bluuebunny/crossref_metadata_2025 huggingface dataset:
A New Approach to Exploring the Relationship between Weather Phenomenon and Truck Traffic Volume in the Cold Region Highway Network
Authors: Sahu Prasanta , Bayireddy Leela , Roh Hyuk-Jae
Published: October 2020

Weather events are arbitrary, and this makes it difficult to incorporate weather parameters into transportation models. Recent research on traffic weather interaction analysis conducted at the University of Regina, Canada reported traffic variations with cold temperatures and snowfall. The research team at the University of Regina proposed a linear association between snowfall and temperature to analyze the traffic variation on provincial highways during winter months. The variations were studies with the inclusion of the expected daily volume factor as an independent variable in the model structure. However, the study did not analyze the nature of the association between daily truck traffic volume and snowfall. Based on these drawbacks of the past studies, in this research, the objective is to focus on the effects of snow and temperature on traffic volume changes with a methodological help of Maximal Information Coefficient (MIC), which stems from the maximal information-based nonparametric exploration (MINE) statistics. The results obtained from the analysis indicate that the relationship between snow and truck traffic is non-linear. However, the study could not establish any functional relationship between snowfall and daily truck volume. It is desired to further conduct an hourly analysis to explore a new relationship between snowfall and truck volume.
Ethylchloroformate Derivatization for GC–MS Analysis of Resveratrol Isomers in Red Wine
Authors: Di Fabio Elisa , Incocciati Alessio , Palombarini Federica , Boffi Alberto , Bonamore Alessandra , Macone Alberto
Published: October 2020

Resveratrol (3,5,4′-trihydroxystilbene) is a natural compound that can be found in high concentrations in red wine and in many typical foods found in human diet. Over the past decades, resveratrol has been widely investigated for its potential beneficial effects on human health. At the same time, numerous analytical methods have been developed for the quantitative determination of resveratrol isomers in oenological and food matrices. In the present work, we developed a very fast and sensitive GC–MS method for the determination of resveratrol in red wine based on ethylchloroformate derivatization. Since this reaction occurs directly in the water phase during the extraction process itself, it has the advantage of significantly reducing the overall processing time for the sample. This method presents low limits of quantification (LOQ) (25 ng/mL and 50 ng/mL for cis- and trans-resveratrol, respectively) and excellent accuracy and precision. Ethylchloroformate derivatization was successfully applied to the analysis of resveratrol isomers in a selection of 15 commercial Italian red wines, providing concentration values comparable to those reported in other studies. As this method can be easily extended to other classes of molecules present in red wine, it allows further development of new GC–MS methods for the molecular profiling of oenological matrices.
Response Surface Optimization of Oil Removal Using Synthesized Polypyrrole-Silica Polymer Composite
Authors: Izevbekhai Oisaemi Uduagele , Gitari Wilson Mugera , Tavengwa Nikita Tawanda , Ayinde Wasiu Babatunde , Mudzielwana Rabelani
Published: October 2020

The severity of oil pollution, brought about by improper management, increases daily with an increase in the exploration and usage of oil, especially with an increase in industrialization. Conventional oil treatment methods are either expensive or time consuming, hence the need for new technologies. The aim of this research is to synthesize polypyrrole-modified silica for the treatment of oily wastewater. Pyrrole was copolymerized with silica in the presence of ferric chloride hexahydrate by adding 23 mL of 117.4 g/dm3 ferric chloride hexahydrate drop wise to a silica-pyrrole mixture (1:2.3). The mixture was stirred for 24 h, filtered and dried at 60 °C for 24 h. The composite was then characterized using FTIR and SEM/EDX. A central composite model was developed in design expert software to describe the efficiency of oil removal using the polypyrrole-modified silica under the influence of initial oil concentration, adsorbent dosage and contact time. The synthesized adsorbent had FTIR bands at 3000–3500 cm−1 (due to the N-H), 1034 cm−1 (attributed to the Si-O of silica), 1607 cm−1 and 1615 cm−1 (due to the stretching vibration of C=C of pyrrole ring). The adsorption capacity values predicted by the central composite model were in good agreement with the actual experimental values, indicating that the model can be used to optimize the removal of oil from oily wastewater in the presence of polypyrrole-modified silica. The adsorbent showed excellent oil uptake when compared with similar materials. The optimum conditions for oil removal were 7091 mg/L oil concentration, 0.004 g adsorbent dosage and contact time of 16 h. Under these conditions, the percentage of oil adsorption was 99.3% and adsorption capacity was 8451 mg/g. As a result of the low optimum dosage and the lack of agitation, the material was found to be applicable in the remediation of field wastewater.
Cornus mas L. Stones: A Valuable by-Product as an Ellagitannin Source with High Antioxidant Potential
Authors: Przybylska Dominika , Kucharska Alicja Z. , Cybulska Iwona , Sozański Tomasz , Piórecki Narcyz , Fecka Izabela
Published: October 2020

