bluuebunny/crossref_metadata_2025 huggingface dataset:
Structure and Dynamics of Spider Silk Studied with Solid-State Nuclear Magnetic Resonance and Molecular Dynamics Simulation
Authors: Asakura Tetsuo
Published: June 2020

This review will introduce very recent studies using solid-state nuclear magnetic resonance (NMR) and molecular dynamics (MD) simulation on the structure and dynamics of spider dragline silks conducted by the author’s research group. Spider dragline silks possess extraordinary mechanical properties by combining high tensile strength with outstanding elongation before breaking, and therefore continue to attract attention of researchers in biology, biochemistry, biophysics, analytical chemistry, polymer technology, textile technology, and tissue engineering. However, the inherently non-crystalline structure means that X-ray diffraction and electron diffraction methods provide only limited information because it is difficult to study the molecular structure of the amorphous region. The most detailed picture of the structure and dynamics of the silks in the solid state experimentally have come from solid-state NMR measurements coupled with stable isotope labeling of the silks and the related silk peptides. In addition, combination of solid-state NMR and MD simulation was very powerful analytical tools to understand the local conformation and dynamics of the spider dragline silk in atomic resolution. In this review, the author will emphasize how solid-state NMR and MD simulation have contributed to a better understanding of the structure and dynamics in the spider dragline silks.
Photoexcitation of Ge9− Clusters in THF: New Insights into the Ultrafast Relaxation Dynamics and the Influence of the Cation
Authors: Michenfelder Nadine C. , Gienger Christian , Dilanas Melina , Schnepf Andreas , Unterreiner Andreas-Neil
Published: June 2020

We present a comprehensive femtosecond (fs) transient absorption study of the [Ge9(Hyp)3]− (Hyp = Si(SiMe3)3) cluster solvated in tetrahydrofuran (THF) with special emphasis on intra- and intermolecular charge transfer mechanisms which can be tuned by exchange of the counterion and by dimerization of the cluster. The examination of the visible and the near infrared (NIR) spectral range reveals four different processes of cluster dynamics after UV (267/258 nm) photoexcitation related to charge transfer to solvent and localized excited states in the cluster. The resulting transient absorption is mainly observed in the NIR region. In the UV-Vis range transient absorption of the (neutral) cluster core with similar dynamics can be observed. By transferring concepts of: (i) charge transfer to the solvent known from solvated Na− in THF and (ii) charge transfer in bulk-like materials on metalloid cluster systems containing [Ge9(Hyp)3]− moieties, we can nicely interpret the experimental findings for the different compounds. The first process occurs on a fs timescale and is attributed to localization of the excited electron in the quasi-conduction band/excited state which competes with a charge transfer to the solvent. The latter leads to an excess electron initially located in the vicinity of the parent cluster within the same solvent shell. In a second step, it can recombine with the cluster core with time constants in the picosecond (ps) timescale. Some electrons can escape the influence of the cluster leading to a solvated electron or after interaction with a cation to a contact pair both with lifetimes exceeding our experimentally accessible time window of 1 nanosecond (ns). An additional time constant on a tens of ps timescale is pronounced in the UV-Vis range which can be attributed to the recombination rate of the excited state or quasi conduction band of Ge9−. In the dimer, the excess electron cannot escape the molecule due to strong trapping by the Zn cation that links the two cluster cores.
The Effects of Eugenol, Trans-Cinnamaldehyde, Citronellol, and Terpineol on Escherichia coli Biofilm Control as Assessed by Culture-Dependent and -Independent Methods
Authors: Olszewska Magdalena A. , Gędas Astrid , Simões Manuel
Published: June 2020

Bacterial biofilms contribute to problems with preserving food hygiene, jeopardizing any conventional intervention method used by the food industry. Hence, the approach of using essential oil (EO) compounds effective in biofilm control has considerable merit and deserves in-depth research. In this study, the effect of selected EO compounds (eugenol, trans-cinnamaldehyde, citronellol, and terpineol) was assessed on Escherichia coli biofilm control by plate count, resazurin assay, and Syto® 9/PI (-/propidium iodide) staining coupled with flow cytometry (FCM) and confocal laser scanning microscopy (CLSM). The selected EO compounds effectively inhibited the growth of planktonic E. coli at low concentrations of 3–5 mM, revealing a high antimicrobial activity. EO compounds markedly interfered with biofilms too, with trans-cinnamaldehyde causing the most prominent effects. Its antibiofilm activity was manifested by a high reduction of cell metabolic activity (>60%) and almost complete reduction in biofilm cell culturability. In addition, almost 90% of the total cells had perturbed cell membranes. Trans-cinnamaldehyde further impacted the cell morphology resulting in the filamentation and, thus, in the creation of a mesh network of cells. Citronellol scored the second in terms of the severity of the observed effects. However, most of all, it strongly prevented native microcolony formation. Eugenol and terpineol also affected the formation of a typical biofilm structure; however, small cell aggregates were still repeatedly found. Overall, eugenol caused the mildest impairment of cell membranes where 50% of the total cells showed the Syto® 9+/PI– pattern coupled with healthy cells and another 48% with injured cells (the Syto® 9+/PI+). For terpineol, despite a similar percentage of healthy cells, another 45% was shared between moderately (Syto® 9+PI+) and heavily (Syto® 9–PI+) damaged cells. The results highlight the importance of a multi-method approach for an accurate assessment of EO compounds’ action against biofilms and may help develop better strategies for their effective use in the food industry.
Synthesis and In Vitro Cytotoxicity and Antibacterial Activity of Novel 1,2,3-Triazol-5-yl-Phosphonates
Authors: Tripolszky Anna , Tóth Emese , Szabó Pál Tamás , Hackler László , Kari Beáta , Puskás László G. , Bálint Erika
Published: June 2020

