bluuebunny/crossref_metadata_2025 huggingface dataset:
Possible Spillover of Pathogens between Bee Communities Foraging on the Same Floral Resource
Authors: Dalmon Anne , Diévart Virgine , Thomasson Maxime , Fouque Romain , Vaissière Bernard E. , Guilbaud Laurent , Le Conte Yves , Henry Mickaël
Published: January 2021

Viruses are known to contribute to bee population decline. Possible spillover is suspected from the co-occurrence of viruses in wild bees and honey bees. In order to study the risk of virus transmission between wild and managed bee species sharing the same floral resource, we tried to maximize the possible cross-infections using Phacelia tanacetifolia, which is highly attractive to honey bees and a broad range of wild bee species. Virus prevalence was compared over two years in Southern France. A total of 1137 wild bees from 29 wild bee species (based on COI barcoding) and 920 honey bees (Apis mellifera) were checked for the seven most common honey bee RNA viruses. Halictid bees were the most abundant. Co-infections were frequent, and Sacbrood virus (SBV), Black queen cell virus (BQCV), Acute bee paralysis virus (ABPV) and Israeli acute paralysis virus (IAPV) were widespread in the hymenopteran pollinator community. Conversely, Deformed wing virus (DWV) was detected at low levels in wild bees, whereas it was highly prevalent in honey bees (78.3% of the samples). Both wild bee and honey bee virus isolates were sequenced to look for possible host-specificity or geographical structuring. ABPV phylogeny suggested a specific cluster for Eucera bees, while isolates of DWV from bumble bees (Bombus spp.) clustered together with honey bee isolates, suggesting a possible spillover.
Treatment of Anaemia in Patients with Acute Burn Injury: A Study of Blood Transfusion Practices
Authors: Tichil Ioana , Rosenblum Samara , Paul Eldho , Cleland Heather
Published: January 2021

Objective: To determine blood transfusion practices, risk factors, and outcomes associated with the use of blood products in the setting of the acute management of burn patients at the Victorian Adult Burn Service. Background: Patients with burn injuries have variable transfusion requirements, based on a multitude of factors. We reviewed all acute admissions to the Victorian Adult Burns Service (VABS) between 2011 and 2017: 1636 patients in total, of whom 948 had surgery and were the focus of our analysis. Method and results: Patient demographics, surgical management, transfusion details, and outcome parameters were collected and analyzed. A total of 175 patients out of the 948 who had surgery also had a blood transfusion, while 52% of transfusions occurred in the perioperative period. The median trigger haemoglobin in perioperative was 80mg/dL (IQR = 76–84.9 mg/dL), and in the non-perioperative setting was 77 mg/dL (IQR = 71.61–80.84 mg/dL). Age, gender, % total body surface area (TBSA) burn, number of surgeries, and intensive care unit and hospital length of stay were associated with transfusion. Conclusions: The use of blood transfusions is an essential component of the surgical management of major burns. As observed in our study, half of these transfusions are related to surgical procedures and may be influenced by the employment of blood conserving strategies. Furthermore, transfusion trigger levels in stable patients may be amenable to review and reduction. Risk adjusted analysis can support the implementation of blood transfusion as a useful quality indicator in burn care.
Intelligent Machine Vision Model for Defective Product Inspection Based on Machine Learning
Authors: Benbarrad Tajeddine , Salhaoui Marouane , Kenitar Soukaina Bakhat , Arioua Mounir
Published: January 2021

Quality control is one of the industrial tasks most susceptible to be improved by implementing technological innovations. As an innovative technology, machine vision enables reliable and fast 24/7 inspections and helps producers to improve the efficiency of manufacturing operations. The accessible data by vision equipment will be used to identify and report defective products, understand the causes of deficiencies and allow rapid and efficient intervention in smart factories. From this perspective, the proposed machine vision model in this paper combines the identification of defective products and the continuous improvement of manufacturing processes by predicting the most suitable parameters of production processes to obtain a defect-free item. The suggested model exploits all generated data by various integrated technologies in the manufacturing chain, thus meeting the requirements of quality management in the context of Industry 4.0, based on predictive analysis to identify patterns in data and suggest corrective actions to ensure product quality. In addition, a comparative study between several machine learning algorithms, both for product classification and process improvement models, is performed in order to evaluate the designed system. The results of this study show that the proposed model largely meets the requirements for the proper implementation of these techniques.
A Rapid PCR-Free Next-Generation Sequencing Method for the Detection of Copy Number Variations in Prenatal Samples
Authors: Zhou Xiya , Chen Xiangbin , Jiang Yulin , Qi Qingwei , Hao Na , Liu Chengkun , Xu Mengnan , Cram David S. , Liu Juntao
Published: January 2021

Next-generation sequencing (NGS) is emerging as a new method for the detection of clinically significant copy number variants (CNVs). In this study, we developed and validated rapid CNV-sequencing (rCNV-seq) for clinical application in prenatal diagnosis. Low-pass whole-genome sequencing was performed on PCR libraries prepared from amniocyte genomic DNA. From 10–40 ng of input DNA, PCR-free libraries consistently produced sequencing data with high unique read mapping ratios, low read redundancy, low coefficient of variation for all chromosomes and high genomic coverage. In validation studies, reliable and accurate CNV detection using PCR-free-based rCNV-seq was demonstrated for a range of common trisomies and sex chromosome aneuploidies as well as microdeletion and duplication syndromes. In reproducibility studies, CNV copy number and genomic intervals closely matched those defined by chromosome microarray analysis. Clinical testing of genomic DNA samples from 217 women referred for prenatal diagnosis identified eight samples (3.7%) with known chromosome disorders. We conclude that PCR-free-based rCNV-seq is a sensitive, specific, reproducible and efficient method that can be used in any NGS-based diagnostic laboratory for detection of clinically significant CNVs.
Unlocking the Diversity of Pyrroloiminoquinones Produced by Latrunculid Sponge Species
Authors: Kalinski Jarmo-Charles J. , Krause Rui W. M. , Parker-Nance Shirley , Waterworth Samantha C. , Dorrington Rosemary A.
Published: January 2021