The stone of Cornus mas L. remains the least known morphological part of this plant, whereas the fruit is appreciated for both consumption purposes and biological activity. The stone is considered to be a byproduct of fruit processing and very little is known about its phytochemical composition and biological properties. In this study, the complete qualitative determination of hydrolyzable tannins, their quantitative analysis, total polyphenolic content, and antioxidant properties of the stone of C. mas are presented for the first time. The 37 identified compounds included the following: various gallotannins (11), monomeric ellagitannins (7), dimeric ellagitannins (10), and trimeric ellagitannins (7). The presence of free gallic acid and ellagic acid was also reported. Our results demonstrate that C. mas stone is a source of various bioactive hydrolyzable tannins and shows high antioxidant activity which could allow potential utilization of this raw material for recovery of valuable pharmaceutical or nutraceutical substances. The principal novelty of our findings is that hydrolyzable tannins, unlike other polyphenols, have been earlier omitted in the evaluation of the biological activities of C. mas. Additionally, the potential recovery of these bioactive chemicals from the byproduct is in line with the ideas of green chemistry and sustainable production.
Natural and Synthetic Derivatives of Hydroxycinnamic Acid Modulating the Pathological Transformation of Amyloidogenic Proteins
Authors: Muronetz Vladimir I. , Barinova Kseniya , Kudryavtseva Sofia , Medvedeva Maria , Melnikova Aleksandra , Sevostyanova Irina , Semenyuk Pavel , Stroylova Yulia , Sova Matej
Published: October 2020

This review presents the main properties of hydroxycinnamic acid (HCA) derivatives and their potential application as agents for the prevention and treatment of neurodegenerative diseases. It is partially focused on the successful use of these compounds as inhibitors of amyloidogenic transformation of proteins. Firstly, the prerequisites for the emergence of interest in HCA derivatives, including natural compounds, are described. A separate section is devoted to synthesis and properties of HCA derivatives. Then, the results of molecular modeling of HCA derivatives with prion protein as well as with α-synuclein fibrils are summarized, followed by detailed analysis of the experiments on the effect of natural and synthetic HCA derivatives, as well as structurally similar phenylacetic and benzoic acid derivatives, on the pathological transformation of prion protein and α-synuclein. The ability of HCA derivatives to prevent amyloid transformation of some amyloidogenic proteins, and their presence not only in food products but also as natural metabolites in human blood and tissues, makes them promising for the prevention and treatment of neurodegenerative diseases of amyloid nature.
Surface Plasmon Resonances in Sierpinski-Like Photonic Crystal Fibers: Polarization Filters and Sensing Applications
Authors: Carvalho William O. F. , Mejía-Salazar J. R.
Published: October 2020

We investigate the plasmonic behavior of a fractal photonic crystal fiber, with Sierpinski-like circular cross-section, and its potential applications for refractive index sensing and multiband polarization filters. Numerical results were obtained using the finite element method through the commercial software COMSOL Multiphysics®. A set of 34 surface plasmon resonances was identified in the wavelength range from λ=630 nm to λ=1700 nm. Subsets of close resonances were noted as a consequence of similar symmetries of the surface plasmon resonance (SPR) modes. Polarization filtering capabilities are numerically shown in the telecommunication windows from the O-band to the L-band. In the case of refractive index sensing, we used the wavelength interrogation method in the wavelength range from λ=670 nm to λ=790 nm, where the system exhibited a sensitivity of S(λ)=1951.43 nm/RIU (refractive index unit). Due to the broadband capabilities of our concept, we expect that it will be useful to develop future ultra-wide band optical communication infrastructures, which are urgent to meet the ever-increasing demand for bandwidth-hungry devices.
Antiulcer Activity of Steamed Ginger Extract against Ethanol/HCl-Induced Gastric Mucosal Injury in Rats
Authors: Shin Jun-Kyu , Park Jae Hyeon , Kim Kyeong Seok , Kang Tong Ho , Kim Hyung Sik
Published: October 2020

Ginger (Zingiber officianale), the most widely consumed species, is traditionally used as a folk medicine to treat some inflammatory diseases in China and Korea. However, the functional activity of steamed ginger extract on gastric ulcers has not been previously explored. The present study aimed to investigate antiulcer activity of steamed ginger extract (GGE03) against ethanol (EtOH)/HCl-induced gastric ulcers in a rat model. GGE03 (100 mg/kg) was orally administered for 14 days to rats before oral intubation of an EtOH/HCl mixture to induce gastric damage. Pretreatment with GGE03 markedly protected the formation of microscopic pathological damage in the gastric mucosa. Further, administration of GGE03 significantly increased mucosal total nitrate/nitrite production in gastric tissues, and elevated total GSH content, catalase activity and superoxide dismutase (SOD) expression as well as decreasing lipid peroxidation and myeloperoxidase (MPO) activity. Underlying protective mechanisms were examined by assessing inflammation-related genes, including nuclear factor-κB (NF-κB), prostaglandin E2 (PGE2), and pro-inflammatory cytokines levels. GGE03 administration significantly reduced the expression of NF-κB and pro-inflammatory cytokines. Our findings suggest that GGE03 possesses antiulcer activity by attenuating oxidative stress and inflammatory responses.
Rapid Identification of Different Grades of Huangshan Maofeng Tea Using Ultraviolet Spectrum and Color Difference
Authors: Huang Danyi , Qiu Qinli , Wang Yinmao , Wang Yu , Lu Yating , Fan Dongmei , Wang Xiaochang
Published: October 2020

