sesquiterpenes identified as majority compounds isolated from the root, such as cacalol and cacalone that also possess the capacity of increasing insulin levels. In this manner, the present manuscript attempts to contribute necessary information for the future study of bioactive molecules that are useful in the treatment of DM, as well as also being a contribution to the knowledge and diffusion of Mexican Traditional Medicine.
Aptamer Laden Liquid Crystals Biosensing Platform for the Detection of HIV-1 Glycoprotein-120
Authors: Abbasi Amna Didar , Hussain Zakir , Yang Kun-Lin
Published: May 2021

We report a label-free and simple approach for the detection of glycoprotein-120 (gp-120) using an aptamer-based liquid crystals (LCs) biosensing platform. The LCs are supported on the surface of a modified glass slide with a suitable amount of B40t77 aptamer, allowing the LCs to be homeotropically aligned. A pronounced topological change was observed on the surface due to a specific interaction between B40t77 and gp-120, which led to the disruption of the homeotropic alignment of LCs. This results in a dark-to-bright transition observed under a polarized optical microscope. With the developed biosensing platform, it was possible to not only identify gp-120, but obtained results were analyzed quantitatively through image analysis. The detection limit of the proposed biosensing platform was investigated to be 0.2 µg/mL of gp-120. Regarding selectivity of the developed platform, no response could be detected when gp-120 was replaced by other proteins, such as bovine serum albumin (BSA), hepatitis A virus capsid protein 1 (Hep A VP1) and immunoglobulin G protein (IgG). Due to attributes such as label-free, high specificity and no need for instrumental read-out, the presented biosensing platform provides the potential to develop a working device for the quick detection of HIV-1 gp-120.
Effect of Molybdenum (Mo) Addition on Phase Composition, Microstructure, and Mechanical Properties of Pre-Alloyed Ti6Al4V Using Spark Plasma Sintering Technique
Authors: Rajadurai Murugesan , Muthuchamy Ayyapparaj , Annamalai A. Raja , Agrawal Dinesh K. , Jen Chun-Ping
Published: May 2021

The effect of molybdenum additions on the phases, microstructures, and mechanical properties of pre-alloyed Ti6Al4V was studied through the spark plasma sintering technique. Ti6Al4V-xMo (where x = 0, 2, 4, 6 wt.% of Mo) alloys were developed, and the sintered compacts were characterized in terms of their phase composition, microstructure, and mechanical properties. The results show that the equiaxed primary alpha and Widmänstatten (alpha + beta) microstructure in pre-alloyed Ti6Al4V is transformed into a duplex and globular model with the increasing content of Mo from 0 to 6%. The changing pattern of the microstructure of the sample strongly influences the properties of the material. The solid solution hardening element such as Mo enhances mechanical properties such as yield strength, ultimate tensile strength, ductility, and hardness compared with the pre-alloyed Ti6Al4V alloy.
ESI-MS Analysis of Thiol-yne Click Reaction in Petroleum Medium
Authors: Degtyareva Evgeniya S. , Burykina Julia V. , Ananikov Valentine P.
Published: May 2021

Petroleum contains a large number of heteroatomic compounds, but today, most of them are not efficiently utilized. The constant development of the sustainability concept recalls for rethinking the usage of fossil resources with improved chemical utility. In order to initiate research aimed at involving active petroleum compounds in chemical transformations, a new analytical method for product detection is needed. Here, we study the click reaction of thiols with alkynes, leading to the formation of α-vinyl sulfides directly in the petroleum environment. The reaction was carried out using an (IMes)Pd(acac)Cl catalyst, which demonstrated tolerance to petroleum components. In this study, the concentration of thiols ranged from 1 M to 0.01 M (from 8% to 0.1%). To detect products at low concentrations, a special alkyne labeled with an imidazole moiety was used. This approach made it possible to observe the formation of vinyl sulfides by electrospray ionization mass spectrometry (ESI-MS), which provides an opportunity for further optimization of the reaction conditions and future developments for the direct involvement of oil components in chemical reactions.
Mineralization of Phosphorylated Fish Skin Collagen/Mangosteen Scaffolds as Potential Materials for Bone Tissue Regeneration
Authors: Milan Eduardo P. , Rodrigues Murilo Á. V. , Martins Virginia C. A. , Plepis Ana M. G. , Fuhrmann-Lieker Thomas , Horn Marilia M.
Published: May 2021