Sponges of the Latrunculiidae family produce bioactive pyrroloiminoquinone alkaloids including makaluvamines, discorhabdins, and tsitsikammamines. The aim of this study was to use LC-ESI-MS/MS-driven molecular networking to characterize the pyrroloiminoquinone secondary metabolites produced by six latrunculid species. These are Tsitsikamma favus, Tsitsikamma pedunculata, Cyclacanthia bellae, and Latrunculia apicalis as well as the recently discovered species, Tsitsikamma nguni and Tsitsikamma michaeli. Organic extracts of 43 sponges were analyzed, revealing distinct species-specific chemical profiles. More than 200 known and unknown putative pyrroloiminoquinones and related compounds were detected, including unprecedented makaluvamine-discorhabdin adducts and hydroxylated discorhabdin I derivatives. The chemical profiles of the new species T. nguni closely resembled those of the known T. favus (chemotype I), but with a higher abundance of tsitsikammamines vs. discorhabdins. T. michaeli sponges displayed two distinct chemical profiles, either producing mostly the same discorhabdins as T. favus (chemotype I) or non- or monobrominated, hydroxylated discorhabdins. C. bellae and L. apicalis produced similar pyrroloiminoquinone chemistry to one another, characterized by sulfur-containing discorhabdins and related adducts and oligomers. This study highlights the variability of pyrroloiminoquinone production by latrunculid species, identifies novel isolation targets, and offers fundamental insights into the collision-induced dissociation of pyrroloiminoquinones.
Screening of Marine Bioactive Antimicrobial Compounds for Plant Pathogens
Authors: Li Xiaohui , Zhao Hejing , Chen Xiaolin
Published: January 2021

Plant diseases have been threatening food production. Controlling plant pathogens has become an important strategy to ensure food security. Although chemical control is an effective disease control strategy, its application is limited by many problems, such as environmental impact and pathogen resistance. In order to overcome these problems, it is necessary to develop more chemical reagents with new functional mechanisms. Due to their special living environment, marine organisms have produced a variety of bioactive compounds with novel structures, which have the potential to develop new fungicides. In the past two decades, screening marine bioactive compounds to inhibit plant pathogens has been a hot topic. In this review, we summarize the screening methods of marine active substances from plant pathogens, the identification of marine active substances from different sources, and the structure and antibacterial mechanism of marine active natural products. Finally, the application prospect of marine bioactive substances in plant disease control was prospected.
Copper-Modified Polymeric Membranes for Water Treatment: A Comprehensive Review
Authors: García Andreina , Rodríguez Bárbara , Giraldo Hugo , Quintero Yurieth , Quezada Rodrigo , Hassan Natalia , Estay Humberto
Published: January 2021

In the last decades, the incorporation of copper in polymeric membranes for water treatment has received greater attention, as an innovative potential solution against biofouling formation on membranes, as well as, by its ability to improve other relevant membrane properties. Copper has attractive characteristics: excellent antimicrobial activity, high natural abundance, low cost and the existence of multiple cost-effective synthesis routes for obtaining copper-based materials with tunable characteristics, which favor their incorporation into polymeric membranes. This study presents a comprehensive analysis of the progress made in the area regarding modified membranes for water treatment when incorporating copper. The notable use of copper materials (metallic and oxide nanoparticles, salts, composites, metal-polymer complexes, coordination polymers) for modifying microfiltration (MF), ultrafiltration (UF), nanofiltration (NF), forward osmosis (FO) and reverse osmosis (RO) membranes have been identified. Antibacterial and anti-fouling effect, hydrophilicity increase, improvements of the water flux, the rejection of compounds capacity and structural membrane parameters and the reduction of concentration polarization phenomena are some outstanding properties that improved. Moreover, the study acknowledges different membrane modification approaches to incorporate copper, such as, the incorporation during the membrane synthesis process (immobilization in polymer and phase inversion) or its surface modification using physical (coating, layer by layer assembly and electrospinning) and chemical (grafting, one-pot chelating, co-deposition and mussel-inspired PDA) surface modification techniques. Thus, the advantages and limitations of these modifications and their methods with insights towards a possible industrial applicability are presented. Furthermore, when copper was incorporated into membrane matrices, the study identified relevant detrimental consequences with potential to be solved, such as formation of defects, pore block, and nanoparticles agglomeration during their fabrication. Among others, the low modification stability, the uncontrolled copper ion releasing or leaching of incorporated copper material are also identified concerns. Thus, this article offers modification strategies that allow an effective copper incorporation on these polymeric membranes and solve these hinders. The article finishes with some claims about scaling up the implementation process, including long-term performance under real conditions, feasibility of production at large scale, and assessment of environmental impact.
Polydopamine-Assisted Two-Dimensional Molybdenum Disulfide (MoS2)-Modified PES Tight Ultrafiltration Mixed-Matrix Membranes: Enhanced Dye Separation Performance
Authors: Tian Huali , Wu Xing , Zhang Kaisong
Published: January 2021