Novel 1,2,3-triazol-5-yl-phosphonates were prepared by the copper(I)-catalyzed domino reaction of phenylacetylene, organic azides and dialkyl phosphites. The process was optimized on the synthesis of the dibutyl (1-benzyl-4-phenyl-1H-1,2,3-triazol-5-yl)phosphonate in respect of the catalyst, the base and the solvent, as well as of the reaction parameters (molar ratio of the starting materials, atmosphere, temperature and reaction time). The method elaborated could be applied to a range of organic azides and dialkyl phosphites, which confirmed the large scope and the functional group tolerance. The in vitro cytotoxicity on different cell lines and the antibacterial activity of the synthesized 1,2,3-triazol-5-yl-phosphonates was explored. According to the IC50 values determined, only modest antibacterial effect was detected, while some derivatives showed moderate activity against human promyelocytic leukemia HL-60 cells.
The Role of Percent Volume Buried in the Characterization of Copper(I) Complexes for Lighting Purposes
Authors: Alkan-Zambada Murat , Constable Edwin C. , Housecroft Catherine E.
Published: June 2020

The usefulness of percent volume buried (%Vbur) as a readily quantifiable property is investigated with regard to [Cu(NN)(PP)]+ complexes of interest for lighting purposes. Photoluminescence quantum yields (PLQYs) and single crystal X-ray structures of 100 reported compounds were assembled, %Vbur of the ligand systems were calculated and analyzed for correlations. We found that increased shielding of the central Cu(I) cation relying on shared contributions of both (NN) and (PP) ligand systems led to increased PLQYs. These findings are of relevance for future characterizations of Cu(I)-based complexes and their photophysical behavior in the solid-state.
Review on the Biological Detoxification of Mycotoxins Using Lactic Acid Bacteria to Enhance the Sustainability of Foods Supply
Authors: Muhialdin Belal J. , Saari Nazamid , Meor Hussin Anis Shobirin
Published: June 2020

The challenges to fulfill the demand for a safe food supply are dramatically increasing. Mycotoxins produced by certain fungi cause great economic loss and negative impact on the sustainability of food supplies. Moreover, the occurrence of mycotoxins at high levels in foods poses a high health threat for the consumers. Biological detoxification has exhibited a high potential to detoxify foodstuffs on a cost-effective and large scale. Lactic acid bacteria showed a good potential as an alternative strategy for the elimination of mycotoxins. The current review describes the health and economic impacts associated with mycotoxin contamination in foodstuffs. Moreover, this review highlights the biological detoxification of common food mycotoxins by lactic acid bacteria.
Effect of Different Clarification Treatments on the Volatile Composition and Aromatic Attributes of ‘Italian Riesling’ Icewine
Authors: Ma Teng-Zhen , Gong Peng-Fei , Lu Rong-Rong , Zhang Bo , Morata Antonio , Han Shun-Yu
Published: June 2020

The aim of this study was to evaluate the influence of clarification treatments on volatile composition and aromatic attributes of wine samples. ‘Italian Riesling’ icewines from the Hexi Corridor Region of China were clarified by fining agents (bentonite (BT) and soybean protein (SP)), membrane filtration (MF), and centrifugation (CF) methods. The clarity, physicochemical indexes, volatile components, and aromatic attributes of treated wines were investigated. Both the fining agents and mechanical clarification treatments increased the transmittance and decreased the color intensity of icewine samples. Bentonite fining significantly influenced the total sugar content, total acidity and volatile acidity. Total acidity decreased 2–3.5% and volatile acidity 2–12%. MF showed the greatest influence on total phenol content, decreasing the initial content by 12%, while other treatments by less than 8%. Volatile analysis indicated that both the categories and contents of volatile compounds of wine samples decreased. MF treatment showed the most significant influence, while SP fining showed much lower impact. Odor activity values indicated the compound with the highest odor activity in Italian Riesling icewines was β-damascenone. For this compound, BT and SP did not show significant differences, however, in MF and CF it decreased by 20% and 63%, respectively. Furthermore, with high impact on aroma were: ethyl hexanoate which reduced by 20–80% especially in MF; rose oxide which extremely reduced in MF and undetected in BT, SP, and CF; isoamyl acetate which reduced by 3–33% and linalool decreased by 10–20% and undetected for BT. Principle component analysis indicated that icewine clarified by different methods could be distinguished and positively correlated with odor-active compounds. Floral and fruity were the dominant aroma series in icewine samples followed by fatty, earthy, spicy, vegetative and pungent flavor. The total odor active value of these series significantly (p < 0.5) decreased in different clarification treatments. Sensory evaluation showed similar results, but the SP and CF wine samples achieved better sensory quality. This study provides information that could help to optimize the clarification of ice wines.
Xanthine Oxidase Inhibitory Activity, Chemical Composition, Antioxidant Properties and GC-MS Analysis of Keladi Candik (Alocasia longiloba Miq)
Authors: Abdulhafiz Ferid , Mohammed Arifullah , Kayat Fatimah , Bhaskar Matcha , Hamzah Zulhazman , Podapati Sanjay Kumar , Reddy Lebaka Veeranjaneya
Published: June 2020

