bluuebunny/crossref_metadata_2025 huggingface dataset:
The First Whole Genome Sequence Discovery of the Devastating Fungus Arthrinium rasikravindrae
Authors: Majeedano Abdul Qayoom , Chen Jie , Zhu Tianhui , Li Shujiang , Gishkori Zeeshan Ghulam Nabi , Mastoi Sumbul Mureed , Wang Gang
Published: March 2022

Devastating fungi are one of the most important biotic factors associated with numerous infectious diseases not only in plants but in animals and humans too. Arthrinium rasikravindrae a devastating fungus is responsible for severe infections in a large number of host plants all over the world. In the present study, we analyzed the whole genome sequence of devastating fungus A. rasikravindrae strain AQZ-20, using Illumina Technology from the Novogene Bio-informatics Co., Ltd. Beijing, China. To identify associated annotation results, various corresponding functional annotations databases were utilized. The genome size was 48.24 MB with an N90 (scaffolds) length of 2,184,859 bp and encoded putative genes were 11,101, respectively. In addition, we evaluated the comparative genomic analyses with 4 fungal strains of Ascomycetes. Two related species showed a strong correlation while others exhibited a weak correlation with the A. rasikravindrae AQZ-20 fungus. This study is a discovery of the genome-scale assembly, as well as annotation for A. rasikravindrae. The results obtained from the whole genome sequencing and genomic resources developed in this study will contribute significantly to genetic improvement applications against diseases caused by A. rasikravindrae. In addition, the phylogenetic tree, followed by genomic RNA, transcriptomic, proteomic, metabolic, as well as pathogenic data reported in current research will provide deep insight for further studies in the future.
New Species of Mallocybe and Pseudosperma from North China
Authors: Mao Ning , Xu Yu-Yan , Zhao Tao-Yu , Lv Jing-Chong , Fan Li
Published: March 2022

Within the family Inocybaceae, many species of Mallocybe and Pseudosperma have been reported, but there are only a few reports on these two genera from north China. In this study, six collections of Mallocybe and 11 collections of Pseudosperma were studied by morphological and phylogenetic methods. Phylogenetic analyses based on sequence data from three or two different loci (ITS, LSU, and rpb2 for Mallocybe; ITS and LSU for Pseudosperma) are performed to infer species relationships within genera Mallocybe and Pseudosperma, respectively. Results indicate that eight species of Mallocybe and Pseudosperma are found in Shanxi province, north China; two new species of Mallocybe, M. depressa and M. picea, are described. Overall, six species belong to Pseudosperma, of which three are new: P. gilvum, P. laricis and P. pseudoniveivelatum.
Correlation of Repeat Measurements of 27 Candidate Protein Markers for Colorectal Cancer Screening Taken Three Years and Multiple Freeze–Thaw Cycles Apart
Authors: Bhardwaj Megha , Schrotz-King Petra , Brenner Hermann
Published: March 2022

In recent years the blood proteome has been increasingly researched for biomarkers for early detection of colorectal cancer (CRC). Blood samples from screening studies are often subject to preanalytical variability and repeated freeze–thaw cycles. We aimed to assess the correlation of repeat measurements of 27 candidate protein markers for CRC screening taken three years and multiple freeze–thaw cycles apart. The concentrations of 27 protein markers were measured in plasma samples of 39 newly detected CRC cases from a cohort of 9245 participants of screening colonoscopies. The proteins were measured using proximity extension assays (PEA) carried out on the same set of samples twice, three years apart, with an average of three freeze–thaw cycles in between the two measurements. Pearson’s product moment correlation coefficients were calculated. Correlation coefficients ranged from +0.43 to +0.97, with a median of 0.67 and an interquartile range of +0.58 to +0.84, with all p-values of correlation being <0.01 (<0.0005 for 22 proteins, <0.001 for 4 proteins). Repeat measurements of the 27 protein biomarkers for CRC screening performed three years later, and on average three freeze–thaw cycles apart, showed moderate to high levels of correlation. Apart from the effects of freeze–thaw cycles, slightly different preprocessing performed on the data may have contributed to recorded differences between measurements.
Effectiveness of Prophylactic Human Cytomegalovirus Hyperimmunoglobulin in Preventing Cytomegalovirus Infection following Transplantation: A Systematic Review and Meta-Analysis
Authors: Barten Markus J. , Baldanti Fausto , Staus Alexander , Hüber Christian M. , Glynou Kyriaki , Zuckermann Andreas
Published: March 2022

Cytomegalovirus (CMV) is a common infection occurring in patients undergoing solid organ transplantation (SOT) or hematopoietic stem cell transplantation (HSCT). CMV-specific hyperimmunoglobulin (CMVIG) has been used for the past four decades and is typically administered either prophylactically or pre-emptively. The present meta-analysis evaluated CMV infection rates in SOT patients who received prophylactic CMVIG. PubMed and the Cochrane Library were searched for studies published up to October 2021. The primary endpoint was CMV infection rate. Thirty-two SOT studies were identified (n = 1521 CMVIG-treated and n = 1196 controls). Prophylactic CMVIG treatment was often associated with a lower risk of CMV infection in transplant recipients. The average CMV infection rate was 35.8% (95% confidence interval [CI]: 33.4–38.2%) in patients treated prophylactically with CMVIG and 41.4% (95% CI: 38.6–44.2%) in the control group not receiving CMVIG (p = 0.003). Similar results were observed in analyses limited to publications evaluating currently available CMVIG products (Cytotect CP and Cytogam; p < 0.001). In combination with the established safety profile for CMVIG, these results suggest that prophylactic CMVIG treatment in patients undergoing solid organ transplantation may be beneficial, particularly in those at high risk of CMV infection or disease.
Synthesis and Crystal Structure of 9,12-Dibromo-ortho-Carborane
Authors: Zhidkova Olga B. , Druzina Anna A. , Anufriev Sergey A. , Suponitsky Kyrill Yu. , Sivaev Igor B. , Bregadze Vladimir I.
Published: March 2022