Tight ultrafiltration (TUF) membranes with high performance have attracted more and more attention in the separation of organic molecules. To improve membrane performance, some methods such as interface polymerization have been applied. However, these approaches have complex operation procedures. In this study, a polydopamine (PDA) modified MoS2 (MoS2@PDA) blending polyethersulfone (PES) membrane with smaller pore size and excellent selectivity was fabricated by a simple phase inversion method. The molecular weight cut-off (MWCO) of as-prepared MoS2@PDA mixed matrix membranes (MMMs) changes, and the effective separation of dye molecules in MoS2@PDA MMMs with different concentrations were obtained. The addition amount of MoS2@PDA increased from 0 to 4.5 wt %, resulting in a series of membranes with the MWCO values of 7402.29, 7007.89, 5803.58, 5589.50, 6632.77, and 6664.55 Da. The MWCO of the membrane M3 (3.0 wt %) was the lowest, the pore size was defined as 2.62 nm, and the pure water flux was 42.0 L m−2 h−1 bar−1. The rejection of Chromotrope 2B (C2B), Reactive Blue 4 (RB4), and Janus Green B (JGB) in aqueous solution with different concentrations of dyes was better than that of unmodified membrane. The separation effect of M3 and M0 on JGB at different pH values was also investigated. The rejection rate of M3 to JGB was higher than M0 at different pH ranges from 3 to 11. The rejection of M3 was 98.17–99.88%. When pH was 11, the rejection of membranes decreased with the extension of separation time. Specifically, at 180 min, the rejection of M0 and M3 dropped to 77.59% and 88.61%, respectively. In addition, the membrane had a very low retention of salt ions, Nacl 1.58%, Na2SO4 10.52%, MgSO4 4.64%, and MgCl2 1.55%, reflecting the potential for separating salts and dyes of MoS2@PDA/PES MMMs.
Martensitic Transformation and Metamagnetic Transition in Co-V-(Si, Al) Heusler Alloys
Authors: Nakamura Kousuke , Miyake Atsushi , Xu Xiao , Omori Toshihiro , Tokunaga Masashi , Kainuma Ryosuke
Published: January 2021

This study investigates the crystal structure, martensitic transformation behavior, magnetic properties, and magnetic-field-induced reverse martensitic transformation of Co64V15(Si21–xAlx) alloys. It was found that by increasing the Al composition, the microstructure changes from the martensite phase to the parent phase. The crystal structures of the martensite and parent phases were determined as D022 and L21, respectively. Thermoanalysis and thermomagnetization measurements were used to determine the martensitic transformation and Curie temperatures. Both the ferromagnetic state of the parent phase and that of the martensite phase were observed. With the increasing Al contents, the martensitic transformation temperatures decrease, whereas the Curie temperatures of both the martensite and parent phases increase. The spontaneous magnetization and its composition dependence were also determined. The magnetic-field-induced reverse martensitic transformation of a Co64V15Si7Al14 alloy under pulsed high magnetic fields was observed. Moreover, using the results of the DSC measurements and the pulsed high magnetization measurements, the temperature dependence of the transformation entropy change of the Co-V-Si-Al alloys was estimated.
Effects of Incorporating Β-Tricalcium Phosphate with Reaction Sintering into Mg-Based Composites on Degradation and Mechanical Integrity
Authors: Narita Kai , Hiromoto Sachiko , Kobayashi Equo , Sato Tatsuo
Published: January 2021

For applications of biodegradable load-bearing implants, we incorporated 10 or 20 vol% β-tricalcium phosphate (β-TCP) into Mg-based composites through reaction sintering in the spark plasma sintering process. We previously reported that the evolved microstructure enhanced mechanical properties before degradation and modified in vitro degradation behaviors. In this study, immersion tests in physiological saline and subsequent compression tests in the air were conducted to investigate the effects of degradation on mechanical integrity. In the immersion tests, Mg/β-TCP composites showed no visible disintegration of sintered particles due to interfacial strength enhanced by reaction sintering. Local corrosion was observed in the Mg matrix adjacent to the reaction products. In addition, Mg/10% β-TCP showed dense degradation products of Mg(OH)2 compared with Mg and Mg/20% β-TCP. Those degradation behaviors resulted in reducing the effective load transfer from the Mg matrix to the reaction products as reinforcement. The yield strength decreased by 18.1% for Mg/10% β-TCP and 70.9% for Mg/20% β-TCP after six days of immersion. These results can give a broad view of designing spark plasma sintered Mg/bioceramic composites with the consideration of mechanical integrity.
Special Issue: Islet Inflammation and Metabolic Homeostasis
Authors: Burke Susan J. , Collier J. Jason
Published: January 2021

This special issue was commissioned to offer a source of distinct viewpoints and novel data that capture some of the subtleties of the pancreatic islet, especially in relation to adaptive changes that influence metabolic homeostasis [...]
Comparative Metabolomic Profiling of Citrullus spp. Fruits Provides Evidence for Metabolomic Divergence during Domestication
Authors: Yuan Pingli , He Nan , Umer Muhammad Jawad , Zhao Shengjie , Diao Weinan , Zhu Hongju , Dou Junling , Kaseb Mohamed Omar , Kuang Hanhui , Lu Xuqiang , Liu Wenge
Published: January 2021

