bluuebunny/crossref_metadata_2025 huggingface dataset:
Accurate Segmentation of Nuclear Regions with Multi-Organ Histopathology Images Using Artificial Intelligence for Cancer Diagnosis in Personalized Medicine
Authors: Mahmood Tahir , Owais Muhammad , Noh Kyoung Jun , Yoon Hyo Sik , Koo Ja Hyung , Haider Adnan , Sultan Haseeb , Park Kang Ryoung
Published: June 2021

Accurate nuclear segmentation in histopathology images plays a key role in digital pathology. It is considered a prerequisite for the determination of cell phenotype, nuclear morphometrics, cell classification, and the grading and prognosis of cancer. However, it is a very challenging task because of the different types of nuclei, large intraclass variations, and diverse cell morphologies. Consequently, the manual inspection of such images under high-resolution microscopes is tedious and time-consuming. Alternatively, artificial intelligence (AI)-based automated techniques, which are fast and robust, and require less human effort, can be used. Recently, several AI-based nuclear segmentation techniques have been proposed. They have shown a significant performance improvement for this task, but there is room for further improvement. Thus, we propose an AI-based nuclear segmentation technique in which we adopt a new nuclear segmentation network empowered by residual skip connections to address this issue. Experiments were performed on two publicly available datasets: (1) The Cancer Genome Atlas (TCGA), and (2) Triple-Negative Breast Cancer (TNBC). The results show that our proposed technique achieves an aggregated Jaccard index (AJI) of 0.6794, Dice coefficient of 0.8084, and F1-measure of 0.8547 on TCGA dataset, and an AJI of 0.7332, Dice coefficient of 0.8441, precision of 0.8352, recall of 0.8306, and F1-measure of 0.8329 on the TNBC dataset. These values are higher than those of the state-of-the-art methods.
In Vitro and In Silico Characterization of G-Protein Coupled Receptor (GPCR) Targets of Phlorofucofuroeckol-A and Dieckol
Authors: Paudel Pradeep , Seong Su Hui , Park Se Eun , Ryu Jong Hoon , Jung Hyun Ah , Choi Jae Sue
Published: June 2021

Phlorotannins are polyphenolic compounds in marine alga, especially the brown algae. Among numerous phlorotannins, dieckol and phlorofucofuroeckol-A (PFF-A) are the major ones and despite a wider biological activity profile, knowledge of the G protein-coupled receptor (GPCR) targets of these phlorotannins is lacking. This study explores prime GPCR targets of the two phlorotannins. In silico proteocheminformatics modeling predicted twenty major protein targets and in vitro functional assays showed a good agonist effect at the α2C adrenergic receptor (α2CAR) and an antagonist effect at the adenosine 2A receptor (A2AR), δ-opioid receptor (δ-OPR), glucagon-like peptide-1 receptor (GLP-1R), and 5-hydroxytryptamine 1A receptor (5-TH1AR) of both phlorotannins. Besides, dieckol showed an antagonist effect at the vasopressin 1A receptor (V1AR) and PFF-A showed a promising agonist effect at the cannabinoid 1 receptor and an antagonist effect at V1AR. In silico molecular docking simulation enabled us to investigate and identify distinct binding features of these phlorotannins to the target proteins. The docking results suggested that dieckol and PFF-A bind to the crystal structures of the proteins with good affinity involving key interacting amino acid residues comparable to reference ligands. Overall, the present study suggests α2CAR, A2AR, δ-OPR, GLP-1R, 5-TH1AR, CB1R, and V1AR as prime receptor targets of dieckol and PFF-A.
DNA-Topology Simplification by Topoisomerases
Authors: Hanke Andreas , Ziraldo Riccardo , Levene Stephen D.
Published: June 2021

The topological properties of DNA molecules, supercoiling, knotting, and catenation, are intimately connected with essential biological processes, such as gene expression, replication, recombination, and chromosome segregation. Non-trivial DNA topologies present challenges to the molecular machines that process and maintain genomic information, for example, by creating unwanted DNA entanglements. At the same time, topological distortion can facilitate DNA-sequence recognition through localized duplex unwinding and longer-range loop-mediated interactions between the DNA sequences. Topoisomerases are a special class of essential enzymes that homeostatically manage DNA topology through the passage of DNA strands. The activities of these enzymes are generally investigated using circular DNA as a model system, in which case it is possible to directly assay the formation and relaxation of DNA supercoils and the formation/resolution of knots and catenanes. Some topoisomerases use ATP as an energy cofactor, whereas others act in an ATP-independent manner. The free energy of ATP hydrolysis can be used to drive negative and positive supercoiling or to specifically relax DNA topologies to levels below those that are expected at thermodynamic equilibrium. The latter activity, which is known as topology simplification, is thus far exclusively associated with type-II topoisomerases and it can be understood through insight into the detailed non-equilibrium behavior of type-II enzymes. We use a non-equilibrium topological-network approach, which stands in contrast to the equilibrium models that are conventionally used in the DNA-topology field, to gain insights into the rates that govern individual transitions between topological states. We anticipate that our quantitative approach will stimulate experimental work and the theoretical/computational modeling of topoisomerases and similar enzyme systems.
Diketopiperazine Gels: New Horizons from the Self-Assembly of Cyclic Dipeptides
Authors: Scarel Marco , Marchesan Silvia
Published: June 2021