Synthesis, NMR spectral data and crystal structure of 9,12-dibromo derivative of ortho-carborane are reported.
Investigating the Fibrillar Ultrastructure and Mechanics in Keloid Scars Using In Situ Synchrotron X-ray Nanomechanical Imaging
Authors: Zhang Yuezhou , Hollis Dave , Ross Rosie , Snow Tim , Terrill Nick J. , Lu Yongjie , Wang Wen , Connelly John , Tozzi Gianluca , Gupta Himadri S.
Published: March 2022

Fibrotic scarring is prevalent in a range of collagenous tissue disorders. Understanding the role of matrix biophysics in contributing to fibrotic progression is important to develop therapies, as well as to elucidate biological mechanisms. Here, we demonstrate how microfocus small-angle X-ray scattering (SAXS), with in situ mechanics and correlative imaging, can provide quantitative and position-resolved information on the fibrotic matrix nanostructure and its mechanical properties. We use as an example the case of keloid scarring in skin. SAXS mapping reveals heterogeneous gradients in collagen fibrillar concentration, fibril pre-strain (variations in D-period) and a new interfibrillar component likely linked to proteoglycans, indicating evidence of a complex 3D structure at the nanoscale. Furthermore, we demonstrate a proof-of-principle for a diffraction-contrast correlative imaging technique, incorporating, for the first time, DIC and SAXS, and providing an initial estimate for measuring spatially resolved fibrillar-level strain and reorientation in such heterogeneous tissues. By application of the method, we quantify (at the microscale) fibrillar reorientations, increases in fibrillar D-period variance, and increases in mean D-period under macroscopic tissue strains of ~20%. Our results open the opportunity of using synchrotron X-ray nanomechanical imaging as a quantitative tool to probe structure–function relations in keloid and other fibrotic disorders in situ.
Effect of Electroless Cu Plating Ti3AlC2 Particles on Microstructure and Properties of Gd2O3/Cu Composites
Authors: Cao Haiyao , Zhan Zaiji , Lv Xiangzhe
Published: March 2022

Ti3AlC2 presents a hexagonal layered crystal structure and bridges the gap between metallic and ceramic properties, and Gadolinia (Gd2O3) has excellent thermodynamic stability, which make them potentially attractive as dispersive phases for Cu matrix composites. In this paper, Cu@Ti3AlC2-Gd2O3/Cu composites, Ti3AlC2-Gd2O3/Cu composites, and Gd2O3/Cu composites were prepared by electroless Cu plating, internal oxidation, and vacuum hot press sintering. The microstructure and the effect of the Cu plating on the properties of the Cu@Ti3AlC2-Gd2O3/Cu composites were discussed. The results showed that a Cu plating with a thickness of about 0.67 μm was successfully plated onto the surface of Ti3AlC2 particles. The ex situ Ti3AlC2 particles were distributed at the Cu grain boundary, while the in situ Gd2O3 particles with a grain size of 20 nm were dispersed in the Cu grains. The electroless Cu plating onto the surface of the Ti3AlC2 particles effectively reduces their surfactivity and improves the surface contacting state between the Cu@Ti3AlC2 particles and the Cu matrix, and reduces electron scattering, so that the tensile strength reached 378.9 MPa, meanwhile, the electrical conductivity and elongation of the Cu matrix composites was maintained at 93.6 IACS% and 17.6%.
Research on Atomic Oxygen Erosion Influence of Structural Damage and Tribological Properties of Mo/MoS2-Pb-PbS Thin Film
Authors: Han Cuihong , Li Guolu , Ma Guozheng , Shi Jiadong , Wei Aobo , Li Zhen , Yong Qingsonge , Wang Haidou , Wang Huipeng
Published: March 2022

To investigate atomic oxygen effects on tribological properties of Mo/MoS2-Pb-PbS film and further enlarge application range, atomic oxygen exposure tests were carried out for 5 h, 10 h, 15 h, and 20 h by the atomic oxygen simulator with atomic oxygen flux of 2.5 × 1015 atoms/cm2·s. The exposure time in test was equivalent to the atomic oxygen cumulative flux for 159.25 h, 318.5 h, 477.75 h, and 637 h at the height of 400 km in space. Then, the vacuum friction test of Mo/MoS2-Pb-PbS thin film was performed under the 6 N load and 100 r/min. By SEM, TEM, and XPS analysis of the surface of the film after atomic oxygen erosion, it was observed that atomic oxygen could cause serious oxidation on the surface of Mo/MoS2-Pb-PbS film, and the contents of MoS2, PbS, and Pb, which were lubricating components, were significantly reduced, and oxides were generated. From AES analysis and the variation in the main element content, Mo/MoS2-Pb-PbS thin film showed self-protection ability in an atomic oxygen environment. Hard oxide generated after atomic oxygen erosion such as MoO3 and Pb3O4 could cause the friction coefficient slight fluctuations, but the average friction coefficient was in a stable state.
Decomposition of the Knapsack Problem for Increasing the Capacity of Operating Rooms
Authors: Lazarev Alexander Alekseevich , Lemtyuzhnikova Darya Vladimirovna , Somov Mikhail Lvovich
Published: March 2022