Watermelon (Citrullus lanatus) is one of the most nutritional fruits that is widely distributed in the whole world. The nutritional compositions are mainly influenced by the genotype and environment. However, the metabolomics of different domestication status and different flesh colors watermelon types is not fully understood. In this study, we reported an extensive assessment of metabolomic divergence in the fruit flesh among Citrullus sp. and within Citrullus sp. We demonstrate that metabolic profiling was significantly different between the wild and cultivated watermelons, the apigenin 6-C-glucoside, luteolin 6-C-glucoside, chrysoeriol C-hexoside, naringenin C-hexoside, C-pentosyl-chrysoeriol O-hexoside, and sucrose are the main divergent metabolites. Correlation analysis results revealed that flavonoids were present in one tight metabolite cluster. The main divergent metabolites in different flesh-colored cultivated watermelon fruits are p-coumaric acid, 2,3-dihydroflavone, catechin, N-(3-indolylacetyl)-l-alanine, 3,4-dihydroxycinnamic acid, and pelargonidin o-hexoside. A total of 431 differentially accumulated metabolites were identified from pairwise comparative analyses. C. lanatus edible-seed watermelon (cultivars) and C. mucosospermus (wild) have similar fruit metabolic profiles and phenotypic traits, indicating that edible-seed watermelon may be a relative of wild species and a relatively primitive differentiation type of cultivated watermelon. Our data provide extensive knowledge for metabolomics-based watermelon improvement of Citrullus fruits meet their enhanced nutritive properties or upgraded germplasm utility values.
Metabolic Control of m6A RNA Modification
Authors: Kim Joohwan , Lee Gina
Published: January 2021

Nutrients and metabolic pathways regulate cell growth and cell fate decisions via epigenetic modification of DNA and histones. Another key genetic material, RNA, also contains diverse chemical modifications. Among these, N6-methyladenosine (m6A) is the most prevalent and evolutionarily conserved RNA modification. It functions in various aspects of developmental and disease states, by controlling RNA metabolism, such as stability and translation. Similar to other epigenetic processes, m6A modification is regulated by specific enzymes, including writers (methyltransferases), erasers (demethylases), and readers (m6A-binding proteins). As this is a reversible enzymatic process, metabolites can directly influence the flux of this reaction by serving as substrates and/or allosteric regulators. In this review, we will discuss recent understanding of the regulation of m6A RNA modification by metabolites, nutrients, and cellular metabolic pathways.
Experimental Analysis of Laser Micromachining of Microchannels in Common Microfluidic Substrates
Authors: Konari Prashanth Reddy , Clayton Yung-Dai , Vaughan Melville B. , Khandaker Morshed , Hossan Mohammad Robiul
Published: January 2021

Laser micromachining technique offers a promising alternative method for rapid production of microfluidic devices. However, the effect of process parameters on the channel geometry and quality of channels on common microfluidic substrates has not been fully understood yet. In this research, we studied the effect of laser system parameters on the microchannel characteristics of Polydimethylsiloxane (PDMS), polymethyl methacrylate (PMMA), and microscope glass substrate—three most widely used materials for microchannels. We also conducted a cell adhesion experiment using normal human dermal fibroblasts on laser-machined microchannels on these substrates. A commercial CO2 laser system consisting of a 45W laser tube, circulating water loop within the laser tube and air cooling of the substrate was used for machining microchannels in PDMS, PMMA and glass. Four laser system parameters—speed, power, focal distance, and number of passes were varied to fabricate straight microchannels. The channel characteristics such as depth, width, and shape were measured using a scanning electron microscope (SEM) and a 3D profilometer. The results show that higher speed produces lower depth while higher laser power produces deeper channels regardless of the substrate materials. Unfocused laser machining produces wider but shallower channels. For the same speed and power, PDMS channels were the widest while PMMA channels were the deepest. Results also showed that the profiles of microchannels can be controlled by increasing the number of passes. With an increased number of passes, both glass and PDMS produced uniform, wider, and more circular channels; in contrast, PMMA channels were sharper at the bottom and skewed. In rapid cell adhesion experiments, PDMS and glass microchannels performed better than PMMA microchannels. This study can serve as a quick reference in material-specific laser-based microchannel fabrications.
Tissue Chips and Microphysiological Systems for Disease Modeling and Drug Testing
Authors: Donoghue Leslie , Nguyen Khanh T. , Graham Caleb , Sethu Palaniappan
Published: January 2021

Tissue chips (TCs) and microphysiological systems (MPSs) that incorporate human cells are novel platforms to model disease and screen drugs and provide an alternative to traditional animal studies. This review highlights the basic definitions of TCs and MPSs, examines four major organs/tissues, identifies critical parameters for organization and function (tissue organization, blood flow, and physical stresses), reviews current microfluidic approaches to recreate tissues, and discusses current shortcomings and future directions for the development and application of these technologies. The organs emphasized are those involved in the metabolism or excretion of drugs (hepatic and renal systems) and organs sensitive to drug toxicity (cardiovascular system). This article examines the microfluidic/microfabrication approaches for each organ individually and identifies specific examples of TCs. This review will provide an excellent starting point for understanding, designing, and constructing novel TCs for possible integration within MPS.
Large-Scale Piezoelectric-Based Systems for More Electric Aircraft Applications
Authors: Vo Tran Vy Khanh , Lubecki Tomasz Marek , Chow Wai Tuck , Gupta Amit , Li King Ho Holden
Published: January 2021