In this study, a potential hard tissue substitute was mimicked using collagen/mangosteen porous scaffolds. Collagen was extracted from Tilapia fish skin and mangosteen from the waste peel of the respective fruit. Sodium trimetaphosphate was used for the phosphorylation of these scaffolds to improve the nucleation sites for the mineralization process. Phosphate groups were incorporated in the collagen structure as confirmed by their attenuated total reflection Fourier transform infrared (ATR-FTIR) bands. The phosphorylation and mangosteen addition increased the thermal stability of the collagen triple helix structure, as demonstrated by differential scanning calorimetry (DSC) and thermogravimetry (TGA) characterizations. Mineralization was successfully achieved, and the presence of calcium phosphate was visualized by scanning electron microscopy (SEM). Nevertheless, the porous structure was maintained, which is an essential characteristic for the desired application. The deposited mineral was amorphous calcium phosphate, as confirmed by energy dispersive X-ray spectroscopy (EDX) results.
Comparison of CO2 Reduction Performance with NH3 and H2O between Cu/TiO2 and Pd/TiO2
Authors: Nishimura Akira , Shimada Ryouga , Sakakibara Yoshito , Koshio Akira , Hu Eric
Published: May 2021

The aim of this study is to clarify the effect of doped metal type on CO2 reduction characteristics of TiO2 with NH3 and H2O. Cu and Pd have been selected as dopants for TiO2. In addition, the impact of molar ratio of CO2 to reductants NH3 and H2O has been investigated. A TiO2 photocatalyst was prepared by a sol-gel and dip-coating process, and then doped with Cu or Pd fine particles by using the pulse arc plasma gun method. The prepared Cu/TiO2 film and Pd/TiO2 film were characterized by SEM, EPMA, TEM, STEM, EDX, EDS and EELS. This study also has investigated the performance of CO2 reduction under the illumination condition of Xe lamp with or without ultraviolet (UV) light. As a result, it is revealed that the CO2 reduction performance with Cu/TiO2 under the illumination condition of Xe lamp with UV light is the highest when the molar ratio of CO2/NH3/H2O = 1:1:1 while that without UV light is the highest when the molar ratio of CO2/NH3/H2O = 1:0.5:0.5. It is revealed that the CO2 reduction performance of Pd/TiO2 is the highest for the molar ratio of CO2/NH3/H2O = 1:1:1 no matter the used Xe lamp was with or without UV light. The molar quantity of CO per unit weight of photocatalyst for Cu/TiO2 produced under the illumination condition of Xe lamp with UV light was 10.2 μmol/g, while that for Pd/TiO2 was 5.5 μmol/g. Meanwhile, the molar quantity of CO per unit weight of photocatalyst for Cu/TiO2 produced under the illumination condition of Xe lamp without UV light was 2.5 μmol/g, while that for Pd/TiO2 was 3.5 μmol/g. This study has concluded that Cu/TiO2 is superior to Pd/TiO2 from the viewpoint of the molar quantity of CO per unit weight of photocatalyst as well as the quantum efficiency.
Preparation, Characterization, and In Vivo Evaluation of Amorphous Icaritin Nanoparticles Prepared by a Reactive Precipitation Technique
Authors: Tang Cheng , Meng Kun , Chen Xiaoming , Yao Hua , Kong Junqiong , Li Fusu , Yin Haiyan , Jin Mingji , Liang Hao , Yuan Qipeng
Published: May 2021