This paper is aimed at the problem of scheduling surgeries in operating rooms. To solve this problem, we suggest using some variation of the bin packing problem. The model is based on the actual operation of 10 operating rooms, each of which belongs to a specific department of the hospital. Departments are unevenly loaded, so operations can be moved to operating rooms in other departments. The main goal is to increase patient throughput. It is also necessary to measure how many operations take place in other departments with the proposed solution. The preferred solution is a solution with fewer such operations, all other things being equal. Due to the fact that the mixed-integer linear programming model turned out to be computationally complex, two approximation algorithms were also proposed. They are based on decomposition. The complexity of the proposed algorithms is estimated, and arguments are made regarding their accuracy from a theoretical point of view. To assess the practical accuracy of the algorithms, the Gurobi solver is used. Experiments were conducted on real historical data on surgeries obtained from the Burdenko Neurosurgical Center. Two decomposition algorithms were constructed and a comparative analysis was performed for 10 operating rooms based on real data.
A Modular Framework for Generic Quantum Algorithms
Authors: Manzano Alberto , Musso Daniele , Leitao Álvaro , Gómez Andrés , Vázquez Carlos , Ordóñez Gustavo , Nogueiras María R.
Published: March 2022

We describe a general-purpose framework to design quantum algorithms. This framework relies on two pillars: a basic data structure called quantum matrix and a modular structure based on three quasi-independent modules. These latter include a loading module, a tool-kit of basic quantum arithmetic operations and a read-out module. We briefly discuss the loading and read-out modules, while the arithmetic module is analyzed in more depth. Eventually, we give explicit examples regarding the manipulation of generic oracles and hint at possible applications.
Graph-Informed Neural Networks for Regressions on Graph-Structured Data
Authors: Berrone Stefano , Della Santa Francesco , Mastropietro Antonio , Pieraccini Sandra , Vaccarino Francesco
Published: March 2022

In this work, we extend the formulation of the spatial-based graph convolutional networks with a new architecture, called the graph-informed neural network (GINN). This new architecture is specifically designed for regression tasks on graph-structured data that are not suitable for the well-known graph neural networks, such as the regression of functions with the domain and codomain defined on two sets of values for the vertices of a graph. In particular, we formulate a new graph-informed (GI) layer that exploits the adjacent matrix of a given graph to define the unit connections in the neural network architecture, describing a new convolution operation for inputs associated with the vertices of the graph. We study the new GINN models with respect to two maximum-flow test problems of stochastic flow networks. GINNs show very good regression abilities and interesting potentialities. Moreover, we conclude by describing a real-world application of the GINNs to a flux regression problem in underground networks of fractures.
Characterization of Antioxidant Activity of Heated Mycosporine-like Amino Acids from Red Alga Dulse Palmaria palmata in Japan
Authors: Nishida Yuki , Saburi Wataru , Miyabe Yoshikatsu , Kishimura Hideki , Kumagai Yuya
Published: March 2022

We recently demonstrated the monthly variation and antioxidant activity of mycosporine-like amino acids (MAAs) from red alga dulse in Japan. The antioxidant activity of MAAs in acidic conditions was low compared to that in neutral and alkali conditions, but we found strong antioxidant activity from the heated crude MAA fraction in acidic conditions. In this study, we identified and characterized the key compounds involved in the antioxidant activity of this fraction. We first isolated two MAAs, palythine, and porphyra-334, from the fraction and evaluated the activities of the two MAAs when heated. MAAs possess absorption maxima at around 330 nm, while the heated MAAs lost this absorption. The heated MAAs showed a high ABTS radical scavenging activity at pH 5.8–8.0. We then determined the structure of heated palythine via ESI-MS and NMR analyses and speculated about the putative antioxidant mechanism. Finally, a suitable production condition of the heated compounds was determined at 120 °C for 30 min at pH 8.0. We revealed compounds from red algae with antioxidant activities at a wide range of pH values, and this information will be useful for the functional processing of food.
Azithromycin Has Been Flying Off the Shelves: The Italian Lesson Learnt from Improper Use of Antibiotics against COVID-19
Authors: Ferrara Pietro , Albano Luciana
Published: March 2022

The warning by the Italian Medicines Agency on the high shortage of azithromycin in the country in January 2022 represents a paradigmatic lesson learnt from improper use of antibiotics during COVID-19 pandemic.
Novel Psychoactive Substances: The Razor’s Edge between Therapeutical Potential and Psychoactive Recreational Misuse
Authors: Correia Beatriz , Fernandes Joana , Botica Maria João , Ferreira Carla , Quintas Alexandre
Published: March 2022