A new approach in the development of aircraft and aerospace industry is geared toward increasing use of electric systems. An electromechanical (EM) piezoelectric-based system is one of the potential technologies that can produce a compactable system with a fast response and a high power density. However, piezoelectric materials generate a small strain, of around 0.1–0.2% of the original actuator length, limiting their potential in large-scale applications. This paper reviews the potential amplification mechanisms for piezoelectric-based systems targeting aerospace applications. The concepts, structural designs, and operation conditions of each method are summarized and compared. This review aims to provide a good understanding of piezoelectric-based systems toward selecting suitable designs for potential aerospace applications and an outlook for novel designs in the near future.
Distribution and Mode of Occurrence of Co, Ni, Cu, Zn, As, Ag, Cd, Sb, Pb in the Feed Coal, Fly Ash, Slag, in the Topsoil and in the Roots of Trees and Undergrowth Downwind of Three Power Stations in Poland
Authors: Parzentny Henryk R. , Róg Leokadia
Published: January 2021

It is supposed that the determination of the content and the mode of occurrence of ecotoxic elements (EE) in feed coal play the most significant role in forecasting distribution of EE in the soil and plants in the vicinity of power stations. Hence, the aim of the work was to analyze the properties of the feed coal, the combustion residues, and the topsoil which are reached by EE together with dust from power stations. The mineral and organic phases, which are the main hosts of EE, were identified by microscopy, X-ray powder diffraction, inductively coupled plasma atomic emission spectrometry, and scanning electron microscope with an energy dispersive X-ray methods. The highest content of elements was observed in the Oi and Oe subhorizons of the topsoil. Their hosts are various types of microspheres and char, emitted by power stations. In the areas of long-term industrial activity, there are also sharp-edged grains of magnetite emitted in the past by zinc, lead, and ironworks. The enrichment of the topsoil with these elements resulted in the increase in the content of EE, by between 0.2 times for Co; and 41.0 times for Cd in the roots of Scots pine, common oak and undergrowth, especially in the rhizodermis and the primary cortex and, more seldom, in the axle roller and cortex cells.
Ocean-Floor Sediments as a Resource of Rare Earth Elements: An Overview of Recently Studied Sites
Authors: Milinovic Jelena , Rodrigues Francisco J. L. , Barriga Fernando J. A. S. , Murton Bramley J.
Published: January 2021

The rare earth elements (REE), comprising 15 elements of the lanthanum series (La-Lu) together with yttrium (Y) and scandium (Sc), have become of particular interest because of their use, for example, in modern communications, renewable energy generation, and the electrification of transport. However, the security of supply of REE is considered to be at risk due to the limited number of sources, with dependence largely on one supplier that produced approximately 63% of all REE in 2019. As a result, there is a growing need to diversify supply. This has resulted in the drive to seek new resources elsewhere, and particularly on the deep-ocean floor. Here, we give a summary of REE distribution in minerals, versatile applications, and an update of their economic value. We present the most typical onshore methods for the determination of REE and examine methods for their offshore exploration in near real time. The motivation for this comes from recent studies over the past decade that showed ΣREE concentrations as high as 22,000 ppm in ocean-floor sediments in the Pacific Ocean. The ocean-floor sediments are evaluated in terms of their potential as resources of REE, while the likely economic cost and environmental impacts of deep-sea mining these are also considered.
Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas
Authors: Lucco Castello Federico , Tolias Panagiotis
Published: January 2021

The mode coupling theory of supercooled liquids is combined with advanced closures to the integral equation theory of liquids in order to estimate the glass transition line of Yukawa one-component plasmas from the unscreened Coulomb limit up to the strong screening regime. The present predictions constitute a major improvement over the current literature predictions. The calculations confirm the validity of an existing analytical parameterization of the glass transition line. It is verified that the glass transition line is an approximate isomorphic curve and the value of the corresponding reduced excess entropy is estimated. Capitalizing on the isomorphic nature of the glass transition line, two structural vitrification indicators are identified that allow a rough estimate of the glass transition point only through simple curve metrics of the static properties of supercooled liquids. The vitrification indicators are demonstrated to be quasi-universal by an investigation of hard sphere and inverse power law supercooled liquids. The straightforward extension of the present results to bi-Yukawa systems is also discussed.
Modulatory and Toxicological Perspectives on the Effects of the Small Molecule Kinetin
Authors: Othman Eman M. , Fathy Moustafa , Bekhit Amany Abdlrehim , Abdel-Razik Abdel-Razik H. , Jamal Arshad , Nazzal Yousef , Shams Shabana , Dandekar Thomas , Naseem Muhammad
Published: January 2021