Alocasia longiloba, locally known as ‘Keladi Candik’, has been used traditionally to treat wounds, furuncle and joint inflammations. A. longiloba can be a new source of herbal medicine against hyperuricemia by inhibiting the activity of xanthine oxidase enzyme, the enzyme which is responsible for the development of hyperuricemia in human. Existing xanthine oxidase inhibitors (XOI drugs) show several side effects on gout patients. Therefore, an alternative herbal medicine from plants, with high therapeutic property and free of side effects, are greatly needed. This study was conducted to evaluate XO inhibitory activity, chemical composition, antioxidant activity and GC-MS profile of A. longiloba. Our results showed that ethanolic petiole extract exhibited the highest XO inhibitory activity (70.40 ± 0.05%) with IC50 value of 42.71 μg/mL, followed by ethanolic fruit extracts (61.44 ± 1.24%) with the IC50 value of 51.32 μg/mL. In a parallel study, the phytochemical analysis showed the presence of alkaloid, flavonoid, terpenoids, glycoside and saponin in petiole and fruit extracts, as well as higher total phenolic and flavonoid contents and strong scavenging activity on DPPH and ABTS antioxidant assay. The GC-MS analysis of fruit and petiole extracts revealed the presence of various compounds belonging to different chemical nature, among them are limonen-6-ol, α-DGlucopyranoside, paromomycin, aziridine, phenol, Heptatriacotanol, Phen-1,2,3-dimethyl and Betulin found in ethanolic fruit extract, and Phen-1,4-diol,2,3-dimethyl-, 1-Ethynyl-3,trans(1,1-dimethylethyl), Phenol,2,6-dimethoxy-4-(2-propenyl)- and 7-Methyl-Z-tetradecen-1-olacetate found in ethanolic petiole extract. Some compounds were documented as potent anti-inflammatory and arthritis related diseases by other researchers. In this study, the efficiency of solvents to extract bioactives was found to be ethanol > water, methanol > hexane > chloroform. Together, our results suggest the prospective utilization of fruit and petiole of A. longiloba to inhibit the activity of XO enzyme.
Signature Ions in MS/MS Spectra for Dansyl-Aminohexyl-QQIV Adducts on Lysine
Authors: Schopfer Lawrence M. , Lockridge Oksana
Published: June 2020

Bacterial transglutaminase was used to label human plasma proteins with fluorescent tags. Protein lysines were modified with dansyl-epsilon-aminohexyl-Gln-Gln-Ile-Val-OH (dansylQQIV), while protein glutamines were modified with dansyl cadaverine. Labeled proteins included human butyrylcholinesterase, apolipoprotein A-1, haptoglobin, haptoglobin-related protein, immunoglobulin heavy chain, and hemopexin. Tryptic peptides were analyzed by LC-MS/MS on an Orbitrap Fusion Lumos mass spectrometer. Modified residues were identified in Protein Prospector and Proteome Discoverer searches of mass spectrometry data. The MS/MS fragmentation spectra from dansylQQIV-modified peptides gave intense peaks at 475.2015, 364.1691, 347.1426, 234.0585, and 170.0965 m/z. These signature ions are useful markers for identifying modified peptides. Human butyrylcholinesterase retained full activity following modification by dansylQQIV or dansyl cadaverine.
Fine Characterization of the Macromolecular Structure of Huainan Coal Using XRD, FTIR, 13C-CP/MAS NMR, SEM, and AFM Techniques
Authors: Wu Dun , Zhang Hui , Hu Guangqing , Zhang Wenyong
Published: June 2020

Research on the composition and structure of coal is the most important and complex basic research in the coal chemistry field. Various methods have been used to study the structure of coal from different perspectives. However, due to the complexity of coal and the limitations of research methods, research on the macromolecular structure of coal still lacks systematicness. Huainan coalfield is located in eastern China and is the largest coal production and processing base in the region. In this study, conventional proximate analysis and ultimate analysis, as well as advanced instrumental analysis methods, such as Fourier transform infrared spectroscopy (FITR), X-ray diffraction (XRD), 13C-CP/MAS NMR, and other methods (SEM and AFM), were used to analyze the molecular structure of Huainan coal (HNC) and the distribution characteristics of oxygen in different oxygen-containing functional groups (OCFGs) in an in-depth manner. On the basis of SEM observation, it could be concluded that the high-resolution morphology of HNC’s surface contains pores and fractures of different sizes. The loose arrangement pattern of HNC’s molecular structure could be seen from 3D AFM images. The XRD patterns show that the condensation degree of HNC’s aromatic ring is low, and the orientation degree of carbon network lamellae is poor. The calculated ratio of the diameter of aromatic ring lamellae to their stacking height (La/Lc = 1.05) and the effective stacking number of aromatic nuclei (Nave = 7.3) show that the molecular space structure of HNC is a cube formed of seven stacked aromatic lamellae. The FTIR spectra fitting results reveal that the aliphatic chains in HNC’s molecular structure are mainly methyne and methylene. Oxygen is mainly –O–, followed by –C=O, and contains a small amount of –OH, the ratio of which is about 8:1:2. The molar fraction of binding elements has the approximate molecular structure C100H76O9N of organic matter in HNC. The results of the 13C NMR experiments show that the form of aromatic carbon atoms in HNC’s structure (the average structural size Xb of aromatic nucleus = 0.16) is mainly naphthalene with a condensation degree of 2, and the rest are aromatic rings composed of benzene rings and heteroatoms. In addition, HNC is relatively rich in ≡CH and –CH2– structures.
α-Linolenic Acid-Enriched Cold-Pressed Perilla Oil Suppress High-Fat Diet-Induced Hepatic Steatosis through Amelioration of the ER Stress-Mediated Autophagy
Authors: Bae Su Ji , Kim Ji Eun , Choi Hyeon Jun , Choi Yun Ju , Lee Su Jin , Gong Jeong Eun , Seo Sungbaek , Yang Seung Yun , An Beum-Soo , Lee Hee Seob , Kim Dong Seob , Lee Chung Yeoul , Hwang Dae Youn
Published: June 2020