Background: Novel psychoactive substances (NPS) are compounds of natural and synthetic origin, similar to traditional drugs of abuse. NPS are involved in a contemporary trend whose origin lies in a thinner balance between legitimate therapeutic drug research and legislative control. The contemporary NPS trend resulted from the replacement of MDMA by synthetic cathinones in ‘ecstasy’ during the 2000s. The most common NPS are synthetic cannabinoids and synthetic cathinones. Interestingly, during the last 50 years, these two classes of NPS have been the object of scientific research for a set of health conditions. Methods: Searches were conducted in the online database PubMed using boolean equations. Results: Synthetic cannabinoids displayed protective and therapeutic effects for inflammatory, neurodegenerative and oncologic pathologies, activating the immune system and reducing inflammation. Synthetic cathinones act similarly to amphetamine-type stimulants and can be used for depression and chronic fatigue. Conclusions: Despite the scientific advances in this field of research, pharmacological application of NPS is being jeopardized by fatalities associated with their recreational use. This review addresses the scientific achievements of these two classes of NPS and the toxicological data, ending with a reflection on Illicit and NPS control frames.
Salubrious Effects of Green Tea Catechins on Fatty Liver Disease: A Systematic Review
Authors: Abunofal Omar , Mohan Chandra
Published: March 2022

Epigallocatechin-3-gallate (EGCG) is a polyphenol green tea catechin with potential health benefits and therapeutic effects in non-alcoholic fatty liver disease (NAFLD), a common liver disorder that adversely affects liver function and lipid metabolism. This systematic review surveyed the effects of EGCG or green tea extract (GTE) on NAFLD reported in studies involving rodent models or humans with a focus on clinicopathologic outcomes, lipid and carbohydrate metabolism, and inflammatory, oxidative stress, and liver injury markers. Articles involving clinical efficacy of EGCG/GTE on human subjects and rodent models were gathered by searching the PUBMED database and by referencing additional articles identified from other literature reviews. EGCG or GTE supplementation reduced body weight, adipose tissue deposits, and food intake. Mechanistically, the majority of these studies confirmed that EGCG or GTE supplementation plays a significant role in regulating lipid and glucose metabolism and expression of genes involved in lipid synthesis. Importantly, EGCG and GTE supplementation were shown to have beneficial effects on oxidative stress-related pathways that activate pro-inflammatory responses, leading to liver damage. In conclusion, green tea catechins are a potentially useful treatment option for NAFLD. More research is required to determine the ideal dosage, treatment duration, and most effective delivery method of EGCG or GTE, and to provide more definitive conclusions by performing large, randomized clinical trials.
Recent Development and Environmental Applications of Nanocellulose-Based Membranes
Authors: Jaffar Syafiqah Syazwani , Saallah Suryani , Misson Mailin , Siddiquee Shafiquzzaman , Roslan Jumardi , Saalah Sariah , Lenggoro Wuled
Published: March 2022

Extensive research and development in the production of nanocellulose production, a green, bio-based, and renewable biomaterial has paved the way for the development of advanced functional materials for a multitude of applications. From a membrane technology perspective, the exceptional mechanical strength, high crystallinity, tunable surface chemistry, and anti-fouling behavior of nanocellulose, manifested from its structural and nanodimensional properties are particularly attractive. Thus, an opportunity has emerged to exploit these features to develop nanocellulose-based membranes for environmental applications. This review provides insights into the prospect of nanocellulose as a matrix or as an additive to enhance membrane performance in water filtration, environmental remediation, and the development of pollutant sensors and energy devices, focusing on the most recent progress from 2017 to 2022. A brief overview of the strategies to tailor the nanocellulose surface chemistry for the effective removal of specific pollutants and nanocellulose-based membrane fabrication approaches are also presented. The major challenges and future directions associated with the environmental applications of nanocellulose-based membranes are put into perspective, with primary emphasis on advanced multifunctional membranes.
A Novel Reticular Retained Austenite on the Weld Fusion Line of Low Carbon Martensitic Stainless Steel 06Cr13Ni4Mo and the Influence on the Mechanical Properties
Authors: Peng Fan , Feng Zhourong , Zhao Yu , Long Jianzhou
Published: March 2022

When performing fluorescent magnetic particle testing in steel welding-repaired zones, as traditional viewpoint usually ascribes magnetic particle indications to discontinuous welding defects such as cracks, incomplete fusion, etc., welding-repaired zones showing indications of these defects are always judged to be unqualified. In this study, a novel reticular phase was identified on the weld fusion line of 06Cr13Ni4Mo. By selected area electron diffraction, it was proved to be an austenite. By roasting test, it was proved to be induced by the thermal effect of welding. Non-ferromagnetic reticular austenite reduces the overall magnetic permeability, leading to the presence of fluorescent magnetic particle indication. Though the mechanical properties of the welding repaired zone are changed by the reticular austenite with the yield strength, tensile strength, and microhardness decreasing to 571 MPa, 752 MPa, and 279, respectively, they still exceed the required values of standard specifications. 06Cr13Ni4Mo welding-repaired zones showing magnetic particle indications induced by reticular austenite are qualified and should be accepted.
Editorial for the Special Issue on Wide Bandgap Based Devices: Design, Fabrication and Applications, Volume II
Authors: Verzellesi Giovanni
Published: March 2022

Wide bandgap (WBG) semiconductors are becoming a key enabling technology for several strategic fields of human activities [...]
High Abundance of Thaumarchaeota Found in Deep Metamorphic Subsurface in Eastern China
Authors: Zhang Wenhui , Hou Weiguo , Zeng Xiangzhi , Wang Shang , Dong Hailiang
Published: March 2022