Plant hormones are small regulatory molecules that exert pharmacological actions in mammalian cells such as anti-oxidative and pro-metabolic effects. Kinetin belongs to the group of plant hormones cytokinin and has been associated with modulatory functions in mammalian cells. The mammalian adenosine receptor (A2a-R) is known to modulate multiple physiological responses in animal cells. Here, we describe that kinetin binds to the adenosine receptor (A2a-R) through the Asn253 residue in an adenosine dependent manner. To harness the beneficial effects of kinetin for future human use, we assess its acute toxicity by analyzing different biochemical and histological markers in rats. Kinetin at a dose below 1 mg/kg had no adverse effects on the serum level of glucose or on the activity of serum alanine transaminase (ALT) or aspartate aminotransferase (AST) enzymes in the kinetin treated rats. Whereas, creatinine levels increased after a kinetin treatment at a dose of 0.5 mg/kg. Furthermore, 5 mg/kg treated kinetin rats showed normal renal corpuscles, but a mild degeneration was observed in the renal glomeruli and renal tubules, as well as few degenerated hepatocytes were also observed in the liver. Kinetin doses below 5 mg/kg did not show any localized toxicity in the liver and kidney tissues. In addition to unraveling the binding interaction between kinetin and A2a-R, our findings suggest safe dose limits for the future use of kinetin as a therapeutic and modulatory agent against various pathophysiological conditions.
Chloroquine and Hydroxychloroquine Interact Differently with ACE2 Domains Reported to Bind with the Coronavirus Spike Protein: Mediation by ACE2 Polymorphism
Authors: Badraoui Riadh , Adnan Mohd , Bardakci Fevzi , Alreshidi Mousa M.
Published: January 2021

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection inducing coronavirus disease 2019 (COVID-19) is still an ongoing challenge. To date, more than 95.4 million have been infected and more than two million deaths have been officially reported by the WHO. Angiotensin-converting enzyme (ACE) plays a key role in the disease pathogenesis. In this computational study, seventeen coding variants were found to be important for ACE2 binding with the coronavirus spike protein. The frequencies of these allele variants range from 3.88 × 10−3 to 5.47 × 10−6 for rs4646116 (K26R) and rs1238146879 (P426A), respectively. Chloroquine (CQ) and its metabolite hydroxychloroquine (HCQ) are mainly used to prevent and treat malaria and rheumatic diseases. They are also used in several countries to treat SARS-CoV-2 infection inducing COVID-19. Both CQ and HCQ were found to interact differently with the various ACE2 domains reported to bind with coronavirus spike protein. A molecular docking approach revealed that intermolecular interactions of both CQ and HCQ exhibited mediation by ACE2 polymorphism. Further explorations of the relationship and the interactions between ACE2 polymorphism and CQ/HCQ would certainly help to better understand the COVID-19 management strategies, particularly their use in the absence of specific vaccines or drugs.
Computational Determination of Potential Multiprotein Targeting Natural Compounds for Rational Drug Design Against SARS-COV-2
Authors: Muhseen Ziyad Tariq , Hameed Alaa R. , Al-Hasani Halah M. H. , Ahmad Sajjad , Li Guanglin
Published: January 2021

SARS-CoV-2 caused the current COVID-19 pandemic and there is an urgent need to explore effective therapeutics that can inhibit enzymes that are imperative in virus reproduction. To this end, we computationally investigated the MPD3 phytochemical database along with the pool of reported natural antiviral compounds with potential to be used as anti-SARS-CoV-2. The docking results demonstrated glycyrrhizin followed by azadirachtanin, mycophenolic acid, kushenol-w and 6-azauridine, as potential candidates. Glycyrrhizin depicted very stable binding mode to the active pocket of the Mpro (binding energy, −8.7 kcal/mol), PLpro (binding energy, −7.9 kcal/mol), and Nucleocapsid (binding energy, −7.9 kcal/mol) enzymes. This compound showed binding with several key residues that are critical to natural substrate binding and functionality to all the receptors. To test docking prediction, the compound with each receptor was subjected to molecular dynamics simulation to characterize the molecule stability and decipher its possible mechanism of binding. Each complex concludes that the receptor dynamics are stable (Mpro (mean RMSD, 0.93 Å), PLpro (mean RMSD, 0.96 Å), and Nucleocapsid (mean RMSD, 3.48 Å)). Moreover, binding free energy analyses such as MMGB/PBSA and WaterSwap were run over selected trajectory snapshots to affirm intermolecular affinity in the complexes. Glycyrrhizin was rescored to form strong affinity complexes with the virus enzymes: Mpro (MMGBSA, −24.42 kcal/mol and MMPBSA, −10.80 kcal/mol), PLpro (MMGBSA, −48.69 kcal/mol and MMPBSA, −38.17 kcal/mol) and Nucleocapsid (MMGBSA, −30.05 kcal/mol and MMPBSA, −25.95 kcal/mol), were dominated mainly by vigorous van der Waals energy. Further affirmation was achieved by WaterSwap absolute binding free energy that concluded all the complexes in good equilibrium and stability (Mpro (mean, −22.44 kcal/mol), PLpro (mean, −25.46 kcal/mol), and Nucleocapsid (mean, −23.30 kcal/mol)). These promising findings substantially advance our understanding of how natural compounds could be shaped to counter SARS-CoV-2 infection.
Effect of Polymer Removal on the Morphology and Phase of the Nanoparticles in All-Inorganic Heterostructures Synthesized via Two-Step Polymer Infiltration
Authors: Berman Diana , Sha Yuchen , Shevchenko Elena V.
Published: January 2021

Polymer templates play an essential role in the robust infiltration-based synthesis of functional multicomponent heterostructures with controlled structure, porosity, and composition. Such heterostructures are be used as hybrid organic–inorganic composites or as all-inorganic systems once the polymer templates are removed. Using iron oxide/alumina heterostructures formed by two-step infiltration of polystyrene-block-polyvinyl pyridine block copolymer with iron and aluminum precursors from the solution and vapor-phases, respectively, we show that the phase and morphology of iron oxide nanoparticles dramatically depend on the approach used to remove the polymer. We demonstrate that thermal and plasma oxidative treatments result in iron oxide nanoparticles with either solid or hollow morphologies, respectively, that lead to different magnetic properties of the resulting materials. Our study extends the boundaries of structure manipulations in multicomponent heterostructures synthesized using polymer infiltration synthesis, and hence their properties.
A Bibliometric Analysis and Review of Supercritical Fluids for the Synthesis of Nanomaterials
Authors: Su Wei , Zhang Hongshuo , Xing Yi , Li Xinyan , Wang Jiaqing , Cai Changqing
Published: January 2021