Perilla oil has been considered to have excellent potential for treating various diseases due to its contents of beneficial fatty acids, such as α-linolenic acid, oleic acid and linoleic acid. The therapeutic effects and molecular mechanism of an α-linolenic acid-enriched cold-pressed perilla oil (LEP) on hepatic steatosis of an obesity model were investigated by analyzing alterations in fat accumulation and endoplasmic reticulum (ER) stress-mediated autophagy, in high-fat diet (HFD)-induced obesity C57BL/6N mice treated with LEP for 16 weeks. Although no significant alterations were detected in body weight and most organ weights, the liver weight and accumulation of lipid droplets in the liver section were significantly lower in HFD + LEP treated group as compared to the HFD + Vehicle treated group. Reduced mRNA expression levels of adipogenesis and lipogenesis regulating factors, including the peroxisome proliferator-activated receptor (PPAR)γ, CCAAT/enhancer-binding protein (C/EBP)α, fatty acid synthase (FAS), and adipocyte fatty acid-binding protein 2 (aP2) were observed after LEP treatment for 16 weeks, while the levels of lipolysis were remarkably increased in the same group. Moreover, the LEP-treated groups showed suppression of ER stress-regulating factors, such as the C/EBP homologous protein (CHOP), eukaryotic translation initiation factor 2α (eIF2α), inositol-requiring protein 1 (IRE1)α, and Jun-N-terminal kinase (JNK) during anti-hepatic steatosis effects. The expression level of the microtubule-associated protein 1A/1B-light chain 3 (LC3) protein and phosphatidylinositol-3-kinase (PI3K)/AKT/ mammalian target of rapamycin (mTOR) pathway for the autophagy response showed a significant decrease in the HFD+LEP-treated group. Furthermore, ER stress-mediated autophagy was accompanied with enhanced phosphorylation of extracellular signal-regulated kinase (ERK), JNK, and p38 protein in the mitogen-activated protein (MAP) kinase signaling pathway. Taken together, the results of the present study indicate that treatment with LEP inhibits hepatic steatosis in the HFD-induced obese model through regulation of adipogenesis and lipolysis. We believe our results are the first to show that the anti-hepatic steatosis activity of α-linolenic acid from cold-pressed perilla oil might be tightly correlated with the amelioration of ER stress-mediated autophagy.
Response Factorial Design Analysis on Papain-Generated Hydrolysates from Actinopyga lecanora for Determination of Antioxidant and Antityrosinase Activities
Authors: Bahari Aqilah Noor , Saari Nazamid , Salim Norazlinaliza , Ashari Siti Efliza
Published: June 2020

Actinopyga lecanora (A. lecanora) is classified among the edible species of sea cucumber, known to be rich in protein. Its hydrolysates were reported to contain relatively high antioxidant activity. Antioxidants are one of the essential properties in cosmeceutical products especially to alleviate skin aging. In the present study, pH, reaction temperature, reaction time and enzyme/substrate ratio (E/S) have been identified as the parameters in the papain enzymatic hydrolysis of A. lecanora. The degree of hydrolysis (DH) with antioxidant activities of 2,2-diphenyl-1-picrylhydrazyl (DPPH) and ferric-reducing antioxidant power (FRAP) assays were used as the responses in the optimization. Analysis of variance (ANOVA), normal plot of residuals and 3D contour plots were evaluated to study the effects and interactions between parameters. The best conditions selected from the optimization were at pH 5.00, 70 °C of reaction temperature, 9 h of hydrolysis time and 1.00% enzyme/substrate (E/S) ratio, with the hydrolysates having 51.90% of DH, 42.70% of DPPH activity and 109.90 Fe2+μg/mL of FRAP activity. The A. lecanora hydrolysates (ALH) showed a high amount of hydrophobic amino acids (286.40 mg/g sample) that might be responsible for antioxidant and antityrosinase activities. Scanning electron microscopy (SEM) image of ALH shows smooth structures with pores. Antityrosinase activity of ALH exhibited inhibition of 31.50% for L-tyrosine substrate and 25.40% for L-DOPA substrate. This condition suggests that the optimized ALH acquired has the potential to be used as a bioactive ingredient for cosmeceutical applications.
The Impact of High-Pressure Processing on Physicochemical Properties and Sensory Characteristics of Three Different Lamb Meat Cuts
Authors: Ma Qianli , Hamid Nazimah , Oey Indrawati , Kantono Kevin , Farouk Mustafa
Published: June 2020

This study investigated the effects of high pressure processing (HPP) on the physicochemical properties and sensory characteristics of different lamb meat cuts. Lamb meat discolouration occurred when HPP was applied at 400 and 600 MPa. Thiobarbituric acid reactive substances (TBARS) values significantly increased with pressure increase from 200 to 600 MPa for loin cut, and 300 to 600 MPa for shoulder and shank cuts. Saturated fatty acid and polyunsaturated fatty acid content significantly decreased with pressure increase from 200 to 600 MPa for shank and shoulder cuts, and 300 to 600 MPa for loin cut. Free amino acids content significantly increased in shank and loin cuts with pressure increase after 200 MPa, and in shoulder cuts after 400 MPa. In addition, samples treated with HPP at high pressure levels of 400 and 600 MPa were associated with browned, livery and oxidized flavours. The pressure levels applied and type of cuts used are important considerations during HPP processing as they influenced physicochemical and sensory properties of lamb samples.
Antitumor and Anti-Metastatic Effects of Citral-Loaded Nanostructured Lipid Carrier in 4T1-Induced Breast Cancer Mouse Model
Authors: Nordin Noraini , Yeap Swee Keong , Rahman Heshu Sulaiman , Zamberi Nur Rizi , Mohamad Nurul Elyani , Abu Nadiah , Masarudin Mas Jaffri , Abdullah Rasedee , Alitheen Noorjahan Banu
Published: June 2020