Members of the Thaumarchaeota phylum play a key role in nitrogen cycling and are prevalent in a variety of environments including soil, sediment, and seawater. However, few studies have shown the presence of Thaumarchaeota in the terrestrial deep subsurface. Using high-throughput 16S rRNA gene sequencing, this study presents evidence for the high relative abundance of Thaumarchaeota in a biofilm sample collected from the well of Chinese Continental Scientific Drilling at a depth of 2000 m. Phylogenetic analysis showed a close relationship of these thaumarchaeotal sequences with known ammonia-oxidizing archaea (AOA) isolates, suggesting the presence of AOA in the deep metamorphic environment of eastern China which is believed to be oxic. Based on fluid geochemistry and FAProTax functional prediction, a pathway of nitrogen cycling is proposed. Firstly, heterotrophic nitrogen fixation is executed by diazotrophic bacteria coupled with methane oxidation. Then, ammonia is oxidized to nitrite by AOA, and nitrite is further oxidized to nitrate by bacteria within the phylum Nitrospirae. Denitrification and anaerobic ammonia oxidation occur slowly, leading to nitrate accumulation in the subsurface. With respect to biogeochemistry, the reaction between downward diffusing O2 and upward diffusing CH4 potentially fuels the ecosystem with a high relative abundance of Thaumarchaeota.
Ingested Microplastics in 18 Local Fish Species from the Northwestern Mediterranean Sea
Authors: Constant Mel , Reynaud Mathieu , Weiss Lisa , Ludwig Wolfgang , Kerhervé Philippe
Published: March 2022

Plastic waste and its fragments (microplastics, <5 mm) are a global, persistent, and ubiquitous threat for land and marine ecosystems. We have investigated the occurrence and composition of microplastics within 18 coastal fish species of the northwestern Mediterranean Sea. Digestive tracts were digested using hydrogen peroxide, and residues were observed under a stereo-microscope. Suspected microplastics were analyzed with a Fourier Transform InfraRed (FTIR) spectrometer to confirm its plastic nature and to identify the polymer type. A rigorous blank control and FTIR correction was applied, leading to the removal of 78% of the initially sorted and suspected particles. Corrected concentrations range from 0.00 to 5.15 items per fish, a result within the same range than this has been reported for other coastal species previously investigated in this area. Fibers, made of polyester (PES), polyamide (PA), acrylic (A) and polypropylene (PP), largely dominate the microplastic shapes (91%). A single driving force could not be identified, but several species traits (morphology, feeding, and habitat) may influence the number of ingested microplastics.
Evaluation of Efficiency of Using Mechanized Processing Techniques to Recover Tin and Tantalum in Gatsibo, Eastern Province, Rwanda
Authors: Kabatesi Juliette Confiance , Uwizeyimana Jules , Rwabuhungu Rwatangabo Digne Edmond , Wang Jei-Pil
Published: March 2022

Rwanda is known to be among the top producers of tin and tantalum, despite having low recovery and grades. This study was carried out to evaluate the efficiency of using mechanized methods to increase the recovery rate and grades of tin and tantalum mined in Gatsibo, Eastern Province, Rwanda, since the general separation techniques used are artisanal. The minerals in those mines include cassiterite (SnO2) and colombite–tantalite ((Fe,Mn)(Ta,Nb)2O5), with impurities such as Al2O3, Fe2O3, MnO, MgO, Cao, Na2O, K2O, TiO2, and P2O5. A combination of gravity separation techniques, including shaking tables and magnetic separation, were used as the mechanized processing techniques. The results were compared to the results obtained by artisanal processing techniques. The proposed mechanized techniques were found to increase the efficiency of tin and tantalum recovery from 60.75% to 81.85% and from 22.9% to 48.57%, respectively, and the grades of the tin and tantalum increased to 63.75% and 35.7%, respectively. Based on these results, the proposed mechanized processing techniques and the recycling of waste from artisanal processing techniques are highly recommended.
Simulation Algorithm for Water Elutriators: Model Calibration with Plant Data and Operational Simulations
Authors: Roy Jonathan , Bazin Claude , Larachi Faïçal
Published: March 2022

A dynamic simulation algorithm based on 1-D transient convection/diffusion transport per particle size class is proposed to simulate a hydraulic classifier operated to selectively remove quartz from an iron oxide concentrate produced by processing the ore from an iron ore mine in northeastern Canada. The calibrated model is used to simulate the operation of dense bed hydraulic classifiers of different sizes and/or under different operating conditions. The simulator predicts the behavior and characteristics of the pulp at different depths within the classifier as a function of time. The simulator is validated by confronting the simulation results to experimental data obtained from sampling industrial and laboratory classifiers. The simulator is then used to assess the role of the fluidization or teeter water and of bed density on the quality of the produced separation of quartz from the valuable iron oxide of the processed ore. The knowledge acquired in the noise-free environment of simulation provides clues on the way to manipulate the hydraulic classifier operating variables in a process control strategy for an industrial scale unit.
Cocoa By-Products: Characterization of Bioactive Compounds and Beneficial Health Effects
Authors: Soares Thiago F. , Oliveira M. Beatriz P. P.
Published: March 2022