Cyclodipeptides (CDPs) or 2,5-diketopiperazines (DKPs) can exert a variety of biological activities and display pronounced resistance against enzymatic hydrolysis as well as a propensity towards self-assembly into gels, relative to the linear-dipeptide counterparts. They have attracted great interest in a variety of fields spanning from functional materials to drug discovery. This concise review will analyze the latest advancements in their synthesis, self-assembly into gels, and their more innovative applications.
Vitamin K2 as a New Modulator of the Ceramide De Novo Synthesis Pathway
Authors: Kołakowski Adrian , Kurzyna Piotr F. , Żywno Hubert , Bzdęga Wiktor , Harasim-Symbor Ewa , Chabowski Adrian , Konstantynowicz-Nowicka Karolina
Published: June 2021

The aim of the study was to evaluate the influence of vitamin K2 (VK2) supplementation on the sphingolipid metabolism pathway in palmitate-induced insulin resistant hepatocytes. The study was carried out on human hepatocellular carcinoma cells (HepG2) incubated with VK2 and/or palmitic acid (PA). The concentrations of sphingolipids were measured by high-performance liquid chromatography. The expression of enzymes from the sphingolipid pathway was assessed by Western blotting. The same technique was used in order to determine changes in the expression of the proteins from the insulin signaling pathway in the cells. Simultaneous incubation of HepG2 cells with palmitate and VK2 elevated accumulation of sphinganine and ceramide with increased expression of enzymes from the ceramide de novo synthesis pathway. HepG2 treatment with palmitate and VK2 significantly decreased the insulin-stimulated expression ratio of insulin signaling proteins. Moreover, we observed that the presence of PA w VK2 increased fatty acid transport protein 2 expression. Our study showed that VK2 activated the ceramide de novo synthesis pathway, which was confirmed by the increase in enzymes expression. VK2 also intensified fatty acid uptake, ensuring substrates for sphingolipid synthesis through the de novo pathway. Furthermore, increased concentration of sphingolipids, mainly sphinganine, inhibited insulin pathway proteins phosphorylation, increasing insulin resistance development.
Characterization of a Hg2+-Selective Fluorescent Probe Based on Rhodamine B and Its Imaging in Living Cells
Authors: Zhang Wenting , Yu Chunwei , Yang Mei , Wen Shaobai , Zhang Jun
Published: June 2021

A small organic molecule P was synthesized and characterized as a fluorometric and colorimetric dual-modal probe for Hg2+. The sensing characteristics of the proposed probe for Hg2+ were studied in detail. A fluorescent enhancing property at 583 nm (>30 fold) accompanied with a visible colorimetric change, from colorless to pink, was observed with the addition of Hg2+ to P in an ethanol-water solution (8:2, v/v, 20 mM HEPES, pH 7.0), which would be helpful to fabricate Hg2+-selective probes with “naked-eye” and fluorescent detection. Meanwhile, cellular experimental results demonstrated its low cytotoxicity and good biocompatibility, and the application of P for imaging of Hg2+ in living cells was satisfactory.
Ethidium Binding to Salmonella enterica ser. Typhimurium Cells and Salmon Sperm DNA
Authors: Sakalauskaitė Sandra , Mikalayeva Valeryia , Daugelavičius Rimantas
Published: June 2021

Bacterial resistance to antibiotics due to increased efficiency of the efflux is a serious problem in clinics of infectious diseases. Knowledge of the factors affecting the activity of efflux pumps would help to find the solution. For this, fast and trustful methods for efflux analysis are needed. Here, we analyzed how the assay conditions affect the accumulation of efflux indicators ethidium (Et+) and tetraphenylphosphonium in Salmonella enterica ser. Typhimurium cells. An inhibitor phenylalanyl-arginyl-β-naphtylamide was applied to evaluate the input of RND family pumps into the total efflux. In parallel to spectrofluorimetric analysis, we used an electrochemical assessment of Et+ concentration. The results of our experiments indicated that Et+ fluorescence increases immediately after the penetration of this indicator into the cells. However, when cells bind a high amount of Et+, the intensity of the fluorescence reaches the saturation level and stops reacting to the accumulated amount of this indicator. For this reason, electrochemical measurements provide more trustful information about the efficiency of efflux when cells accumulate high amounts of Et+. Measurements of Et+ interaction with the purified DNA demonstrated that the affinity of this lipophilic cation to DNA depends on the medium composition. The capacity of DNA to bind Et+ considerably decreases in the presence of Mg2+, Polymyxin B or when DNA is incubated in high ionic strength media.
An Exploration of Seaweed Polysaccharides Stimulating Denitrifying Bacteria for Safer Nitrate Removal
Authors: Zhang Hui , Song Lin , Chen Xiaolin , Li Pengcheng
Published: June 2021