Tea is an important beverage in humans’ daily lives. For a long time, tea grade identification relied on sensory evaluation, which requires professional knowledge, so is difficult and troublesome for laypersons. Tea chemical component detection usually involves a series of procedures and multiple steps to obtain the final results. As such, a simple, rapid, and reliable method to judge the quality of tea is needed. Here, we propose a quick method that combines ultraviolet (UV) spectra and color difference to classify tea. The operations are simple and do not involve complex pretreatment. Each method requires only a few seconds for sample detection. In this study, famous Chinese green tea, Huangshan Maofeng, was selected. The traditional detection results of tea chemical components could not be used to directly determine tea grade. Then, digital instrument methods, UV spectrometry and colorimetry, were applied. The principal component analysis (PCA) plots of the single and combined signals of these two instruments showed that samples could be arranged according to grade. The combined signal PCA plot performed better with the sample grade descending in clockwise order. For grade prediction, the random forest (RF) model produced a better effect than the support vector machine (SVM) and the SVM + RF model. In the RF model, the training and testing accuracies of the combined signal were all 1. The grades of all samples were correctly predicted. From the above, the UV spectrum combined with color difference can be used to quickly and accurately classify the grade of Huangshan Maofeng tea. This method considerably increases the convenience of tea grade identification.
Hydrogen Bond and Other Lewis Acid–Lewis Base Interactions as Preliminary Stages of Chemical Reactions
Authors: Grabowski Sławomir J.
Published: October 2020

Various Lewis acid–Lewis base interactions are discussed as initiating chemical reactions and processes. For example, the hydrogen bond is often a preliminary stage of the proton transfer process or the tetrel and pnicogen bonds lead sometimes to the SN2 reactions. There are numerous characteristics of interactions being first stages of reactions; one can observe a meaningful electron charge transfer from the Lewis base unit to the Lewis acid; such interactions possess at least partly covalent character, one can mention other features. The results of different methods and approaches that are applied in numerous studies to describe the character of interactions are presented here. These are, for example, the results of the Quantum Theory of Atoms in Molecules, of the decomposition of the energy of interaction or of the structure-correlation method.
Synergistic Effect between Zr-MOF and Phosphomolybdic Acid with the Promotion of TiF4 Template
Authors: Ding Zhu , Zhang Xiao Min , Chang Xue , Wang Shuo , Wang Dan-Hong , Zhang Ming Hui , Zhang Tian Hao
Published: October 2020

Metal-Organic Framework (MOF) materials are often modified or functionalized, and then the crystal size and morphology of MOF materials are changed. In the process of preparing UiO-66 confined phosphomolybdic acid (PMA) composites (PU), the TiF4-modified PU (PMA + UiO-66) composite catalyst (TiF4-PU) was successfully synthesized by adding titanium tetrafluoride, and the catalytic desulfurization activity was excellent. Similarly, the reaction mechanism was investigated by means of infrared spectroscopy, Raman spectroscopy, XPS, and UV/Vis spectroscopy. The results show that the addition of TiF4 not only changes the appearance and color of the catalyst, but also changes the valence distribution of the elements in the catalyst. The number of oxygen vacancies in the MOF increases due to the addition of TiF4, and more electrons are transferred from the Zr-MOF to PMA to form more Mo5+, which improved the performance of oxidative desulfurization in comparison. Thus, a stronger strong metal-support interaction (SMSI) effect is observed for TiF4-modified PU catalysts. In addition, the quenching experiment of free radicals shows that ·OH radical is the main active substance in the oxidative desulfurization reaction over TiF4-PU catalyst.
Importance of Fluorine in Benzazole Compounds
Authors: Al-Harthy Thuraya , Zoghaib Wajdi , Abdel-Jalil Raid
Published: October 2020

Fluorine-containing heterocycles continue to receive considerable attention due to their unique properties. In medicinal chemistry, the incorporation of fluorine in small molecules imparts a significant enhancement their biological activities compared to non-fluorinated molecules. In this short review, we will highlight the importance of incorporating fluorine as a basic appendage in benzothiazole and benzimidazole skeletons. The chemistry and pharmacological activities of heterocycles containing fluorine during the past years are compiled and discussed.
Synthesis, Crystal Structure, and Computational Methods of Vanadium and Copper Compounds as Potential Drugs for Cancer Treatment
Authors: Corona-Motolinia Nidia D. , Martínez-Valencia Beatriz , Noriega Lisset , Sánchez-Gaytán Brenda L. , Méndez-Rojas Miguel Ángel , Melendez Francisco J. , Castro María Eugenia , González-Vergara Enrique
Published: October 2020

Transition metal-based compounds have shown promising uses as therapeutic agents. Among their unique characteristics, these compounds are suitable for interaction with specific biological targets, making them important potential drugs to treat various diseases. Copper compounds, of which Casiopeinas® are an excellent example, have shown promising results as alternatives to current cancer therapies, in part because of their intercalative properties with DNA. Vanadium compounds have been extensively studied for their pharmacological properties and application, mostly in diabetes, although recently, there is a growing interest in testing their activity as anti-cancer agents. In the present work, two compounds, [Cu(Metf)(bipy)Cl]Cl·2H2O and [Cu(Impy)(Gly)(H2O)]VO3, were obtained and characterized by visible and FTIR spectroscopies, single-crystal X-ray diffraction, and theoretical methods. The structural and electronic properties of the compounds were calculated through the density functional theory (DFT) using the Austin–Frisch–Petersson functional with dispersion APFD, and the 6-311 + G(2d,p) basis set. Non-covalent interactions were analyzed using Hirshfeld surface analysis (HSA) and atom in molecules analysis (AIM). Additionally, docking analysis to test DNA/RNA interactions with the Casiopeina-like complexes were carried out. The compounds provide metals that can interact with critical biological targets. In addition, they show interesting non-covalent interactions that are responsible for their supramolecular arrangements.
The Effects of Tannins in Monogastric Animals with Special Reference to Alternative Feed Ingredients
Authors: Hassan Zahra Mohammed , Manyelo Tlou Grace , Selaledi Letlhogonolo , Mabelebele Monnye
Published: October 2020