The annual production of cocoa is approximately 4.7 million tons of cocoa beans, of which only 10% corresponds to the cocoa bean and the remaining value corresponds to a high number of residues, cocoa bean shell, pulp and husk. These by-products are a source of nutrients and compounds of notable interest in the food industry as possible ingredients, or even additives. The assessment of such by-products is relevant to the circular economy at both environmental and economic levels. Investigations carried out with these by-products have shown that cocoa husk can be used for the production of useful chemicals such as ketones, carboxylic acids, aldehydes, furans, heterocyclic aromatics, alkylbenzenes, phenols and benzenediols, as well as being efficient for the removal of lead from acidic solutions, without decay in the process due to the other metals in this matrix. The fibre present in the cocoa bean shell has a considerable capacity to adsorb a large amount of oil and cholesterol, thus reducing its bioavailability during the digestion process, as well as preventing lipid oxidation in meats, with better results compared to synthetic antioxidants (butylated hydroxytoluene and β-tocopherol). Finally, cocoa pulp can be used to generate a sweet and sour juice with a natural flavour. Thus, this review aimed to compile information on these by-products, focusing mainly on their chemical and nutritional composition, simultaneously, the various uses proposed in the literature based on a bibliographic review of articles, books and theses published between 2000 and 2021, using databases such as Scopus, Web of Science, ScieLO, PubMed and ResearchGate.
Use of Gas Chromatography-Mass Spectrometry Techniques (GC-MS, GC-MS/MS and GC-QTOF) for the Characterization of Photooxidation and Autoxidation Products of Lipids of Autotrophic Organisms in Environmental Samples
Authors: Rontani Jean-François
Published: March 2022

This paper reviews applications of gas chromatography-mass spectrometry techniques for the characterization of photooxidation and autoxidation products of lipids of senescent phototrophic organisms. Particular attention is given to: (i) the selection of oxidation products that are sufficiently stable under environmental conditions and specific to each lipid class and degradation route; (ii) the description of electron ionization mass fragmentation of trimethylsilyl derivatives of these compounds; and (iii) the use of specific fragment ions for monitoring the oxidation of the main unsaturated lipid components of phototrophs. The techniques best geared for this task were gas chromatography-quadrupole-time of flight to monitor fragment ions with very high resolution and accuracy, and gas chromatography-tandem mass spectrometry to monitor very selective transitions in multiple reaction monitoring mode. The extent of the degradation processes can only be estimated if the oxidation products are unaffected by fast secondary oxidation reactions, as it is notably the case of ∆5-sterols, monounsaturated fatty acids, chlorophyll phytyl side-chain, and di- and triterpenoids. In contrast, the primary degradation products of highly branched isoprenoid alkenes possessing more than one trisubstituted double bond, alkenones, carotenoids and polyunsaturated fatty acids, appear to be too unstable with respect to secondary oxidation or other reactions to serve for quantification in environmental samples.
Low-Cost Inorganic Strontium Ferrite a Novel Hole Transporting Material for Efficient Perovskite Solar Cells
Authors: Tangra Ankush Kumar , Kanoun Mohammed Benali , Goumri-Said Souraya , Kanoun Ahmed-Ali , Musselman Kevin , Kaur Jaspinder , Lotey Gurmeet Singh
Published: March 2022

Perovskite solar cells attract significant interest due to their high-power conversion efficiencies. The replacement of charge-transporting layers using inorganic materials is an effective approach for improving stability and performance, as these materials are low-cost, highly durable, and environmentally friendly. This work focuses on the inorganic hole and electron transport layers (HTL and ETL), strontium ferrite (SrFe2O4), and zinc oxide (ZnO), respectively, to enhance the efficiency of perovskite solar cells. Favorable band alignment and high charge-collection capability make these materials promising. Experimental and computational studies revealed that the power conversion efficiency of the fabricated device is 7.80% and 8.83%, respectively. Investigating electronic properties and interface charge transfer through density functional theory calculations further corroborated that SrFe2O4 is a good HTL candidate. Our numerical device modeling reveals the importance of optimizing the thickness (100 nm and 300 nm) of the HTL and perovskite layers and defect density (1016 cm−3) of the absorber to achieve better solar cell performance.
Control of Ni/β-Ga2O3 Vertical Schottky Diode Output Parameters at Forward Bias by Insertion of a Graphene Layer
Authors: Labed Madani , Sengouga Nouredine , Rim You Seung
Published: March 2022

Controlling the Schottky barrier height (ϕB) and other parameters of Schottky barrier diodes (SBD) is critical for many applications. In this work, the effect of inserting a graphene interfacial monolayer between a Ni Schottky metal and a β-Ga2O3 semiconductor was investigated using numerical simulation. We confirmed that the simulation-based on Ni workfunction, interfacial trap concentration, and surface electron affinity was well-matched with the actual device characterization. Insertion of the graphene layer achieved a remarkable decrease in the barrier height (ϕB), from 1.32 to 0.43 eV, and in the series resistance (RS), from 60.3 to 2.90 mΩ.cm2. However, the saturation current (JS) increased from 1.26×10−11  to 8.3×10−7(A/cm2). The effects of a graphene bandgap and workfunction were studied. With an increase in the graphene workfunction and bandgap, the Schottky barrier height and series resistance increased and the saturation current decreased. This behavior was related to the tunneling rate variations in the graphene layer. Therefore, control of Schottky barrier diode output parameters was achieved by monitoring the tunneling rate in the graphene layer (through the control of the bandgap) and by controlling the Schottky barrier height according to the Schottky–Mott role (through the control of the workfunction). Furthermore, a zero-bandgap and low-workfunction graphene layer behaves as an ohmic contact, which is in agreement with published results.
Preparation and Characterization of Multi-Doped Porous Carbon Nanofibers from Carbonization in Different Atmospheres and Their Oxygen Electrocatalytic Properties Research
Authors: Wang Tao , Ola Oluwafunmilola , Dapaah Malcom Frimpong , Lu Yuhao , Niu Qijian , Cheng Liang , Wang Nannan , Zhu Yanqiu
Published: March 2022