Excessive use of nitrogen fertilizer in intensively managed agriculture has resulted in abundant accumulation of nitrate in soil, which limits agriculture sustainability. How to reduce nitrate content is the key to alleviate secondary soil salinization. However, the microorganisms used in soil remediation cause some problems such as weak efficiency and short survival time. In this study, seaweed polysaccharides were used as stimulant to promote the rapid growth and safer nitrate removal of denitrifying bacteria. Firstly, the growth rate and NO3−-N removal capacity of three kinds of denitrifying bacteria, Bacillus subtilis (BS), Pseudomonas stutzeri (PS) and Pseudomonas putida (PP), were compared. The results showed that Bacillus subtilis (BS) had a faster growth rate and stronger nitrate removal ability. We then studied the effects of Enteromorpha linza polysaccharides (EP), carrageenan (CA), and sodium alginate (AL) on growth and denitrification performance of Bacillus subtilis (BS). The results showed that seaweed polysaccharides obviously promoted the growth of Bacillus subtilis (BS), and accelerated the reduction of NO3−-N. More importantly, the increased NH4+-N content could avoid excessive loss of nitrogen, and less NO2−-N accumulation could avoid toxic effects on plants. This new strategy of using denitrifying bacteria for safely remediating secondary soil salinization has a great significance.
Synthesis of Carbohydrate Based Macrolactones and Their Applications as Receptors for Ion Recognition and Catalysis
Authors: Adhikari Surya B. , Chen Anji , Wang Guijun
Published: June 2021

Glycomacrolactones exhibit many interesting biological properties, and they are also important in molecular recognitions and for supramolecular chemistry. Therefore, it is important to be able to access glycomacrocycles with different sizes and functionality. A new series of carbohydrate-based macrocycles containing triazole and lactone moieties have been designed and synthesized. The synthesis features an intramolecular nucleophilic substitution reaction for the macrocyclization step. In this article, the effect of some common sulfonate leaving groups is evaluated for macrolactonization. Using tosylate gave good selectivity for monolactonization products with good yields. Fourteen different macrocycles have been synthesized and characterized, of which eleven macrocycles are from cyclization of the C1 to C6 positions of N-acetyl D-glucosamine derivatives and three others from C2 to C6 cyclization of functionalized D-glucosamine derivatives. These novel macrolactones have unique structures and demonstrate interesting anion binding properties, especially for chloride. The macrocycles containing two triazoles form complexes with copper sulfate, and they are effective ligands for copper sulfate mediated azide-alkyne cycloaddition reactions (CuAAC). In addition, several macrocycles show some selectivity for different alkynes.
Ambient Air Temperature Assisted Crystallization for Inorganic CsPbI2Br Perovskite Solar Cells
Authors: Long Yi , Liu Kun , Zhang Yongli , Li Wenzhe
Published: June 2021

Inorganic cesium lead halide perovskites, as alternative light absorbers for organic–inorganic hybrid perovskite solar cells, have attracted more and more attention due to their superb thermal stability for photovoltaic applications. However, the humid air instability of CsPbI2Br perovskite solar cells (PSCs) hinders their further development. The optoelectronic properties of CsPbI2Br films are closely related to the quality of films, so preparing high-quality perovskite films is crucial for fabricating high-performance PSCs. For the first time, we demonstrate that the regulation of ambient temperature of the dry air in the glovebox is able to control the growth of CsPbI2Br crystals and further optimize the morphology of CsPbI2Br film. Through controlling the ambient air temperature assisted crystallization, high-quality CsPbI2Br films are obtained, with advantages such as larger crystalline grains, negligible crystal boundaries, absence of pinholes, lower defect density, and faster carrier mobility. Accordingly, the PSCs based on as-prepared CsPbI2Br film achieve a power conversion efficiency of 15.5% (the maximum stabilized power output of 15.02%). Moreover, the optimized CsPbI2Br films show excellent robustness against moisture and oxygen and maintain the photovoltaic dark phase after 3 h aging in an air atmosphere at room temperature and 35% relative humidity (R.H.). In comparison, the pristine films are completely converted to the yellow phase in 1.5 h.
Photocatalytic Activity of Fibrous Ti/Ce Oxides Obtained by Hydrothermal Impregnation of Short Flax Fibers
Authors: Butman Mikhail F. , Kochkina Nataliya E. , Ovchinnikov Nikolay L. , Krämer Karl W.
Published: June 2021

Fibrous Ti/Ce oxide photocatalysts were prepared for the first time by a biomimetic solution process using short flax fibers (flax straw processing waste) as a biotemplate. Titanium polyhydroxy complex solutions with 3% and 5% cerium were used as precursors. Flax fibers were impregnated in an autoclave under hydrothermal conditions. Ti/Ce oxides were obtained from the biotemplate by annealing at 600 °C. The photocatalytic activity of the Ti/Ce oxides was studied by the adsorption and decomposition of the dye rhodamine B under UV irradiation. The photocatalytic decomposition of the dye was 50% and 75% faster for Ti/Ce oxides with 3% and 5% Ce, respectively, than for the analogous undoped fibrous TiO2. The morphologies, textures, and structures of the photocatalysts were studied by scanning electron microscopy, low temperature N2 adsorption/desorption, UV-Vis spectroscopy, and X-ray and XPS analytical methods. It was shown that the introduction of Ce into the precursor solution increased the surface irregularity of the Ti/Ce oxide crystallites compared to pure TiO2. This effect scaled with the Ce concentration. Ce improved the UV light absorption of the material. The Ti/Ce oxides contained Ce4+/Ce3+ pairs that played an important role in redox processes and intensified the photocatalytic activity.
Reversal of Enantioselectivity in the Conjugate Addition Reaction of Cyclic Enones with the CuOTf/Azolium Catalytic System
Authors: Nakano Yuki , Shimizu Satoki , Takeda Chihiro , Sakaguchi Satoshi
Published: June 2021