Over recent years, the monogastric animal industry has witnessed an increase in feed prices due to several factors, and this trend is likely to continue. The hike in feed prices is mostly due to extreme competition over commonly used conventional ingredients. For this trend to be subdued, alternative ingredients of both plant and animal origin need to be sourced. These types of ingredients are investigated with the aim of substituting all or some of the conventional compounds. However, alternative ingredients often have a double-edged sword effect, in that they can supply animals with the necessary nutrients although they contain antinutritional factors such as tannins. Tannins are complex secondary metabolites commonly present in the plant kingdom, known to bind with protein and make it unavailable; however, recently they have been proven to have the potential to replace conventional ingredients, in addition to their health benefits, particularly the control of zoonotic pathogens such as Salmonella. Thus, the purpose of this review is to (1) classify the types of tannins present in alternative feed ingredients, and (2) outline the effects and benefits of tannins in monogastric animals. Several processing methods have been reported to reduce tannins in diets for monogastric animals; furthermore, these need to be cost-effective. It can thus be concluded that the level of inclusion of tannins in diets will depend on the type of ingredient and the animal species.
Kaempferol Facilitated Extinction Learning in Contextual Fear Conditioned Rats via Inhibition of Fatty-Acid Amide Hydrolase
Authors: Ahmad Hammad , Rauf Khalid , Zada Wahid , McCarthy Margaret , Abbas Ghulam , Anwar Fareeha , Shah Abdul Jabbar
Published: October 2020

Background: Fear, stress, and anxiety-like behaviors originate from traumatic events in life. Stress response is managed by endocannabinoids in the body by limiting the uncontrolled retrieval of aversive memories. Pharmacotherapy-modulating endocannabinoids, especially anandamide, presents a promising tool for treating anxiety disorders. Here, we investigated the effect of kaempferol, a flavonoid, in the extinction of fear related memories and associated anxiety-like behavior. Methods: The ability of kaempferol to inhibit fatty-acid amide hydrolase (FAAH, the enzyme that catabolizes anandamide) was assessed in vitro using an enzyme-linked immunosorbent assay (ELISA) kit. For animal studies (in vivo), the extinction learning was evaluated using contextual fear conditioning (CFC, a behavioral paradigm based on ability to learn and remember aversive stimuli). Furthermore, an elevated plus-maze (EPM) model was used for measuring anxiety-like behavior, while serum corticosterone served as a biochemical indicator of anxiety. Lastly, the interaction of kaempferol with FAAH enzyme was also assessed in silico (computational study). Results: Our data showed that kaempferol inhibited the FAAH enzyme with an IC50 value of 1 µM. In CFC, it reduced freezing behavior in rats. EPM data demonstrated anxiolytic activity as exhibited by enhanced number of entries and time spent in the open arm. No change in blood corticosterone levels was noted. Our computational study showed that Kaempferol interacted with the catalytic amino acids (SER241, PHE192, PHE381, and THR377) of FAAH enzyme Conclusion: Our study demonstrate that kaempferol facilitated the extinction of aversive memories along with a reduction of anxiety. The effect is mediated through the augmentation of endocannabinoids via the inhibition of FAAH enzyme.
Kathon Induces Fibrotic Inflammation in Lungs: The First Animal Study Revealing a Causal Relationship between Humidifier Disinfectant Exposure and Eosinophil and Th2-Mediated Fibrosis Induction
Authors: Song Mi-Kyung , Kim Dong Im , Lee Kyuhong
Published: October 2020

Currently available toxicity data on humidifier disinfectants are primarily limited to polyhexamethylene guanidine phosphate-induced lung fibrosis. We, therefore, investigated whether the sterilizer component Kathon, which is a mixture of chloromethylisothiazolinone and methylisothiazolinone, induces fibrotic lung injury following direct lung exposure in an animal model. Mice were intratracheally instilled with either the vehicle or Kathon. Differential cell counts, cytokine analysis, and histological analysis of lung tissue were then performed to characterize the injury features, and we investigated whether Kathon altered fibrosis-related gene expression in lung tissues via RNA-Seq and bioinformatics. Cell counting showed that Kathon exposure increased the proportion of macrophages, eosinophils, and neutrophils. Moreover, T helper 2 (Th2) cytokine levels in the bronchoalveolar lavage were significantly increased in the Kathon groups. Histopathological analysis revealed increased perivascular/alveolar inflammation, eosinophilic cells, mucous cell hyperplasia, and pulmonary fibrosis following Kathon exposure. Additionally, Kathon exposure modulated the expression of genes related to fibrotic inflammation, including the phosphatidylinositol 3-kinase (PI3K)/protein kinase B (AKT) signaling pathway, extracellular signal regulated kinase (ERK)1 and ERK2 cascade, extracellular matrix (ECM)-receptor interaction pathway, transforming growth factor beta receptor signaling pathway, cellular response to tumor necrosis factor, and collagen fibril organization. Our results suggest that Kathon exposure is associated with fibrotic lung injury via a Th2-dependent pathway and is thus a possible risk factor for fibrosis.
Inter- vs. Intramolecular Hydrogen Bond Patterns and Proton Dynamics in Nitrophthalic Acid Associates
Authors: Jóźwiak Kinga , Jezierska Aneta , Panek Jarosław J. , Goremychkin Eugene A. , Tolstoy Peter M. , Shenderovich Ilya G. , Filarowski Aleksander
Published: October 2020