Icaritin is a promising anti-hepatoma drug that is currently being tested in a phase-III clinical trial. A novel combination of amorphization and nanonization was used to enhance the oral bioavailability of icaritin. Amorphous icaritin nanoparticles (AINs) were prepared by a reactive precipitation technique (RPT). Fourier transform infrared spectrometry was used to investigate the mechanism underlying the formation of amorphous nanoparticles. AINs were characterized via scanning electron microscopy, X-ray powder diffraction, and differential scanning calorimetry. Our prepared AINs were also evaluated for their dissolution rates in vitro and oral bioavailability. The resultant nanosized AINs (64 nm) were amorphous and exhibited a higher dissolution rate than that derived from a previous oil-suspension formulation. Fourier transform infrared spectroscopy (FTIR) revealed that the C=O groups from the hydrophilic chain of polymers and the OH groups from icaritin formed hydrogen bonds that inhibited AIN crystallization and aggregation. Furthermore, an oral administration assay in beagle dogs showed that Cmax and AUClast of the dried AINs formulation were 3.3-fold and 4.5-fold higher than those of the oil-suspension preparation (p < 0.01), respectively. Our results demonstrate that the preparation of amorphous drug nanoparticles via our RPT may be a promising technique for improving the oral bioavailability of poorly water-soluble drugs.
Evaluation of Anthocyanin Profile and Color in Sweet Cherry Wine: Effect of Sinapic Acid and Grape Tannins during Aging
Authors: Li Mingyue , Zhao Xinjie , Sun Yuxia , Yang Zhen , Han Guomin , Yang Xue
Published: May 2021

Cherries are rich in bioactive phenolic compounds and are often fermented into cherry wines. The degradation of anthocyanins during storage will cause color deterioration. The study aimed to utilize sinapic acid and grape tannins in cherry wine to maintain a high fraction in the colored forms of anthocyanins, in order to maximize the color intensity, the latter being associated with good product quality. The effects on the anthocyanin profile and on color parameters of copigments, utilizing spectral measurement combined with UPLC-MS quantitative analysis, have been evaluated in sweet cherry wines. The copigmentation effect of sinapic acid and grape tannin was accompanied by the bathochromic shift and the hyperchromic effect, which lead to an increase in color intensity (lower L*, higher a* and b*). During the aging process, sinapic and grape tannin increased the content of pyranoanthocyanins in cherry wine, especially the addition of sinapic acid makes the cherry wine generate 10-syringyl-pyranocyanidin-3-rutinoside. These results demonstrate that sinapic acid is suitable for adding before alcohol fermentation, while grape tannins can be added before aging.
Force Field Parameters for Fe2+4S2−4 Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In Silico Pharmacogenomics Studies
Authors: Tendwa Maureen Bilinga , Chebon-Bore Lorna , Lobb Kevin , Musyoka Thommas Mutemi , Tastan Bishop Özlem
Published: May 2021

The dimeric dihydropyrimidine dehydrogenase (DPD), metalloenzyme, an adjunct anti-cancer drug target, contains highly specialized 4 × Fe2+4S2−4 clusters per chain. These clusters facilitate the catalysis of the rate-limiting step in the pyrimidine degradation pathway through a harmonized electron transfer cascade that triggers a redox catabolic reaction. In the process, the bulk of the administered 5-fluorouracil (5-FU) cancer drug is inactivated, while a small proportion is activated to nucleic acid antimetabolites. The occurrence of missense mutations in DPD protein within the general population, including those of African descent, has adverse toxicity effects due to altered 5-FU metabolism. Thus, deciphering mutation effects on protein structure and function is vital, especially for precision medicine purposes. We previously proposed combining molecular dynamics (MD) and dynamic residue network (DRN) analysis to decipher the molecular mechanisms of missense mutations in other proteins. However, the presence of Fe2+4S2−4 clusters in DPD poses a challenge for such in silico studies. The existing AMBER force field parameters cannot accurately describe the Fe2+ center coordination exhibited by this enzyme. Therefore, this study aimed to derive AMBER force field parameters for DPD enzyme Fe2+ centers, using the original Seminario method and the collation features Visual Force Field Derivation Toolkit as a supportive approach. All-atom MD simulations were performed to validate the results. Both approaches generated similar force field parameters, which accurately described the human DPD protein Fe2+4S2−4 cluster architecture. This information is crucial and opens new avenues for in silico cancer pharmacogenomics and drug discovery related research on 5-FU drug efficacy and toxicity issues.
Propolis Extract and Its Bioactive Compounds—From Traditional to Modern Extraction Technologies
Authors: Šuran Jelena , Cepanec Ivica , Mašek Tomislav , Radić Božo , Radić Saša , Tlak Gajger Ivana , Vlainić Josipa
Published: May 2021