Cancer nano-therapy has been progressing rapidly with the introduction of many novel drug delivery systems. The previous study has reported on the in vitro cytotoxicity of citral-loaded nanostructured lipid carrier (NLC-Citral) on MDA-MB-231 cells and some preliminary in vivo antitumor effects on 4T1 breast cancer cells challenged mice. However, the in vivo apoptosis induction and anti-metastatic effects of NLC-Citral have yet to be reported. In this study, the in vitro cytotoxic, anti-migration, and anti-invasion effects of NLC-Citral were tested on 4T1 breast cancer cells. In addition, the in vivo antitumor effects of oral delivery of NLC-Citral was also evaluated on BALB/c mice induced with 4T1 cells. In vitro cytotoxicity results showed that NLC-Citral and citral gave similar IC50 values on 4T1 cells. However, wound healing, migration, and invasion assays reflected better in vitro anti-metastasis potential for NLC-Citral than citral alone. Results from the in vivo study indicated that both NLC-Citral and citral have anti-tumor and anti-metastasis effects, whereby the NLC-Citral showed better efficacy than citral in all experiments. Also, the delay of tumor progression was through the suppression of the c-myc gene expression and induction of apoptosis in the tumor. In addition, the inhibition of metastasis of 4T1 cells to lung and bone marrow by the NLC-Citral and citral treatments was correlated with the downregulation of metastasis-related genes expression including MMP-9, ICAM, iNOS, and NF-kB and the angiogenesis-related proteins including G-CSF alpha, Eotaxin, bFGF, VEGF, IL-1alpha, and M-CSF in the tumor. Moreover, NLC-Citral showed greater downregulation of MMP-9, iNOS, ICAM, Eotaxin, bFGF, VEGF, and M-CSF than citral treatment in the 4T1-challenged mice, which may contribute to the better anti-metastatic effect of the encapsulated citral. This study suggests that NLC is a potential and effective delivery system for citral to target triple-negative breast cancer.
Valorization of Mushroom By-Products as a Source of Value-Added Compounds and Potential Applications
Authors: Antunes Filipa , Marçal Sara , Taofiq Oludemi , M. M. B. Morais Alcina , Freitas Ana Cristina , C. F. R. Ferreira Isabel , Pintado Manuela
Published: June 2020

Nowadays, the food sector is highly concerned with environmental issues and foreseen to develop strategies to reduce waste and losses resulting from activities developed in the food system. An approach is to increment added value to the agro-industrial wastes, which might provide economic growth and environmental protection, contributing to a circular economy. Mushroom by-products represent a disposal problem, but they are also promising sources of important compounds, which may be used due to their functional and nutritional properties. Research has been developed in different fields to obtain value added solutions for the by-products generated during mushroom production and processing. Bioactive compounds have been obtained and applied in the development of nutraceutical and pharmaceutical formulations. Additionally, other applications have been explored and include animal feed, fertilizer, bioremediation, energy production, bio-based materials, cosmetics and cosmeceuticals. The main purpose of this review is to highlight the relevant composition of mushroom by-products and discuss their potential as a source of functional compounds and other applications. Future research needs to explore pilot and industrial scale extraction methods to understand the technological feasibility and the economic sustainability of the bioactive compounds extraction and valorization towards different applications.
Influence of Several Compounds and Drugs on the Renal Uptake of Radiolabeled Affibody Molecules
Authors: Garousi Javad , Vorobyeva Anzhelika , Altai Mohamed
Published: June 2020

Affibody molecules are the most studied class of engineered scaffold proteins (ESPs) in radionuclide molecular imaging. Attempts to use affibody molecules directly labelled with radiometals for targeted radionuclide therapy were hampered by the high uptake and retention of radioactivity in kidneys. Several promising strategies have been implemented to circumvent this problem. Here, we investigated whether a pharmacological approach targeting different components of the reabsorption system could be used to lower the uptake of [99mTc]Tc-ZHER:2395 affibody molecule in kidneys. Pre-injection of probenecid, furosemide, mannitol or colchicine had no influence on activity uptake in kidneys compared to the control group. Mice pre-injected with maleate and fructose had 33% and 51% reduction in the kidney-associated activity, respectively, compared to the control group. Autoradiography images showed that the accumulation of activity after [99mTc]Tc-ZHER2:2395 injection was in the renal cortex and that both maleate and fructose could significantly reduce it. Results from this study demonstrate that pharmacological intervention with maleate and fructose was effective in reducing the kidney uptake of affibody molecules. A presumable mechanism is the disruption of ATP-mediated cellular uptake and endocytosis processes of affibody molecules by tubular cells.
An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation
Authors: Alkorta Ibon , Silva Arnaldo F. , Popelier Paul L. A.
Published: June 2020