Hydroxyamide-functionalized azolium salt (NHC•HI 4) was evaluated for dual enantioselective control in a Cu-catalyzed asymmetric conjugate addition (ACA) reaction. This investigation was based on our previously reported ACA reaction catalyzed using CuOTf combined with NHC•AgI complex 1. It was revealed that the stereocontrol of the catalytic ACA reaction depended on the order of the addition of the substrates. Additionally, the chiral NHC ligand precursors, substrates, the relationship between the catalyst ee (eecat) and product ee (eepro), and halogen counter anion were completely evaluated. These results suggested that the catalytic performance of the CuOTf/4 system was comparable with that of the CuOTf/1 system. Furthermore, to gain knowledge of the Cu species generated using CuOTf and NHC ligand precursor, the reaction of CuOTf with 1 was investigated. Although obtaining the corresponding NHC•CuX species failed, the corresponding NHC•AuCl complex 11 could be synthesized by allowing 1 to react with AuCl•SMe2.
Resistant Starch Contents of Starch Isolated from Black Longan Seeds
Authors: Kittipongpatana Nisit , Wiriyacharee Pairote , Phongphisutthinant Rewat , Chaipoot Supakit , Somjai Chalermkwan , Kittipongpatana Ornanong S.
Published: June 2021

A large quantity of longan fruits (Dimocarpus longan Lour.) produced annually are processed into many products, one of which is black longan, from which the dried, dark-brown meat has been used medicinally in traditional medicine, while the starch-containing seeds are discarded. In this study, starch samples (BLGSs) were isolated from seeds of black longan fruits prepared using varied conditions. The in vitro digestibility was determined in comparison with those extracted from fresh (FLGS) and dried (DLGS) seeds. Scanning electron microscopy (SEM), X-ray diffraction (XRD), differential scanning calorimetry (DSC), and Fourier transform infrared (FTIR) spectroscopy were employed to evaluate the starch properties. The results showed that the yields of FLGS, DLGS, and BLGSs were 20%, 23%, and 16–22% w/w, respectively. SEM images showed starch granules of mixed shapes, with sizes up to 15 µm in all samples. XRD patterns confirmed an A-type crystallinity for FLGS and DLGS, with strong refraction peaks at 2θ = 15°, 17°, 18°, and 23°, while BLGSs also showed detectable peaks at 2θ = 10° and 21°, which suggested V-type structures. Thermal properties corroborated the changes by showing increases in peak gelatinization temperature (Tp) and enthalpy energy (ΔH) in BLGSs. The paste viscosity of BLGSs (5% w/w) decreased by 20–58% from that of FLGS. The FTIR peak ratio at 1045/1022 and 1022/995 cm−1 also indicated an increase in ordered structure in BLGSs compared to FLGS. The significant increase in the amounts of slowly digestible starch (SDS) and resistant starch (RS) in BLGSs compared to FLGS, especially at a prolonged incubation time of 20 (4.2×) and 30 days (4.1×), was proposed to be due to the heat-induced formation of starch inclusion with other components inside the seed during the black longan production process. Thus, black longan seed could be a new source of starch, with increased RS content, for potential use in the food and related industries.
The Effect of High Fat Diet on Cerebrovascular Health and Pathology: A Species Comparative Review
Authors: Zimmerman Benjamin , Kundu Payel , Rooney William D. , Raber Jacob
Published: June 2021

In both humans and animal models, consumption of a high-saturated-fat diet has been linked to vascular dysfunction and cognitive impairments. Laboratory animals provide excellent models for more invasive high-fat-diet-related research. However, the physiological differences between humans and common animal models in terms of how they react metabolically to high-fat diets need to be considered. Here, we review the factors that may affect the translatability of mechanistic research in animal models, paying special attention to the effects of a high-fat diet on vascular outcomes. We draw attention to the dissociation between metabolic syndrome and dyslipidemia in rodents, unlike the state in humans, where the two commonly occur. We also discuss the differential vulnerability between species to the metabolic and vascular effects of macronutrients in the diet. Findings from animal studies are better interpreted as modeling specific aspects of dysfunction. We conclude that the differences between species provide an opportunity to explore why some species are protected from the detrimental aspects of high-fat-diet-induced dysfunction, and to translate these findings into benefits for human health.
Toxic Metal Species and ‘Endogenous’ Metalloproteins at the Blood–Organ Interface: Analytical and Bioinorganic Aspects
Authors: Bridle Tristen G. , Kumarathasan Premkumari , Gailer Jürgen
Published: June 2021

Globally, human exposure to environmental pollutants causes an estimated 9 million deaths per year and it could also be implicated in the etiology of diseases that do not appear to have a genetic origin. Accordingly, there is a need to gain information about the biomolecular mechanisms that causally link exposure to inorganic environmental pollutants with distinct adverse health effects. Although the analysis of blood plasma and red blood cell (RBC) cytosol can provide important biochemical information about these mechanisms, the inherent complexity of these biological matrices can make this a difficult task. In this perspective, we will examine the use of metalloentities that are present in plasma and RBC cytosol as potential exposure biomarkers to assess human exposure to inorganic pollutants. Our primary objective is to explore the principal bioinorganic processes that contribute to increased or decreased metalloprotein concentrations in plasma and/or RBC cytosol. Furthermore, we will also identify metabolites which can form in the bloodstream and contain essential as well as toxic metals for use as exposure biomarkers. While the latter metal species represent useful biomarkers for short-term exposure, endogenous plasma metalloproteins represent indicators to assess the long-term exposure of an individual to inorganic pollutants. Based on these considerations, the quantification of metalloentities in blood plasma and/or RBC cytosol is identified as a feasible research avenue to better understand the adverse health effects that are associated with chronic exposure of various human populations to inorganic pollutants. Exposure to these pollutants will likely increase as a consequence of technological advances, including the fast-growing applications of metal-based engineering nanomaterials.
Synthetic Routes to Coumarin(Benzopyrone)-Fused Five-Membered Aromatic Heterocycles Built on the α-Pyrone Moiety. Part II: Five-Membered Aromatic Rings with Multi Heteroatoms
Authors: El-Sawy Eslam Reda , Abdelwahab Ahmed Bakr , Kirsch Gilbert
Published: June 2021