Recently, electrocatalysts for oxygen reduction reaction (ORR) as well as oxygen evolution reaction (OER) hinged on electrospun nanofiber composites have attracted wide research attention. Transition metal elements and heteroatomic doping are important methods used to enhance their catalytic performances. Lately, the construction of electrocatalysts based on metal-organic framework (MOF) electrospun nanofibers has become a research hotspot. In this work, nickel-cobalt zeolitic imidazolate frameworks with different molar ratios (NixCoy-ZIFs) were synthesized in an aqueous solution, followed by NixCoy-ZIFs/polyacrylonitrile (PAN) electrospun nanofiber precursors, which were prepared by a simple electrospinning method. Bimetal (Ni-Co) porous carbon nanofiber catalysts doped with nitrogen, oxygen, and sulfur elements were obtained at high-temperature carbonization treatment in different atmospheres (argon (Ar), Air, and hydrogen sulfide (H2S)), respectively. The morphological properties, structures, and composition were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). Moreover, the specific surface area of materials and their pore size distribution was characterized by Brunauer-Emmett-Teller (BET). Linear sweep voltammetry curves investigated catalyst performances towards oxygen reduction and evolution reactions. Importantly, Ni1Co2-ZIFs/PAN-Ar yielded the best ORR activity, whereas Ni1Co1-ZIFs/PAN-Air exhibited the best OER performance. This work provides significant guidance for the preparation and characterization of multi-doped porous carbon nanofibers carbonized in different atmospheres.
FTO and ADRB2 Genetic Polymorphisms Are Risk Factors for Earlier Excessive Gestational Weight Gain in Pregnant Women with Pregestational Diabetes Mellitus: Results of a Randomized Nutrigenetic Trial
Authors: Santos Karina dos , Rosado Eliane Lopes , da Fonseca Ana Carolina Proença , Belfort Gabriella Pinto , da Silva Letícia Barbosa Gabriel , Ribeiro-Alves Marcelo , Zembrzuski Verônica Marques , Martínez J. Alfredo , Saunders Cláudia
Published: March 2022

Excessive gestational weight gain (GWG) is associated with increased risk of maternal and neonatal complications. We investigated obesity-related polymorphisms in the FTO gene (rs9939609, rs17817449) and ADRB2 (rs1042713, rs1042714) as candidate risk factors concerning excessive GWG in pregnant women with pregestational diabetes. This nutrigenetic trial, conducted in Brazil, randomly assigned 70 pregnant women to one of the groups: traditional diet (n = 41) or DASH diet (n = 29). Excessive GWG was the total weight gain above the upper limit of the recommendation, according to the Institute of Medicine guidelines. Genotyping was performed using real-time PCR. Time-to-event analysis was performed to investigate risk factors for progression to excessive GWG. Regardless the type of diet, AT carriers of rs9939609 (FTO) and AA carriers of rs1042713 (ADRB2) had higher risk of earlier exceeding GWG compared to TT (aHR 2.44; CI 95% 1.03–5.78; p = 0.04) and GG (aHR 3.91; CI 95% 1.12–13.70; p = 0.03) genotypes, respectively, as the AG carriers for FTO haplotype rs9939609:rs17817449 compared to TT carriers (aHR 1.79; CI 95% 1.04–3.06; p = 0.02).
Exploring the Prominent and Concealed Inhibitory Features for Cytoplasmic Isoforms of Hsp90 Using QSAR Analysis
Authors: Zaki Magdi E. A. , Al-Hussain Sami A. , Bukhari Syed Nasir Abbas , Masand Vijay H. , Rathore Mithilesh M. , Thakur Sumer D. , Patil Vaishali M.
Published: March 2022

Cancer is a major life-threatening disease with a high mortality rate in many countries. Even though different therapies and options are available, patients generally prefer chemotherapy. However, serious side effects of anti-cancer drugs compel us to search for a safer drug. To achieve this target, Hsp90 (heat shock protein 90), which is responsible for stabilization of many oncoproteins in cancer cells, is a promising target for developing an anti-cancer drug. The QSAR (Quantitative Structure–Activity Relationship) could be useful to identify crucial pharmacophoric features to develop a Hsp90 inhibitor. Therefore, in the present work, a larger dataset encompassing 1141 diverse compounds was used to develop a multi-linear QSAR model with a balance of acceptable predictive ability (Predictive QSAR) and mechanistic interpretation (Mechanistic QSAR). The new developed six-parameter model satisfies the recommended values for a good number of validation parameters such as R2tr = 0.78, Q2LMO = 0.77, R2ex = 0.78, and CCCex = 0.88. The present analysis reveals that the Hsp90 inhibitory activity is correlated with different types of nitrogen atoms and other hidden structural features such as the presence of hydrophobic ring/aromatic carbon atoms within a specific distance from the center of mass of the molecule, etc. Thus, the model successfully identified a variety of reported as well as novel pharmacophoric features. The results of QSAR analysis are further vindicated by reported crystal structures of compounds with Hsp90.
PVDF/KNO3 Composite Sub-Microfibers Produced by Solution Blow Spinning as a Hydrophobic Matrix for Fertilizer Delivery System
Authors: Sobral Fabio , Silva Michael J. , Canassa Thalita , Goncalves Além-Mar , Cena Cícero
Published: March 2022