Noncovalent interactions are among the main tools of molecular engineering. Rational molecular design requires knowledge about a result of interplay between given structural moieties within a given phase state. We herein report a study of intra- and intermolecular interactions of 3-nitrophthalic and 4-nitrophthalic acids in the gas, liquid, and solid phases. A combination of the Infrared, Raman, Nuclear Magnetic Resonance, and Incoherent Inelastic Neutron Scattering spectroscopies and the Car–Parrinello Molecular Dynamics and Density Functional Theory calculations was used. This integrated approach made it possible to assess the balance of repulsive and attractive intramolecular interactions between adjacent carboxyl groups as well as to study the dependence of this balance on steric confinement and the effect of this balance on intermolecular interactions of the carboxyl groups.
Mesoporous Silica as a Drug Delivery System for Naproxen: Influence of Surface Functionalization
Authors: Žid Lukáš , Zeleňák Vladimír , Almáši Miroslav , Zeleňáková Adriana , Szücsová Jaroslava , Bednarčík Jozef , Šuleková Monika , Hudák Alexander , Váhovská Lucia
Published: October 2020

In this work we describe the relationship between surface modification of hexagonally ordered mesoporous silica SBA-15 and loading/release characteristics of nonsteroidal anti-inflammatory drug (NSAID) naproxen. Mesoporous silica (MPS) was modified with 3-aminopropyl, phenyl and cyclohexyl groups by grafting method. Naproxen was adsorbed into pores of the prepared MPS from ethanol solution using a solvent evaporation method. The release of the drug was performed in buffer medium at pH 2 and physiological solution at pH 7.4. Parent MPSs as well as naproxen loaded MPSs were characterized using physicochemical techniques such as nitrogen adsorption/desorption, thermogravimetric analysis (TG), Zeta potential analysis, Fourier transform infrared spectroscopy (FT-IR), and elemental analysis. The amount of naproxen released from the MPSs into the medium was determined by high-performance liquid chromatography (HPLC). It was shown that the adsorption and desorption characteristics of naproxen are dependent on the pH of the solution and the surface functionalization of the host.
Capturing Peptide–GPCR Interactions and Their Dynamics
Authors: Kaiser Anette , Coin Irene
Published: October 2020

Many biological functions of peptides are mediated through G protein-coupled receptors (GPCRs). Upon ligand binding, GPCRs undergo conformational changes that facilitate the binding and activation of multiple effectors. GPCRs regulate nearly all physiological processes and are a favorite pharmacological target. In particular, drugs are sought after that elicit the recruitment of selected effectors only (biased ligands). Understanding how ligands bind to GPCRs and which conformational changes they induce is a fundamental step toward the development of more efficient and specific drugs. Moreover, it is emerging that the dynamic of the ligand–receptor interaction contributes to the specificity of both ligand recognition and effector recruitment, an aspect that is missing in structural snapshots from crystallography. We describe here biochemical and biophysical techniques to address ligand–receptor interactions in their structural and dynamic aspects, which include mutagenesis, crosslinking, spectroscopic techniques, and mass-spectrometry profiling. With a main focus on peptide receptors, we present methods to unveil the ligand–receptor contact interface and methods that address conformational changes both in the ligand and the GPCR. The presented studies highlight a wide structural heterogeneity among peptide receptors, reveal distinct structural changes occurring during ligand binding and a surprisingly high dynamics of the ligand–GPCR complexes.
Diels-Alder Additions as Mechanistic Probes–Interception of Silyl-Isoindenes: Organometallic Derivatives of Polyphenylated Cycloheptatrienes and Related Seven-Membered Rings
Authors: McGlinchey Michael J.
Published: October 2020

The intermediacy of short-lived isoindenes, generated in the course of metallotropic or silatropic shifts over the indene skeleton, can be shown by Diels-Alder trapping with tetracyanoethylene, leading to the complete elucidation of the dynamic behaviour of a series of polyindenylsilanes. Cyclopentadienones, bearing ferrocenyl and multiple phenyl or naphthyl substituents undergo [4 + 2] cycloadditions with diaryl acetylenes or triphenylcyclopropene to form the corresponding polyarylbenzenes or cycloheptatrienes. The heptaphenyltropylium cation, [C7Ph7+], was shown to adopt a nonplanar shallow boat conformation. In contrast, the attempted Diels-Alder reaction of tetracyclone and phenethynylfluorene yielded electroluminescent tetracenes. Finally, benzyne addition to 9-(2-indenyl)anthracene, and subsequent incorporation of a range of organometallic fragments, led to development of an organometallic molecular brake.
Effect of Strain, Wood Substrate and Cold Treatment on the Yield and β-Glucan Content of Ganoderma lucidum Fruiting Bodies
Authors: Cortina-Escribano Marta , Pihlava Juha-Matti , Miina Jari , Veteli Pyry , Linnakoski Riikka , Vanhanen Henri
Published: October 2020

Wood residues from forestry industries can be potential raw materials for specialty and edible mushroom production. The aim of this study was to evaluate the suitability of wood residues for the cultivation of Ganoderma lucidum originating from boreal forests. The substrates tested included sawdust and wood chips of Betula spp., Populus tremula, Picea abies, Pinus sylvestris and Larix sp. The suitability of the substrates and the ability of the strains to develop fruiting bodies and produce β-glucan were evaluated. Fruiting body formation was supported by applying two different cold shock treatments to substrate bags. The highest yields were observed with MUS192 strain and Betula spp. and P. tremula wood-based substrates. β-Glucan content in the fruiting bodies was highest with the MUS75 and P. tremula wood-based substrate. Based on these findings, the combination of P. tremula wood residues and the MUS192 strain is proposed to enhance the yield and β-glucan content of the fruiting bodies. A cold treatment of 5 °C is suggested to induce primordia formation and to increase fruiting probability. This is the first time that strains of G. lucidum originating from boreal forests have been compared and successfully cultivated simulating commercial indoor cultivation.
Chemical Composition, Nutritional Value, and Biological Evaluation of Tunisian Okra Pods (Abelmoschus esculentus L. Moench)
Authors: Romdhane Mariem Haj , Chahdoura Hassiba , Barros Lillian , Dias Maria Inês , Corrêa Rúbia Carvalho Gomes , Morales Patricia , Ciudad-Mulero Maria , Flamini Guido , Majdoub Hatem , Ferreira Isabel C. F. R.
Published: October 2020