Coumarins are natural heterocycles that widely contribute to the design of various biologically active compounds. Fusing different aromatic heterocycles with coumarin at its 3,4-position is one of the interesting approaches to generating novel molecules with various biological activities. During our continuing interest in assembling information about fused five-membered aromatic heterocycles, and after having presented mono-hetero-atomic five-membered aromatic heterocycles in Part I. The current review Part II is intended to present an overview of the different synthetic routes to coumarin (benzopyrone)-fused five-membered aromatic heterocycles with multi-heteroatoms built on the pyrone ring, covering the literature from 1945 to 2021.
Characterizing the Volatile and Sensory Profiles, and Sugar Content of Beeswax, Beebread, Bee Pollen, and Honey
Authors: Starowicz Małgorzata , Hanus Paweł , Lamparski Grzegorz , Sawicki Tomasz
Published: June 2021

Bee products are a well-known remedy against numerous diseases. However, from the consumers’ perspective, it is essential to define factors that can affect their sensory acceptance. This investigation aimed to evaluate the volatile and sensory profiles, and sugar composition of beeswax, beebread, pollen, and honey. According to the HS-SPME/GC-MS results, 20 volatiles were identified in beeswax and honey, then 32 in beebread, and 33 in pollen. Alkanes were found to dominate in beeswax, beebread, and pollen, while aldehydes and monoterpenes in honey. In the case of sugars, a higher content of fructose was determined in beebread, bee pollen, and honey, whereas the highest content of glucose was assayed in beeswax. In the QDA, the highest aroma intensity characterized as honey-like and sweet was found in honey, while the acid aroma was typical of beebread. Other odor descriptors, including waxy, pungent, and plant-based aromas were noted only in beeswax, honey, and pollen, respectively.
Methyl-Cyclohexane Methanol (MCHM) Isomer-Dependent Binding on Amorphous Carbon Surfaces
Authors: Alexander William A.
Published: June 2021

In January 2014, over 10,000 gallons of methyl-cyclohexane methanol (MCHM) leaked into the Elk River in West Virginia, in a chemical spill incident that contaminated a large portion of the state’s water supply and left over 300,000 residents without clean water for many days and weeks. Initial efforts to remove MCHM at the treatment plant centered on the use of granulated activated carbon (GAC), which removed some of the chemical from the water, but MCHM levels were not lowered to a “non-detect” status until well after the chemical plume had moved downstream of the intake. Months later, MCHM was again detected at the outflow (but not the inflow) at the water treatment facility, necessitating the full and costly replacement of all GAC in the facility. The purpose of this study is to investigate the hypothesis that preferential absorbance of one of the two MCHM isomers, coupled with seasonal variations in water temperature, explain this contrary observation. Calculated intermolecular potentials between ovalene (a large planar polycyclic aromatic hydrocarbon) and the MCHM isomers were compared to physisorption potentials of MCHM onto an amorphous carbon model. While a molecular mechanics (MM) force field predicts no difference in the average interaction potentials between the cis- and trans-MCHM with the planar ovalene structure, MM predicts that the trans isomer binds stronger than the cis isomer to the amorphous carbon surface. Semi-empirical and density functional theory also predict stronger binding of trans-MCHM on both the planar and amorphous surfaces. The differences in the isomer binding strengths on amorphous carbon imply preferential absorbance of the trans isomer onto activated charcoal filter media. Considering seasonal water temperatures, simple Arrhenius kinetics arguments based on these predicted binding energies help explain the environmental observations of MCHM leeching from the GAC filters months after the spill. Overall, this work shows the important implications that can arise from detailed interfacial chemistry investigations.
The Chemical Compositions, and Antibacterial and Antioxidant Activities of Four Types of Citrus Essential Oils
Authors: Lin Xiaocai , Cao Shan , Sun Jingyu , Lu Dongliang , Zhong Balian , Chun Jiong
Published: June 2021

Nanfeng mandarins (Citrus reticulata Blanco cv. Kinokuni), Xunwu mandarins (Citrus reticulata Blanco), Yangshuo kumquats (Citrus japonica Thunb) and physiologically dropped navel oranges (Citrus sinensis Osbeck cv. Newhall) were used as materials to extract peel essential oils (EOs) via hydrodistillation. The chemical composition, and antibacterial and antioxidant activities of the EOs were investigated. GC-MS analysis showed that monoterpene hydrocarbons were the major components and limonene was the predominate compound for all citrus EOs. The antibacterial testing of EOs against five different bacteria (Bacillus subtilis, Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa and Salmonella typhimurium) was carried out using the filter paper method and the broth microdilution method. Kumquat EO had the best inhibitory effect on B. subtilis, E. coli and S. typhimurium with MIC (minimum inhibitory concentration) values of 1.56, 1.56 and 6.25 µL/mL, respectively. All citrus EOs showed the antioxidant activity of scavenging DPPH and ABTS free radicals in a dose-dependent manner. Nanfeng mandarin EO presented the best antioxidant activity, with IC50 values of 15.20 mg/mL for the DPPH assay and 0.80 mg/mL for the ABTS assay. The results also showed that the antibacterial activities of EOs might not be related to their antioxidant activities.
The Advantage of Automatic Peer-Reviewing of 13C-NMR Reference Data Using the CSEARCH-Protocol
Authors: Robien Wolfgang
Published: June 2021