Nutrient supplementation is a common practice in agriculture to increase crop productivity in the field. This supplementation is usually excessive, causing nutrient leaching in periods of rainfall leading to environmental problems. To overcome such issues, many studies have been devoted to developing polymeric matrices for the controlled and continuous release of nutrients, reducing losses, and keeping plants nourished for as long as possible. However, the release mechanism of these matrices is based on water diffusion. They start immediately for swellable polymeric matrices, which is not interesting and also may cause some waste, because the plant only needs nutrition only after the germination process. Here, as proof of concept, we tested a hydrophobic polymeric matrix based on sub-microfibers mats, produced by solution blow spinning, filled with potassium nitrate (KNO3) for the controlled release of nutrients to plants. In this work, we used the polyvinylidene fluoride (PVDF) polymer to produce composite nanofibers containing pure potassium nitrate in the proportion of 10% weight. PVDF/KNO sub-microfibers mats were obtained with 370 nm average diameter and high occurrence of beads. We performed a release test using PVDF/KNO3 mats in a water bath. The release kinetic tests showed an anomalous delivery mechanism, but the composite polymeric fibrous mat showed itself to be a promising alternative to delay the nutrient delivery for the plants.
Modelling and Simulation of Building Material Flows: Assessing the Potential for Concrete Recycling in the German Construction Sector
Authors: Mostert Clemens , Weber Christian , Bringezu Stefan
Published: March 2022

The reuse and recycling of materials can make an important contribution to the conservation of natural resources in the sense of a circular economy. This applies in particular to high quality recycling, supporting the material use of waste and closing product cycles. The construction sector is the most important sector in terms of available volume of materials for recycling. However, the largest share of recycling (RC) materials goes predominantly into road construction and underground engineering. This research developed a dynamic model and used a simulation tool to calculate future building material flows in the German construction sector of residential buildings to explore the medium- and long-term potential for RC concrete. The results show that, by increasing the RC rate of concrete to produce recycled aggregates for concrete (RAC) from currently 1.5% to 48%, up to 179 million tons of sand and gravel could be saved until 2060. If the current maximum secondary input rate of RAC of 45% is increased to 70%, the savings could rise over another 66 million tons. If a secondary input rate of 100% is applied, RAC could completely fulfill the demand for sand and gravel for new residential building in Germany from 2045 onwards. The approval of RC concrete for more concrete strength and exposure classes is required to avoid a surplus of RAC and a rapid exhaustion of landfill capacities in the future.
Diagnosis of Kawasaki Disease Presenting with Limited and Faint Principal Clinical Features
Authors: Nomura Yuichi , Mikami Yuta , Masuda Kiminori , Kato Yoshikazu , Nakazaki Naho , Ikeda Hiromi , Hirabayashi Masako , Kusubae Ryo , Sameshima Koji
Published: March 2022

Background: We examined the characteristics of Kawasaki disease (KD) patients who presented with limited and faint principal clinical features. Methods: We retrospectively reviewed the clinical records of 62 KD patients who presented with limited and faint clinical features at admission. A clinical feature that was recognizable by even junior doctors was defined as a definite feature (d-Feature), and a feature that was faint and recognizable by only experienced doctors was defined as a faint feature (f-Feature). Results: At admission, 82% of patients presented with fever and ≤1 d-Feature. Two days later, the d-Features increased in number and diagnoses of KD were established in 32 patients with fever and ≥4 d-Features. In 30 patients with ≤3 d-Features, experienced doctors recognized f-Features and diagnosed KD in 22 patients because of fever and ≥4 features. Among eight patients with ≤3 features, experienced doctors diagnosed six patients as incomplete KD considering their faint abnormal echocardiographic findings. For the remaining two patients, experienced doctors decided to commence KD treatments considering the patients’ clinical course. Conclusions: Sufficient clinical experience is essential during the diagnosis of KD in patients presenting with limited and f-Features. Educational programs for junior doctors on how to recognize f-Features and evaluate faint abnormal coronary artery findings are necessary.
The Role of Financial Situation in the Relationship between Environmental Initiatives and Competitive Priorities of Production Companies in Poland
Authors: Fura Barbara
Published: March 2022

The paper aims to determine the role of the financial situation of production companies in the relationship between their environmental initiatives and their factors of competitiveness. The paper takes advantage of primary and secondary statistical data. The former were gathered using the diagnostic survey method, whereas the latter were obtained from the companies’ financial statements. For the analysis of the primary data, structural modeling was applied. The data from the financial statements served to classify enterprises according to their financial situation. The classification was carried out with the use of Mączyńska’s discriminant model. The main findings highlight that more positive effects of environmental initiatives, such as companies’ increased competitiveness, were observed in cases of enterprises with good financial situations. In addition, a weaker impact of pro-environmental initiatives on the increase in companies’ competitiveness was noted in enterprises in poor financial conditions. The results of this research may be potentially applied in those production companies which build their competitiveness based on activities aiming at the protection of the natural environment. They draw attention to the key factors of the competitiveness of enterprises, which are improved as a result of actions for the protection of the natural environment. The originality of the presented research lies in determining the role of the financial situation in the development of the relationship between environmental actions and company competitiveness.