The aim of this work was to perform an unprecedented in-depth study on the bioactive phytochemicals of Abelmoschus esculentus L. Moench Tunisian landrace (Marsaouia). For this purpose, its nutritional, aroma volatile, and phenolic profiles were characterized, and sundry biological activities were assessed in vitro. The approximate composition revealed that total dietary fiber as the most abundant macronutrient, mainly insoluble dietary fiber, followed by total carbohydrates and proteins. In addition, okra pods were rich in K, Ca, Mg, organic acids, tocopherols, and chlorophylls. Gas Chromatography-Electron Impact Mass Spectrometry (GC-EIMS) analysis showed that oxygenated monoterpenes, sesquiterpene hydrocarbons, and phenylpropanoids were the predominant essential volatile components in A. esculentus pods. A total of eight flavonols were detected by High-Performance Liquid Chromatography coupled to a DAD detector and mass spectrometry by electrospray ionization (HPLC-DAD-MS/ESI); with quercetin-3-O-glucoside being the majority phenolic component, followed by quercetin-O-pentosyl-hexoside and quercetin-dihexoside. This pioneering study, evidences that Tunisian okra display promising antioxidant and cytotoxic actions, in addition to relevant inhibitory effects against α-amylase and α-glucosidase enzymes, and interesting analgesic activity.
Determination of Volatile Organic Compounds and Antibacterial Activity of the Amazonian Cyanobacterium Synechococcus sp. Strain GFB01
Authors: do Amaral Samuel Cavalcante , Santos Agenor Valadares , da Cruz Schneider Maria Paula , da Silva Joyce Kelly Rosário , Xavier Luciana Pereira
Published: October 2020

Cyanobacteria exhibit great biotechnological potential due to their capacity to produce compounds with various applicability. Volatile organic compounds (VOCs) possess low molecular weight and high vapor pressure. Many volatiles produced by microorganisms have biotechnological potential, including antimicrobial activity. This study aimed to investigate the VOCs synthesized by cyanobacterium Synechococcus sp. strain GFB01, and the influence of nitrate and phosphate on its antibacterial potential. The strain was isolated from the surface of the freshwater lagoon Lagoa dos Índios, Amapá state, in Northern Brazil. After cultivation, the VOCs were extracted by a simultaneous distillation-extraction process, using a Likens-Nickerson apparatus (2 h), and then identified by GC-MS. The extracts did not display inhibitory activity against the Gram-positive bacteria tested by the disk-diffusion agar method. However, the anti-Salmonella property in both extracts (methanol and aqueous) was detected. The main VOCs identified were heptadecane (81.32%) and octadecyl acetate (11.71%). To the best of our knowledge, this is the first study of VOCs emitted by a cyanobacterium from the Amazon that reports the occurrence of 6-pentadecanol and octadecyl acetate in cyanobacteria.
Special Issue “Flavonoids and Their Disease Prevention and Treatment Potential”: Recent Advances and Future Perspectives
Authors: Rupasinghe H.P. Vasantha
Published: October 2020

In recent years, the interest in flavonoids as dietary bioactives to prevent human diseases, as well as their candidacy as pharmaceutical leads, has exponentially expanded [...]
Chitosan Hydrochloride Decreases Fusarium graminearum Growth and Virulence and Boosts Growth, Development and Systemic Acquired Resistance in Two Durum Wheat Genotypes
Authors: Francesconi Sara , Steiner Barbara , Buerstmayr Hermann , Lemmens Marc , Sulyok Michael , Balestra Giorgio Mariano
Published: October 2020

Fusarium head blight (FHB) is a devastating disease for cereals. FHB is managed by fungicides at anthesis, but their efficacy is variable. Conventional fungicides accumulate in the soil and are dangerous for animal and human health. This study assayed the antifungal ability of chitosan hydrochloride against Fusarium graminearum. Chitosan reduced F. graminearum growth and downregulated the transcript of the major genes involved in the cell growth, respiration, virulence, and trichothecenes biosynthesis. Chitosan promoted the germination rate, the root and coleoptile development, and the nitrogen balance index in two durum wheat genotypes, Marco Aurelio (FHB-susceptible) and DBC480 (FHB-resistant). Chitosan reduced FHB severity when applied on spikes or on the flag leaves. FHB severity in DBC480 was of 6% at 21 dpi after chitosan treatments compared to F. graminearum inoculated control (20%). The elicitor-like property of chitosan was confirmed by the up-regulation of TaPAL, TaPR1 and TaPR2 (around 3-fold). Chitosan decreased the fungal spread and mycotoxins accumulation. This study demonstrated that the non-toxic chitosan is a powerful molecule with the potential to replace the conventional fungicides. The combination of a moderately resistant genotype (DBC480) with a sustainable compound (chitosan) will open new frontiers for the reduction of conventional compounds in agriculture.
Raman Spectroscopy Studies on the Barocaloric Hybrid Perovskite [(CH3)4N][Cd(N3)3]
Authors: da Silva Rosivaldo Xavier , de Araujo Paschoal Carlos William , Costa dos Santos Clenilton , García-Fernández Alberto , Salgado-Beceiro Jorge , Señarís-Rodríguez María Antonia , Sanchez-Andujar Manuel , Nonato Almeida de Abreu Silva Ariel
Published: October 2020