Energy profiles of seven halogen-bonded complexes were analysed with the topological energy partitioning called Interacting Quantum Atoms (IQA) at MP4(SDQ)/6–31 + G(2d,2p) level of theory. Explicit interatomic electron correlation energies are included in the analysis. Four complexes combine X2 (X = Cl or F) with HCN or NH3, while the remaining three combine ClF with HCN, NH3 or N2. Each complex was systematically deformed by translating the constituent molecules along its central axis linking X and N, and reoptimising its remaining geometry. The Relative Energy Gradient (REG) method (Theor. Chem. Acc. 2017, 136, 86) then computes which IQA energies most correlate with the total energy during the process of complex formation and further compression beyond the respective equilibrium geometries. It turns out that the covalent energy (i.e., exchange) of the halogen bond, X…N, itself drives the complex formation. When the complexes are compressed from their equilibrium to shorter X…N distance then the intra-atomic energy of N is in charge. When the REG analysis is restricted to electron correlation then the interatomic correlation energy between X and N again drives the complex formation, and the complex compression is best described by the destabilisation of the through-space correlation energy between N and the “outer” halogen.
Understanding the Phenomenon of Copper Ions Release from Copper-Modified TFC Membranes: A Mathematical and Experimental Methodology Using Shrinking Core Model
Authors: Quezada Rodrigo , Quintero Yurieth , Salgado José Cristian , Estay Humberto , García Andreina
Published: June 2020

Type of metal and metal-oxide NPs added to modify Thin-Film Composites Reverse Osmosis Membranes (TFC-RO) can alter their anti-biofouling properties by changing the dissolution process. The development of a mathematical model can facilitate the selection of these NPs. This work consists of a mathematical and experimental methodology to understand copper-based NPs dissolution of three copper species incorporated into TFC-RO membranes: Cu-NPs, CuO-NPs and Cu-Oligomer complexes formed in situ during the polymerization process. Biocidal capacity of copper species into the membrane was evaluated using colony forming unit method (CFU) over E. coli. In addition, copper ion release kinetics for both NPs and modified membranes were determined. A model based on the shrinking core model (SCM) was validated and applied to determine the limiting rate step in the dissolution process and simulate the ion release kinetics. Fitted curves reached a good adjustment with the experimental data, demonstrating the SCM can be applied to predict ion release process for copper-based NPs in suspension and the modified membranes. All membranes reached similar inhibition rate >50%, however, differences in the dissolution level of copper-based NPs in membrane were noted, suggesting a dual-type effect that defined the copper toxicity into the membrane, associated to the dissolution capacity and ROS production.
Use of Chalcogenide-Semiconductor-Sensitized Titania to Directly Charge a Vanadium Redox Battery
Authors: Santos Andrade Tatiana , Keramidas Anastasios , Lianos Panagiotis
Published: June 2020

Unmediated charging of a battery using solar radiation is a very attractive project of solar energy conversion and storage. In the present work, solar energy was converted into electricity using a photocatalytic fuel cell operating with a chalcogenide-semiconductor-sensitized nanoparticulate titania photoanode and an air-cathode functioning by oxygen reduction. This cell produced sufficient energy to directly charge a vanadium redox battery functioning with a VOSO4 electrolyte and carbon paper electrodes. The whole system is characterized by ease of construction and simplicity of conception; therefore, it satisfies conditions for practical applications.
High-Risk Human Papillomaviruses and Epstein–Barr Virus in Colorectal Cancer and Their Association with Clinicopathological Status
Authors: Gupta Ishita , Al Farsi Halema , Jabeen Ayesha , Skenderi Faruk , Al-Thawadi Hamda , AlAhmad Yaman M. , Abdelhafez Ibrahim , Al Moustafa Ala-Eddin , Vranic Semir
Published: June 2020

Colorectal cancer (CRC) is a common malignancy with a high mortality rate worldwide. It is a complex, multifactorial disease that is strongly impacted by both hereditary and environmental factors. The role of microbes (e.g., viruses) in the pathogenesis of CRC is poorly understood. In the current study, we explored the status of high-risk human papillomaviruses (HPV) and Epstein–Barr virus (EBV) in a well-defined CRC cohort using immunohistochemistry and polymerase chain reaction assays. Our data showed that high-risk HPVs were common (~80%) and EBV had a low presence (14–25%) in the CRC samples. The most common high-risk HPVs are HPV16, 31, 18, 51, 52 and 45 genotypes. The co-presence of high-risk HPV and EBV was observed in ~16% of the sample population without any significant association with the clinicopathological variables. We conclude that high-risk HPVs are very prevalent in CRC samples while EBV positivity is relatively low. The co-expression of the two viruses was observed in a minority of cases and without any correlation with the studied parameters. Further studies are necessary to confirm the clinical relevance and potential therapeutic (preventive) effects of the observations reported herein.
The Molecular Epidemiology of Echinococcus Infections
Authors: Thompson R. C. Andrew
Published: June 2020

Molecular epidemiology (ME) is the application of molecular tools to determine the causation of disease. With infectious diseases, such as echinococcosis, this applies to identifying and characterising the aetiological agents and elucidating host range. Such an approach has been very successful with the causative agents of echinococcosis, species of Echinococcus, initially by providing a workable and practical taxonomy and subsequently determining transmission patterns in endemic areas. This review summarises the taxonomy and nomenclature of species of Echinococcus and provides an update on ME investigations of the ecology of Echinococcus transmission, particularly in areas where more than one species of Echinococcus is maintained in cycles of transmission that may interact.
Attitudes of Michigan Female College Students about Pharmacists Prescribing Birth Control in a Community Pharmacy
Authors: O’Connell Mary Beth , Samman Leah , Bailey Teresa , King Larissa , Wellman Gregory S.
Published: June 2020