A systematic investigation of the experimental 13C-NMR spectra published in Molecules during the period of 1996 to 2015 with respect to their quality using CSEARCH-technology is described. It is shown that the systematic application of the CSEARCH-Robot-Referee during the peer-reviewing process prohibits at least the most trivial assignment errors and wrong structure proposals. In many cases, the correction of the assignments/chemical shift values is possible by manual inspection of the published tables; in certain cases, reprocessing of the original experimental data might help to clarify the situation, showing the urgent need for a public domain repository. A comparison of the significant key numbers derived for Molecules against those of other important journals in the field of natural product chemistry shows a quite similar level of quality for all publishers responsible for the six journals under investigation. From the results of this study, general rules for data handling, data storage, and manuscript preparation can be derived, helping to increase the quality of published NMR-data and making these data available as validated reference material.
Effect of Pyrolysis Temperature on the Characterisation of Dissolved Organic Matter from Pyroligneous Acid
Authors: Guo Genmao , Wang Qingqing , Huang Qing , Fu Qionglin , Liu Yin , Wang Junfeng , Hu Shan , Mašek Ondřej , Wang Luya , Zhang Ju
Published: June 2021

Dissolved organic matter (DOM) greatly influences the transformation of nutrients and pollutants in the environment. To investigate the effects of pyrolysis temperatures on the composition and evolution of pyroligneous acid (PA)-derived DOM, DOM solutions extracted from a series of PA derived from eucalyptus at five pyrolysis temperature ranges (240–420 °C) were analysed with Fourier transform infrared spectroscopy, gas chromatography–mass spectroscopy, and fluorescence spectroscopy. Results showed that the dissolved organic carbon content sharply increased (p < 0.05) with an increase in pyrolysis temperature. Analysis of the dissolved organic matter composition showed that humic-acid-like substances (71.34–100%) dominated and other fluorescent components (i.e., fulvic-acid-like, soluble microbial by-products, and proteinlike substances) disappeared at high temperatures (>370 °C). The results of two-dimensional correlation spectroscopic analysis suggested that with increasing pyrolysis temperatures, the humic-acid-like substances became more sensitive than other fluorescent components. This study provides valuable information on the characteristic evolution of PA-derived DOM.
Incorporation of Nonmetal Group Dopants into g-C3N4 Framework for Highly Improved Photocatalytic H2 Production
Authors: Xing Weinan , Cheng Ke , Zhang Yichi , Ran Jie , Wu Guangyu
Published: June 2021

The incorporation of nonmetal group dopants into a graphitic carbon nitride (g-C3N4) framework is fabricated by adding a small amount of hexamethylenetetramine during the thermal polymerization process. The material shows an excellent visible-light photocatalytic H2 production performance that is eight times higher than bulk g-C3N4. This outstanding performance is ascribed to the introducing of N-doped carbon, which not only enhances the light absorption and favorsa narrower band gap, but also upshifts the conductionband (CB) potential, resulting in a better reduction ability of electrons. This discovery has potential significancefor the designing of high performance, economic, and environmental friendly photocatalyst for solar energy conversion.
Fabrication of Perovskite Film-Coated Hollow Capillary Fibers Using a Fast Solvent Exchange Method
Authors: Li Xuesong , Zeng Pan , Ou Qiongrong , Zhang Shuyu
Published: June 2021

Metal halide perovskites have been successfully applied in a variety of fields such as LEDs, lasers and solar cells, thanks to their excellent optoelectronic properties. Capillary fibers can further expand the range of perovskite applications and at the same time improve its stability by encapsulating the perovskite inside the capillary. However, the high-quality perovskite film-coated hollow capillary fibers have yet to be realized. Here, we introduce a fast solvent exchange method which is used for the preparation of neat and smooth perovskite films deposited on the inner surface of capillary fibers. We demonstrate that this fast solvent exchange method is superior to the commonly used spontaneous diffusion-based precipitation method. The obtained hollow capillary fibers show a narrowed spectral width of 4.9 nm under pulse excitation due to the optical cavity effect. This new fabrication method can facilitate the development of perovskites in the fields of capillary lasing, microfluidic sensing, flexible LEDs and luminous fabrics.
Tunable Adhesive Self-Cleaning Coating with Superhydrophobicity and Photocatalytic Activity
Authors: Wang Xuan , Ao Weihua , Sun Sijia , Zhang Han , Zhou Run , Li Yangzi , Wang Jie , Ding Hao
Published: June 2021