Temperature-dependent Raman scattering and differential scanning calorimetry were applied to the study of the hybrid organic-inorganic azide-perovskite [(CH3)4N][Cd(N3)3], a compound with multiple structural phase transitions as a function of temperature. A significant entropy variation was observed associated to such phase transitions, |∆S| ~ 62.09 J·kg−1 K−1, together with both a positive high barocaloric (BC) coefficient |δTt/δP| ~ 12.39 K kbar−1 and an inverse barocaloric (BC) coefficient |δTt/δP| ~ −6.52 kbar−1, features that render this compound interesting for barocaloric applications. As for the obtained Raman spectra, they revealed that molecular vibrations associated to the NC4, N3– and CH3 molecular groups exhibit clear anomalies during the phase transitions, which include splits and discontinuity in the phonon wavenumber and lifetime. Furthermore, variation of the TMA+ and N3– modes with temperature revealed that while some modes follow the conventional red shift upon heating, others exhibit an unconventional blue shift, a result which was related to the weakening of the intermolecular interactions between the TMA (tetramethylammonium) cations and the azide ligands and the concomitant strengthening of the intramolecular bondings. Therefore, these studies show that Raman spectroscopy is a powerful tool to gain information about phase transitions, structures and intermolecular interactions between the A-cation and the framework, even in complex hybrid organic-inorganic perovskites with highly disordered phases.
Influence of Nanoencapsulation Using High-Pressure Homogenization on the Volatile Constituents and Anticancer and Antioxidant Activities of Algerian Saccocalyx satureioides Coss. et Durieu
Authors: Aouf Abdelhakim , Ali Hatem , Al-Khalifa Abdel Rahman , Mahmoud Khaled Fahmy , Farouk Amr
Published: October 2020

The nanoencapsulation of essential oils enhances their applicability in several areas, such as pharmaceuticals and food biopreservation. This study focuses on the encapsulation of Saccocalyx satureioides Coss. et Durieu essential oil into nanoemulsions by high-pressure homogenization (HPH) and its effect on the volatile constituents and the antioxidant and anticancer activities of the essential oil. The analysis of hydrodistilled (HD) S. satureioides essential oil using gas chromatography–mass spectrometry revealed a total of 28 constituents, representing 99.80%, while only 13 constituents were identified in nanoemulsions, representing 98.65% of the total volatile material. The use of HPH led to qualitative and quantitative differences between the volatile profiles of the HD and the nanoemulsion of S. satureioides essential oil. Whereas borneol, α-terpineol, and thymol were the predominant constituents in the HD oil, carvacrol, thymol, and γ-terpinene were the major constituents in the nanoemulsion. The antioxidant activity of the S. satureioides essential oil nanoemulsion displayed was lower as compared to that of HD oil using DPPH free radical–scavenging, CUPRAC, and ABTS assays. This is consistent with the differences in total flavonoid, total phenolic, and volatiles detected in both HD oil and its nanoemulsion. Meanwhile, the cytotoxicity on liver cancer cells (Hep-G2) was stronger using nanoemulsions (106 μg/mL) than using HD oil (274.8 μg/mL).
Rhizopus oligosporus and Lactobacillus plantarum Co-Fermentation as a Tool for Increasing the Antioxidant Potential of Grass Pea and Flaxseed Oil-Cake Tempe
Authors: Stodolak Bożena , Starzyńska-Janiszewska Anna , Mika Magdalena , Wikiera Agnieszka
Published: October 2020

Tempe-type fermentation originating from Indonesia can enhance the antioxidant activity of plant material. However, this biological potential depends on substrates and applied microorganisms. This study aimed to determine whether co-fermentation with Rhizopus oligosporus and Lactobacillus plantarum improved antioxidant activity of tempe obtained from grass pea seeds with flaxseed oil-cake addition (up to 30%). For this purpose, substances reacting with Folin–Ciocalteu reagent and free radicals scavenging potential were measured in water-soluble fractions and dialysates from simulated in vitro digestion. Additionally, the water-soluble phenolic profile was estimated. The higher level of water-extractable compounds with antioxidant activity was determined in co-fermentation products than in fungal fermentation products. Moreover, the fermentation process with the use of L. plantarum contributed to a greater accumulation of some phenolic acids (gallic acid, protocatechuic acid) in tempe without having a negative effect on the levels of other phenolic compounds determined in fungal fermented tempe. During in vitro digestion simulating the human digestive tract, more antioxidant compounds were released from products obtained after co-fermentation than fungal fermentation. An addition of 20% flaxseed oil-cake and the application of bacterial–fungal co-fermentation, can be considered as an alternative tool to enhance the antioxidant parameters of grass pea tempe.
Involvement of miR-142 and miR-155 in Non-Infectious Complications of CVID
Authors: Amato Giuliana , Vita Federica , Quattrocchi Paolina , Minciullo Paola Lucia , Pioggia Giovanni , Gangemi Sebastiano
Published: October 2020