In the United States, the overall unintended pregnancy rate is about 45%. Women between 20–24 years old account for 59% of the unintended pregnancies. Continuous birth control use is related to decreasing unintended pregnancies. Therefore, we assessed female college students’ opinions about pharmacists prescribing birth control in a community pharmacy using an intersectionality framework. A survey with 49 items about provider attributes, pharmacy services use and evaluation, advantages and barriers of pharmacists prescribing birth control, sexual and reproductive history, and demographics was distributed by survey link and QR code. Recruitment was done by investigators and students (snowballing technique) via emails, social media posts, and direct student contact. Respondents (n = 859) were 23.0 ± 4.9 years old, 83% white, 64% healthcare students, 32% student pharmacists, 69% sexually active, 68% with at least one episode of unprotected intercourse within a year, and 29% never using condoms. Forty-six percent of students were extremely likely and 26% moderately likely to get birth control from a pharmacist because it would be easier to adhere to birth control, could prevent unintended pregnancies, would be more convenient, and require less time. Concerns included the lack of Pap screenings and prescriptions written for the wrong birth control. Within most student characteristics or attitudes assessed, at least 70% of the students would use this service. Based on student opinions, female college students would use pharmacists prescribing birth control services.
Genomic Prediction and Genetic Correlation of Agronomic, Blackleg Disease, and Seed Quality Traits in Canola (Brassica napus L.)
Authors: Fikere Mulusew , Barbulescu Denise M. , Malmberg M. Michelle , Maharjan Pankaj , Salisbury Phillip A. , Kant Surya , Panozzo Joe , Norton Sally , Spangenberg German C. , Cogan Noel O. I. , Daetwyler Hans D.
Published: June 2020

Genomic selection accelerates genetic progress in crop breeding through the prediction of future phenotypes of selection candidates based on only their genomic information. Here we report genetic correlations and genomic prediction accuracies in 22 agronomic, disease, and seed quality traits measured across multiple years (2015–2017) in replicated trials under rain-fed and irrigated conditions in Victoria, Australia. Two hundred and two spring canola lines were genotyped for 62,082 Single Nucleotide Polymorphisms (SNPs) using transcriptomic genotype-by-sequencing (GBSt). Traits were evaluated in single trait and bivariate genomic best linear unbiased prediction (GBLUP) models and cross-validation. GBLUP were also expanded to include genotype-by-environment G × E interactions. Genomic heritability varied from 0.31to 0.66. Genetic correlations were highly positive within traits across locations and years. Oil content was positively correlated with most agronomic traits. Strong, not previously documented, negative correlations were observed between average internal infection (a measure of blackleg disease) and arachidic and stearic acids. The genetic correlations between fatty acid traits followed the expected patterns based on oil biosynthesis pathways. Genomic prediction accuracy ranged from 0.29 for emergence count to 0.69 for seed yield. The incorporation of G × E translates into improved prediction accuracy by up to 6%. The genomic prediction accuracies achieved indicate that genomic selection is ready for application in canola breeding.
Maize Tolerance against Drought and Chilling Stresses Varied with Root Morphology and Antioxidative Defense System
Authors: Hussain Hafiz Athar , Men Shengnan , Hussain Saddam , Zhang Qingwen , Ashraf Umair , Anjum Shakeel Ahmad , Ali Iftikhar , Wang Longchang
Published: June 2020

Maize belongs to a tropical environment and is extremely sensitive to drought and chilling stress, particularly at early developmental stages. The present study investigated the individual and combined effects of drought (15% PEG-Solution) and chilling stress (15/12 °C) on morpho-physiological growth, osmolyte accumulation, production of reactive oxygen species (ROS), and activities/levels of enzymatic and non-enzymatic antioxidants in two maize hybrids (i.e., “XD889” and “XD319”) and two inbred cultivars (i.e., “Yu13” and “Yu37”). Results revealed that individual and combined exposure of drought and chilling stresses hampered the morpho-physiological growth and oxidative status of maize cultivars, nevertheless, the interactive damage caused by drought + chilling was found to be more severe for all the studied traits. Between two individual stress factors, chilling-induced reductions in seedling length and biomass of maize cultivars were more compared with drought stress alone. Greater decrease in root length and biomass under chilling stress ultimately decreased the volume and surface area of the root system, and restricted the shoot growth. All the stress treatments, particularly chilling and drought + chilling, triggered the oxidative stress by higher accumulation of superoxide anion, hydrogen peroxide, hydroxyl ion, and malondialdehyde contents compared with the control. Variations in response of maize cultivars were also apparent against different stress treatments, and XD889 performed comparatively better than the rest of the cultivars. The better growth and greater stress tolerance of this cultivar was attributed to the vigorous root system architecture, as indicated by higher root biomass, root surface area, and root volume under drought and chilling stresses. Moreover, efficient antioxidant defense system in terms of higher total antioxidant capability, superoxide dismutase, peroxidase, catalase, and glutathione reductase activities also contributed in greater stress tolerance of XD889 over other cultivars.
Growth, Physiology and Nutrient Use Efficiency in Eugenia dysenterica DC under Varying Rates of Nitrogen and Phosphorus
Authors: Nogueira dos Reis Daniele , Guimarães Silva Fabiano , da Costa Santana Reginaldo , Caetano de Oliveira Thales , Brito Freiberger Mariângela , Barbosa da Silva Fábia , Monteiro Júnior Elídio , Müller Caroline
Published: June 2020