Superhydrophobic coatings with intelligent properties have attracted much attention because of their wide application in many fields. However, there is a limited amount of literature on superhydrophobic coatings whose wettability and adhesion can be adjusted by UV irradiation and calcination at the same time. In this study, amorphous SiO2 microspheres (A-SiO2) and nano-TiO2 particles (N-TiO2) were used to fabricate A-SiO2/N-TiO2 composites by wet grinding, and then, they were modified with polydimethylsiloxane (PDMS) and sprayed onto substrate surfaces to obtain a tunable adhesive superhydrophobic A-SiO2/N-TiO2@PDMS coating. It is worth noting that the wettability and adhesion of the coating to water droplets could be adjusted by UV irradiation and calcination. The mechanisms of the aforementioned phenomena were studied. Moreover, methyl orange solution could be degraded by the coating due to its photocatalysis. The as-prepared coating had good adaptation to different substrates and outdoor environments. Moreover, the surfaces of these coatings exhibited the same liquid repellency towards different droplets. This research provides an environmental strategy to prepare advanced self-cleaning coatings.
Leptospira Seropositivity in Humans, Livestock and Wild Animals in a Semi-Arid Area of Tanzania
Authors: Mgode Georgies F. , Mhamphi Ginethon G. , Massawe Apia W. , Machang’u Robert S.
Published: June 2021

Background: Leptospirosis is among the major neglected zoonoses in developing countries. The prevalence of leptospirosis remains underestimated in many African countries because of limited diagnostic facilities. We studied Leptospira seropositivity prevalence in humans, sheep, goats and rodents in a semi-arid region of central Tanzania and compared findings with reports from humid tropical areas. The aims were to establish the disease burden in different settings; understand circulating Leptospira serovars and potential major reservoirs for establishing appropriate control measures. Methods: Humans, sheep, goats, rodents and shrews (insectivores) were sampled from Bahi district, a semi-arid area in central Tanzania. Samples were tested for leptospiral antibodies using microscopic agglutination test (MAT) consisting of Leptospira serovars mainly reported in Tanzania and reference strains. Findings were compared with previous data to determine the disease epidemiological patterns. Results and conclusion: Semi-arid area showed high Leptospira seropositivity prevalence in humans and domestic animals due to intensive human–animal interactions at scarce water points and by flash flooding which occur in the area. Rodent population in the semi-arid areas was relatively low due to flooding. Leptospira seropositivity in rodents was also slightly lower, and the rodents appeared to be prolific breeders, probably as a means to compensate for the lost population during extreme drought as well as during short spells of floods. Intensive human–animal interaction in the semi-arid areas especially, in water sources in valleys where human and animals often meet, likely increased the risk of leptospirosis transmission to rice farmers in the area. Goats and sheep which are kept around homesteads had higher leptospiral antibodies prevalence (62%), nearly double of the 38% reported in same species in humid tropical regions of Tanzania. Livestock, especially goats and sheep, could be the major source of leptospirosis transmission to humans. Vaccination of livestock with vaccines against local Leptospira strains should be encouraged, and rodent control emphasized, as part of a management strategy against leptospirosis. Public awareness of leptospirosis must also be raised and supported by availability of rapid test kits in clinics for preliminary testing of leptospirosis in people with fevers of unknown origin.
Tunable Waveguides Couplers Based on HPDLC for See-Through Applications
Authors: Gallego Sergi , Puerto Daniel , Morales-Vidal Marta , Ramirez Manuel G. , Taleb Soumia I. , Hernández Antonio , Ortuño Manuel , Neipp Cristian
Published: June 2021

Photopolymers have become an important recording material for many applications, mainly related to holography. Their flexibility to change the chemical composition together with the optical properties made them a versatile holographic recording material. The introduction of liquid crystal molecules in a photopolymer based on multifunctional monomer provides us the possibility to generate tunable holograms. The switchable holographic elements are a key point for see-through applications. In this work, we optimize the holographic polymer-dispersed liquid crystals composition to improve the performance of tunable waveguide couplers based on transmission gratings and specifically their response under an applied electric field. A variation around 60% in the transmission efficiency was achieved.
Prevalence of Dementia in Older Adults in Central and Eastern Europe: A Systematic Review and Meta-Analysis
Authors: Cenko Blerta , Ozgo Emilia , Rapaport Penny , Mukadam Naaheed
Published: June 2021

Data on dementia prevalence in Europe are primarily based on studies from Western Europe. Central and Eastern European countries differ from Western European countries in their average income and other socioeconomic and health factors that are relevant for dementia risk. We, therefore, conducted a systematic review of population-based studies on prevalence of dementia in Central and Eastern Europe. We searched in electronic databases from the date of inception up to July 2019, updated in October 2020. We hand-searched references of included articles and contacted experts in each country to identify further articles. We combined studies by meta-analysis where possible. Ten population-based studies (n = 30,268) met inclusion criteria. We meta-analysed seven studies (n = 11,994). The selected studies were conducted across 5 countries with no studies identified for the vast majority of countries in this region. Prevalence of all-cause dementia was 6.7% (95% CI 5.1–8.2) in those aged 60 or over, and 7.1% (95% CI 5.1–9.2) in those aged 65 and over. Prevalence rates were similar to those in Western Europe, but are increasing over time, compared with the patterns of reduction in age-specific prevalence in Western Europe.
Post-Islamism in Tunisia and Egypt: Contradictory Trajectories
Authors: Ben Lazreg Houssem
Published: June 2021