Since the 1990s, supercritical fluids for the synthesis of nanomaterials have been paid more and more attention by researchers and have gradually become one of the most important ways to prepare nanomaterials. In this study, literature data on “supercritical fluids for the synthesis of nanomaterials” from 1998 to 2020 were obtained from the Web of Science database, and the data were processed and analyzed by the bibliometric method combined with Microsoft office 2019, Origin 2018, VOSviewer, and other software, so as to obtain the research status and development trend of “supercritical fluids for the synthesis of nanomaterials”. The results show that since literature on “supercritical fluids for the synthesis of nanomaterials” appeared for the first time in 1998, the number of articles published every year has risen. In terms of this field, China has become the second-largest publishing country after the United States, and China and the United States display a lot of cooperation and exchanges in this field. “Supercritical CO2”, “supercritical water”, “supercritical antisolvent”, “surface modification”, and so on have become the research hotspots of “supercritical fluids for the synthesis of nanomaterials”.
Nanomaterials Application in Orthodontics
Authors: Zakrzewski Wojciech , Dobrzynski Maciej , Dobrzynski Wojciech , Zawadzka-Knefel Anna , Janecki Mateusz , Kurek Karolina , Lubojanski Adam , Szymonowicz Maria , Rybak Zbigniew , Wiglusz Rafal J.
Published: January 2021

Nanotechnology has gained importance in recent years due to its ability to enhance material properties, including antimicrobial characteristics. Nanotechnology is applicable in various aspects of orthodontics. This scientific work focuses on the concept of nanotechnology and its applications in the field of orthodontics, including, among others, enhancement of antimicrobial characteristics of orthodontic resins, leading to reduction of enamel demineralization or control of friction force during orthodontic movement. The latter one enables effective orthodontic treatment while using less force. Emphasis is put on antimicrobial and mechanical characteristics of nanomaterials during orthodontic treatment. The manuscript sums up the current knowledge about nanomaterials’ influence on orthodontic appliances.
Recent Progress on Vanadium Dioxide Nanostructures and Devices: Fabrication, Properties, Applications and Perspectives
Authors: Zhang Yanqing , Xiong Weiming , Chen Weijin , Zheng Yue
Published: January 2021

Vanadium dioxide (VO2) is a typical metal-insulator transition (MIT) material, which changes from room-temperature monoclinic insulating phase to high-temperature rutile metallic phase. The phase transition of VO2 is accompanied by sudden changes in conductance and optical transmittance. Due to the excellent phase transition characteristics of VO2, it has been widely studied in the applications of electric and optical devices, smart windows, sensors, actuators, etc. In this review, we provide a summary about several phases of VO2 and their corresponding structural features, the typical fabrication methods of VO2 nanostructures (e.g., thin film and low-dimensional structures (LDSs)) and the properties and related applications of VO2. In addition, the challenges and opportunities for VO2 in future studies and applications are also discussed.
Ubrogepant to Treat Acute Migraine in Adults
Authors: Edinoff Amber N. , Casey C. Austin , Colon Marc A. , Zaheri Alexa R. , Gregoire Courtney M. , Bourg Margaret M. , Kaye Alan D. , Kaye Jessica S. , Kaye Adam M. , Kaye Rachel J. , Tirumala Sridhar R. , Viswanath Omar , Urits Ivan
Published: January 2021

Migraine is a neurobiological headache disorder that affects around 16% of adults in the United States. Medical treatment of mild to moderate migraines include non-prescription non-steroidal anti-inflammatory drugs, acetaminophen, or aspirin and caffeine-containing combination analgesics. Additionally, moderate to severe migraines and those that are mild to moderate that have not responded to analgesics can be treated with triptans, which are drugs specific for migraine treatment. Non-pharmacological treatments include cognitive behavioral therapy and relaxation training. Medications for the prevention of migraines have also been developed since they are more affective in offsetting the symptoms. Ubrogepant’s high specificity and selectivity for calcitonin gene-related peptide (CGRP) sets it apart from certain other drugs, which previously limited the treatment of migraines with or without aura due to their decreased selectivity. The most frequently reported side effects are oropharyngeal pain, nasopharyngitis, and headache. Most studies found that participants receiving Ubrogepant were free from pain within 2 h when compared to placebo. Patients taking Ubrogepant should avoid taking it when pregnant or with end stage renal disease. In summary, Ubrogepant has good tolerability and an overall favorable safety profile. It appears to hold promise for the acute treatment of migraines with or without aura in adults.
Composition of Dietary Fatty Acids and Health Risks in Japanese Youths
Authors: Okuda Masayuki , Fujiwara Aya , Sasaki Satoshi
Published: January 2021