The production of high-quality seedlings and their use in commercial planting reduce pressure on natural areas. Eugenia dysenterica DC is a native fruit tree from the Brazilian Cerrado, whose nutritional requirements are still unclear. This study aimed to evaluate the effects of nitrogen (N) and phosphorus (P) supplementation on the physiology, growth and nutrient uptake, and use efficiencies of E. dysenterica seedlings grown in glasshouse conditions. The following rates were used in separate experiments: 0, 50, 100, 200, and 400 mg dm−3 N and 0, 100, 200, 400, and 600 mg dm−3 P. The experiment was conducted in a randomized block with four replications. The lowest N rate (50 mg dm−3) increased the stomatal conductance (gS) and, consequently, resulted in the highest transpiration (E), electron transport (ETR), and photosynthetic (A) rates. Also, rates of 50 mg dm−3 and 100 mg dm−3 N increased the Root Uptake Efficiency (RUE) and plant Nutrient Use Efficiency (NUE) for macronutrients and the RUE for micronutrients, stimulating plant growth. Phosphorous fertilization resulted in the maximum values for photosynthesis, electron transport rate, total dry mass, and NUE at the 200 mg dm−3 rate. The results of this study suggest that fertilization with 50 mg dm−3 N and 200 mg dm−3 P is suitable for the development of E. dysenterica seedlings.
Micropropagation and Production of Health Promoting Lignans in Linum usitatissimum
Authors: Khan Irfan , Khan Mubarak Ali , Shehzad Muhammad Amir , Ali Amir , Mohammad Sher , Ali Huma , Alyemeni Mohammed Nasser , Ahmad Parvaiz
Published: June 2020

Linum usitatissimum commonly known as flax or linseed is an important medicinal plant, produces medicinally potent lignans, used in the treatment of several human diseases. Lignans limited production in the natural plants does not meet the increasing market demand. This study was conducted to establish an easy and rapid method for the in vitro micropropagation and production of potent lignans and antioxidant secondary metabolites in linseed. The results indicated that hypocotyl explants under the effects of thidiazuron (TDZ: 0.5 mg/L) + kinetin (Kn: 0.5 mg/L) in the basal growth media, resulted in the optimal shoot organogenesis parameters (shoot induction frequency: 86.87%, number of shoots: 6.3 ± 0.36 and shoots length: 6.5 ± 0.54 cm), in 4 weeks. Further, TDZ supplementation in the culture media efficiently activated the antioxidant system in the in vitro raised shoots, wherein maximum production of total phenolic content, TPC (34.33 ± 0.20 mg of GAE/g DW); total flavonoid content, TFC (8.99 ± 0.02 mg of QE/g DW); DPPH free radical scavenging activity (92.7 ± 1.32%); phenylalanine ammonia-lyase activity, PAL (8.99 ± 0.02 U/g FW); and superoxide dismutase expression, SOD (3.62 ± 0.01 nM/min/mg FW) were observed in the shoot cultures raised in presence of TDZ: 0.5 mg/L + Kn: 0.5 mg/L. Nonetheless, considerable levels of pharmacologically active lignans such as secoisolariciresinol (SECO: 23.13–37.10 mg/g DW), secoisolariciresinol diglucoside (SDG: 3.32–3.86 mg/g DW) and anhydrosecoisolariciresinol diglucoside (ANHSECO: 5.15–7.94 mg/g DW) were accumulated in the regenerated shoots. This protocol can be scaled up for the commercial production of linseed to meet the market demands for lignans.
Insights into the Phytochemical Composition and Bioactivities of Seeds from Wild Peony Species
Authors: Yan Zhenguo , Xie Lihang , Tian Yao , Li Mengchen , Ni Jing , Zhang Yanlong , Niu Lixin
Published: June 2020

Peony is an important medicinal and ornamental plant widely cultivated in the world. Its seeds as a functional food source have attracted much more attention in recent years, and they are rich in monoterpene glycosides and phenolic compounds. To assess the application value of wild peony seeds, the main chemical composition and content, such as total phenolic content (TPC), total flavonoid content (TFC), total flavanol content (TAC), and α and γ tocopherol content, of the seeds from 12 species and 2 subspecies were systematically explored in the present study. Four different antioxidant assays (DPPH, ABTS, FRAP, and HRSA), antibacterial, and antifungal assays were also performed using various in vitro biochemical methods. The results showed that the seeds of P. delavayi, P. obovata. subsp. obovata, and P. rockii. subsp. rockii had a high content of TPC, TFC, and TAC, respectively. Twenty-five individual chemical compounds were qualitatively and quantitatively measured by HPLC-MS, with paeoniflorin being the most abundant compound in all samples. P. mairei was grouped individually into a group via hierarchical cluster analysis according to its relatively highest monoterpene glycosides and TPC content. This work has provided a basis for the development and utilization of seeds for the selection of wild peony species of dietary interest.
Breakup Processes and Droplet Characteristics of Liquid Jets Injected into Low-Speed Air Crossflow
Authors: Kong Lingzhen , Lan Tian , Chen Jiaqing , Wang Kuisheng , Sun Huan
Published: June 2020

The breakup processes and droplet characteristics of a liquid jet injected into a low-speed air crossflow in the finite space were experimentally investigated. The liquid jet breakup processes were recorded by high-speed photography, and phase-Doppler anemometry (PDA) was employed to measure the droplet sizes and droplet velocities. Through the instantaneous image observation, the liquid jet breakup mode could be divided into bump breakup, arcade breakup and bag breakup modes, and the experimental regime map of primary breakup processes was summarized. The transition boundaries between different breakup modes were found. The gas Weber number (Weg) could be considered as the most sensitive dimensionless parameter for the breakup mode. There was a Weg transition point, and droplet size distribution was able to change from the oblique-I-type to the C-type with an increase in Weg. The liquid jet Weber number (Wej) had little effect on droplet size distribution, and droplet size was in the range of 50–150 μm. If Weg > 7.55, the atomization efficiency would be very considerable. Droplet velocity increased significantly with an increase in Weg of the air crossflow, but the change in droplet velocity was not obvious with the increase in Wej. Weg had a decisive effect on the droplet velocity distribution in the outlet section of test tube.