In the wake of the Tunisian Revolution of 2011, Ennahda leader Rached Ghannouchi distanced his party from the main Islamist paradigm, which is spearheaded primarily by the Muslim Brotherhood in Egypt, and announced the separation of the religious movement entirely from its political wing (al-Siyasi and al-da’awi). In addition to reassuring Tunisians that Ennahda’s socio-political project is rooted in its “Tunisianity,” these measures aimed at signaling Ennahda’s joining the camp of post-Islamist parties and Muslim democrats such as the AKP in Turkey and the JDP in Morocco. In this article, using the comparative case studies, I examine the patterns, similarities, and differences between the Tunisian Ennahda party and the Egyptian Muslim Brotherhood in terms of their evolutions from an Islamist to a post-Islamist discourse and identity. I argue that the Ennahda party outpaced the Muslim Brotherhood in that shift considering the local/regional realities and the new compromises dictated by the post-revolutionary political processes in both countries. Although the Muslim Brotherhood managed to come to power and govern for only one year before being deposed by the army, Ennahda’s political pragmatism (consensus, compromise, and coalition) enabled it to fare well, ultimately prodding the party to adapt and reposition itself intellectually and politically.
Diagnostically Oriented Experiments and Modelling of Switched Reluctance Motor Dynamic Eccentricity
Authors: Lorencki Jakub , Radkowski Stanisław , Gontarz Szymon
Published: June 2021

The article compares the results of experimental and modelling research of switched reluctance motor at two different operational states: one proper and one with mechanical fault, i.e., with dynamic eccentricity of the rotor. The experiments were carried out on a test bench and then the results were compared with mathematical modelling of quasi-static and dynamic analysis of 2D geometry model. Finally, it was examined how the operation with dynamic eccentricity fault of the motor affected its main physical parameter—the phase current. The analysis was presented in the frequency domain using the Fast Fourier Transform (FFT); however, individual current waveforms in the time domain are also shown for comparison. Applying results of the research could increase reliability of the maintenance of SRM and enhance its application in vehicles for special purposes as well as its military and industrial applications.
Analysis of Head Impact Biomechanics in Youth Female Soccer Players Following the Get aHEAD Safely in Soccer™ Heading Intervention
Authors: Wahlquist Victoria E. , Kaminski Thomas W.
Published: June 2021

The effects of repetitive head impacts associated with soccer heading, especially in the youth population, are unknown. The purpose of this study was to examine balance, neurocognitive function, and head impact biomechanics after an acute bout of heading before and after the Get aHEAD Safely in Soccer™ program intervention. Twelve youth female soccer players wore a Triax SIM-G head impact sensor during two bouts of heading, using a lightweight soccer ball, one before and one after completion of the Get aHEAD Safely in Soccer™ program intervention. Participants completed balance (BESS and SWAY) and neurocognitive function (ImPACT) tests at baseline and after each bout of heading. There were no significant changes in head impact biomechanics, BESS, or ImPACT scores pre- to post-season. Deficits in three of the five SWAY positions were observed from baseline to post-season. Although we expected to see beneficial changes in head impact biomechanics following the intervention, the coaches and researchers observed an improvement in heading technique/form. Lightweight soccer balls would be a beneficial addition to header drills during training as they are safe and help build confidence in youth soccer players.
AFOROS: A Low-Cost Wi-Fi-Based Monitoring System for Estimating Occupancy of Public Spaces
Authors: Vega-Barbas Mario , Álvarez-Campana Manuel , Rivera Diego , Sanz Mario , Berrocal Julio
Published: June 2021

Estimating the number of people present in a given venue in real-time is extremely useful from a security, management, and resource optimization perspective. This article presents the architecture of a system based on the use of Wi-Fi sensor devices that allows estimating, almost in real-time, the number of people attending an event that is taking place in a venue. The estimate is based on the analysis of the “probe request” messages periodically transmitted by smartphones to determine the existence of Wi-Fi access points in the vicinity. The method considers the MAC address randomization mechanisms introduced in recent years in smartphones, which prevents the estimation of the number of devices by simply counting different MAC addresses. To solve this difficulty, our Wi-Fi sensors analyze other fields present in the header of the IEEE 802.11 frames, the information elements, to extract a unique fingerprint from each smartphone. The designed system was tested in a set of real scenarios, obtaining an estimate of attendance at different public events with an accuracy close to 95%.
Hemorrhage Detection Based on 3D CNN Deep Learning Framework and Feature Fusion for Evaluating Retinal Abnormality in Diabetic Patients
Authors: Maqsood Sarmad , Damaševičius Robertas , Maskeliūnas Rytis
Published: June 2021

Diabetic retinopathy (DR) is the main cause of blindness in diabetic patients. Early and accurate diagnosis can improve the analysis and prognosis of the disease. One of the earliest symptoms of DR are the hemorrhages in the retina. Therefore, we propose a new method for accurate hemorrhage detection from the retinal fundus images. First, the proposed method uses the modified contrast enhancement method to improve the edge details from the input retinal fundus images. In the second stage, a new convolutional neural network (CNN) architecture is proposed to detect hemorrhages. A modified pre-trained CNN model is used to extract features from the detected hemorrhages. In the third stage, all extracted feature vectors are fused using the convolutional sparse image decomposition method, and finally, the best features are selected by using the multi-logistic regression controlled entropy variance approach. The proposed method is evaluated on 1509 images from HRF, DRIVE, STARE, MESSIDOR, DIARETDB0, and DIARETDB1 databases and achieves the average accuracy of 97.71%, which is superior to the previous works. Moreover, the proposed hemorrhage detection system attains better performance, in terms of visual quality and quantitative analysis with high accuracy, in comparison with the state-of-the-art methods.