Background and objectives: Common variable immunodeficiency (CVID) is the most prevalent antibody impairment. It is characterized by failure in immunoglobulin and protective antibody generation and defined by an increased tendency toward bacterial infections, autoimmunity, and malignancy. Most CVID diagnoses do not follow a classical Mendelian pattern of inheritance. In recent years, CVID has been considered an epigenetic phenomenon in the majority of cases, overtaking previous monogenetic and/or polygenetic theories. The aim of this study was to review the role of microRNAs (miRNAs) in CVID, focusing on the involvement of the same miRNAs in various non-infectious clinical complications of CVID, mainly autoimmunity and/or cancer. Materials and Methods: A bibliographic search of the scientific literature was carried out independently by two researchers in scientific databases and search engines. The MeSH terms “microRNAs” and “common variable immunodeficiency” were used. All research articles from inception to May 2020 were considered. Results: The literature data showed the involvement of two miRNAs in primary immunodeficiency: miR-142 and miR-155. Both of these miRNAs have been investigated through mice models, in which miR-142 and miR-155 were deleted. These knock-out (KO) mice models showed phenotypic analogies to CVID patients with hypogammaglobulinemia, adaptive immunodeficiency, polyclonal proliferation, lung disease, and enteric inflammation. miR-142 and miR-155 have been found to be involved in the following autoimmune and neoplastic clinical complications of CVID: Gastric cancer, gastric mucosa-associated lymphoid tissue (MALT) lymphoma, natural killer/Tcell lymphoma (NKTCL), and immune thrombocytopenia. Conclusions: miR-142 and miR-155 deregulation leads to similar CVID phenotypesin KO mice models. Although no data are available on the involvement of these miRNAs in human CVID, their dysregulation has been detected in human CVID comorbidities. The literature data show that miRNA sequences in murine models are comparable to those in humans; therefore, miR-142 and miR-155 involvement in human CVID could be hypothesized.
Antibody–Drug Conjugates for Cancer Therapy
Authors: Hafeez Umbreen , Parakh Sagun , Gan Hui K. , Scott Andrew M.
Published: October 2020

Antibody–drug conjugates (ADCs) are novel drugs that exploit the specificity of a monoclonal antibody (mAb) to reach target antigens expressed on cancer cells for the delivery of a potent cytotoxic payload. ADCs provide a unique opportunity to deliver drugs to tumor cells while minimizing toxicity to normal tissue, achieving wider therapeutic windows and enhanced pharmacokinetic/pharmacodynamic properties. To date, nine ADCs have been approved by the FDA and more than 80 ADCs are under clinical development worldwide. In this paper, we provide an overview of the biology and chemistry of each component of ADC design. We briefly discuss the clinical experience with approved ADCs and the various pathways involved in ADC resistance. We conclude with perspectives about the future development of the next generations of ADCs, including the role of molecular imaging in drug development.
Reduction and Oxidation of Cu Species in Cu-Faujasites Studied by IR Spectroscopy
Authors: Kuterasiński Łukasz , Podobiński Jerzy , Madej Ewa , Smoliło-Utrata Małgorzata , Rutkowska-Zbik Dorota , Datka Jerzy
Published: October 2020

The process of reduction (by hydrogen and ethanol) and oxidation (by oxygen and NO) of Cu sites in dealuminated faujasite-type zeolites (of Si/Al = 31) was studied by infrared (IR) spectroscopy with CO (for Cu+) and NO (for Cu2+) as probe molecules. Two zeolites were studied: one of them contained mostly Cu+exch., whereas another one contained mostly Cu2+ and Cu+ox. The susceptibility of various forms of Cu for reduction were investigated. IR experiments of CO sorption evidenced that Cu+ox. was more prone for the reduction than Cu+exch. According to NO sorption studies, Cu2+exch. was reduced in the first order before Cu2+ox. Ethanol reduced mostly Cu2+ and, also, some amounts of Cu+. The treatment with oxygen caused the oxidation of Cu+ (both Cu+exch. and Cu+ox.) to Cu2+. The adsorption of NO at 190K produced Cu+(NO)2 dinitrosyls, but heating to room temperature transformed dinitrosyls to mononitrosyls and increased the Cu2+ content.
Association of Moderate Beer Consumption with the Gut Microbiota and SCFA of Healthy Adults
Authors: González-Zancada Natalia , Redondo-Useros Noemí , Díaz Ligia E. , Gómez-Martínez Sonia , Marcos Ascensión , Nova Esther
Published: October 2020

Fermented alcoholic drinks’ contribution to the gut microbiota composition is mostly unknown. However, intestinal microorganisms can use compounds present in beer. This work explored the associations between moderate consumption of beer, microbiota composition, and short chain fatty acid (SCFA) profile. Seventy eight subjects were selected from a 261 healthy adult cohort on the basis of their alcohol consumption pattern. Two groups were compared: (1) abstainers or occasional consumption (ABS) (n = 44; <1.5 alcohol g/day), and (2) beer consumption ≥70% of total alcohol (BEER) (n = 34; 200 to 600 mL 5% vol. beer/day; <15 mL 13% vol. wine/day; <15 mL 40% vol. spirits/day). Gut microbiota composition (16S rRNA gene sequencing) and SCFA concentration were analyzed in fecal samples. No differences were found in α and β diversity between groups. The relative abundance of gut bacteria showed that Clostridiaceae was lower (p = 0.009), while Blautia and Pseudobutyrivibrio were higher (p = 0.044 and p = 0.037, respectively) in BEER versus ABS. In addition, Alkaliphilus, in men, showed lower abundance in BEER than in ABS (p = 0.025). Butyric acid was higher in BEER than in ABS (p = 0.032), and correlated with Pseudobutyrivibrio abundance. In conclusion, the changes observed in a few taxa, and the higher butyric acid concentration in consumers versus non-consumers of beer, suggest a potentially beneficial effect of moderate beer consumption on intestinal health.