In the overall composition of dietary fatty acids (FAs), the quantity of each FA is interrelated with that of others. We examined the associations between dietary FA composition and cardiometabolic risk in Japanese youths. Risk factors (anthropometric characteristics, serum lipid and liver enzyme levels, and blood pressure) were measured in 5485 junior-high-school students. Dietary intake was assessed using a food frequency questionnaire. The mean saturated FA (SFA), monounsaturated FA (MUFA), omega-6 polyunsaturated FAs (PUFAs), and omega-3 PUFAs intake were 9.6%E, 10.3%E, 6.3%E, and 1.1%E, respectively. In compositional regression analysis controlled for confounders, a high intake of omega-6 PUFAs relative to others was associated with low low-density-lipoprotein cholesterol levels (LDL-C; p = 0.003), and relative SFA intake was associated with high levels of gamma-glutamyl transpeptidase (p = 0.019). Relative omega-3 PUFAs intake was associated with low blood pressure (p = 0.005–0.034) but had unfavorable effects on adiposity and alanine transaminase. Substitutional models showed similar results for omega-6 PUFAs on LDL-C, but MUFA had inconsistent effects on risk factors. The results from the compositional data analysis were consistent with previous studies and clinical practice/knowledge. Focusing on increasing omega-6 PUFAs in Japanese youths could have favorable consequences in the long term.
Feeding Your Himalayan Expedition: Nutritional Signatures and Body Composition Adaptations of Trekkers and Porters
Authors: Bondi Danilo , Aloisi Anna Maria , Pietrangelo Tiziana , Piccinelli Raffaela , Le Donne Cinzia , Jandova Tereza , Pieretti Stefano , Taraborrelli Mattia , Santangelo Carmen , Lattanzi Bruna , Verratti Vittore
Published: January 2021

High-altitude exposure leads to many physiological challenges, such as weight loss and dehydration. However, little attention has been posed to the role of nutrition and ethnic differences. Aiming to fulfill this gap, five Italian trekkers and seven Nepalese porters, all males, recorded their diet in diaries during a Himalayan expedition (19 days), and the average daily intake of micro and macro-nutrients were calculated. Bioimpedance analysis was performed five times during the trek; muscle ultrasound was performed before and after the expedition, only for the Italians. The Nepalese group consumed a lot of rice and only Italians consumed cheese. Water intake was slightly over 3000 g/d for both groups. Nepalese diet had a higher density of dietary fibre and lower density of riboflavin, vitamins A, K, and B12. Intake of calcium was lower than recommended levels. Body mass index, waist circumference, fat-free mass, and total body water decreased in both groups, whereas resistance (Rz) increased. Italians reactance (Xc) increased at day 9, whereas that of Nepalese occurred at days 5, 9, and 16. The cross-sectional area of the Vastus lateralis was reduced after the expedition. Specific nutritional and food-related risk factors guidance is needed for diverse expedition groups. Loss of muscle mass and balance of fluids both deserve a particular focus as concerns altitude expeditions.
Micronutrients, Phytochemicals and Mediterranean Diet: A Potential Protective Role against COVID-19 through Modulation of PAF Actions and Metabolism
Authors: Detopoulou Paraskevi , Demopoulos Constantinos A. , Antonopoulou Smaragdi
Published: January 2021

The new coronavirus disease 2019 (COVID-19) pandemic is an emerging situation with high rates of morbidity and mortality, in the pathophysiology of which inflammation and thrombosis are implicated. The disease is directly connected to the nutritional status of patients and a well-balanced diet is recommended by official sources. Recently, the role of platelet activating factor (PAF) was suggested in the pathogenesis of COVID-19. In the present review several micronutrients (vitamin A, vitamin C, vitamin E, vitamin D, selenium, omega-3 fatty acids, and minerals), phytochemicals and Mediterranean diet compounds with potential anti-COVID activity are presented. We further underline that the well-known anti-inflammatory and anti-thrombotic actions of the investigated nutrients and/or holistic dietary schemes, such as the Mediterranean diet, are also mediated through PAF. In conclusion, there is no single food to prevent coronavirus Although the relationship between PAF and COVID-19 is not robust, a healthy diet containing PAF inhibitors may target both inflammation and thrombosis and prevent the deleterious effects of COVID-19. The next step is the experimental confirmation or not of the PAF-COVID-19 hypothesis.
Added Sugars in School Meals and the Diets of School-Age Children
Authors: Fox Mary Kay , Gearan Elizabeth C. , Schwartz Colin
Published: January 2021

Research is limited on added sugars in school meals and children’s dietary intakes after the 2015–2020 Dietary Guidelines for Americans (DGA) recommended that added sugars be limited to less than 10% of total calories. This analysis uses data from the School Nutrition and Meal Cost Study (SNMCS) to examine levels of added sugars in: (1) school meals and (2) children’s dietary intakes at breakfast, lunch, and over 24 h on school days. SNMCS data were collected in the 2014–2015 school year after updated nutrition standards for school meals were implemented. Most schools exceeded the DGA limit for added sugars at breakfast (92%), while 69% exceeded the limit at lunch. The leading source of added sugars in school meals (both breakfasts and lunches) was flavored skim milk. More than 62% of children consumed breakfasts that exceeded the DGA limit, and almost half (47%) consumed lunches that exceeded the limit. Leading sources of added sugars in the breakfasts consumed by children were sweetened cold cereals and condiments and toppings; leading sources of added sugars in children’s lunches were flavored skim milk and cake. Over 24 h, 63% of children exceeded the DGA limit. These findings show that school meals and children’s dietary intakes are high in added sugars relative to the DGA limit and provide insights into the types of foods that should be targeted in order to decrease levels of added sugars.