Propolis is a honeybee product known for its antioxidant, anti-inflammatory, anticancer, and antimicrobial effects. It is rich in bioactive molecules whose content varies depending on the botanical and geographical origin of propolis. These bioactive molecules have been studied individually and as a part of propolis extracts, as they can be used as representative markers for propolis standardization. Here, we compare the pharmacological effects of representative polyphenols and whole propolis extracts. Based on the literature data, polyphenols and extracts act by suppressing similar targets, from pro-inflammatory TNF/NF-κB to the pro-proliferative MAPK/ERK pathway. In addition, they activate similar antioxidant mechanisms of action, like Nrf2-ARE intracellular antioxidant pathway, and they all have antimicrobial activity. These similarities do not imply that we should attribute the action of propolis solely to the most representative compounds. Moreover, its pharmacological effects will depend on the efficacy of these compounds’ extraction. Thus, we also give an overview of different propolis extraction technologies, from traditional to modern ones, which are environmentally friendlier. These technologies belong to an open research area that needs further effective solutions in terms of well-standardized liquid and solid extracts, which would be reliable in their pharmacological effects, environmentally friendly, and sustainable for production.
Synthesis of New Functionally Substituted 9-Azabicyclo[4.2.1]nona-2,4,7-trienes by Cobalt(I)-Catalyzed [6π + 2π]-Cycloaddition of N-Carbocholesteroxyazepine to Alkynes
Authors: Kadikova Gulnara N. , D’yakonov Vladimir A. , Dzhemilev Usein M.
Published: May 2021

Catalytic [6π + 2π]-cycloaddition of N-carbocholesteroxyazepine with functionally substituted terminal alkynes and 1,4-butynediol was performed for the first time under the action of the Co(acac)2(dppe)/Zn/ZnI2 three-component catalytic system. The reaction gave previously undescribed but promising 9-azabicyclo[4.2.1]nona-2,4,7-trienes (in 79–95% yields), covalently bound to a natural metabolite, cholesterol. The structure of the synthesized azabicycles was confirmed by analysis of one- and two-dimensional (1H, 13C, DEPT 13C, COSY, NOESY, HSQC, HMBC) NMR spectra.
Impacts of Amplitude and Local Thermal Non-Equilibrium Design on Natural Convection within NanoflUid Superposed Wavy Porous Layers
Authors: Alsabery Ammar I. , Tayebi Tahar , Abosinnee Ali S. , Raizah Zehba A. S. , Chamkha Ali J. , Hashim Ishak
Published: May 2021

A numerical study is presented for the thermo-free convection inside a cavity with vertical corrugated walls consisting of a solid part of fixed thickness, a part of porous media filled with a nanofluid, and a third part filled with a nanofluid. Alumina nanoparticle water-based nanofluid is used as a working fluid. The cavity’s wavy vertical surfaces are subjected to various temperature values, hot to the left and cold to the right. In order to generate a free-convective flow, the horizontal walls are kept adiabatic. For the porous medium, the Local Thermal Non-Equilibrium (LTNE) model is used. The method of solving the problem’s governing equations is the Galerkin weighted residual finite elements method. The results report the impact of the active parameters on the thermo-free convective flow and heat transfer features. The obtained results show that the high Darcy number and the porous media’s low modified thermal conductivity ratio have important roles for the local thermal non-equilibrium effects. The heat transfer rates through the nanofluid and solid phases are found to be better for high values of the undulation amplitude, the Darcy number, and the volume fraction of the nanofluid, while a limit in the increase of heat transfer rate through the solid phase with the modified thermal ratio is found, particularly for high values of porosity. Furthermore, as the porosity rises, the nanofluid and solid phases’ heat transfer rates decline for low Darcy numbers and increase for high Darcy numbers.