bluuebunny/crossref_metadata_2025 huggingface dataset:
Origin of S-, A- and I-Type Granites: Petrogenetic Evidence from Whole Rock Th/U Ratio Variations
Authors: Regelous Anette , Scharfenberg Lars , De Wall Helga
Published: June 2021

The origin and evolution of granites remain a matter of debate and several approaches have been made to distinguish between different granite types. Overall, granite classification schemes based on element concentrations and ratios, tectonic settings or the source rocks (I-, A-, S-type) are widely used, but so far, no systematic large-scale study on Th/U ratio variations in granites based on their source or tectonic setting has been carried out, even though these elements show very similar behavior during melting and subsequent processes. We therefore present a compiled study, demonstrating an easy approach to differentiate between S-, A- and I-type granites using Th and U concentrations and ratios measured with a portable gamma ray spectrometer. Th and U concentrations from 472 measurements in S- and I-type granites from the Variscan West-Bohemian Massif, Germany, and 78 measurements from Neoproterozoic A-type Malani granites, India, are evaluated. Our compendium shows significant differences in the average Th/U ratios of A-, I- and S-type granites and thus gives information about the source rock and can be used as an easy classification scheme. Considering all data from the studied A-, I- and S-type granites, Th/U ratios increase with rising Th concentrations. A-type granites have the highest Th/U ratios and high Th concentrations, followed by I-type granites. Th/U ratios in S- to I-type granites are lower than in A-type and I-type granites, but higher than in S-type granites. The variation of Th/U ratios in all three types of granite cannot be explained by fractional crystallization of monazite, zircon and other Th and U bearing minerals alone, but are mainly due to source heterogeneities and uranium mobilization processes.
Paleoclimatic and Redox Condition Changes during Early-Middle Jurassic in the Yili Basin, Northwest China
Authors: Chao Hui , Hou Mingcai , Jiang Wenjian , Cao Haiyang , Chang Xiaolin , Luo Wen , Ogg James G.
Published: June 2021

The Jurassic was mainly a “greenhouse” period characterized by global warming and by significant peat accumulations in some continental basins. However, studies of Jurassic climate and environments have mainly focused on marine records and only a few on terrestrial sediments. Yili Basin, a mid-latitude terrestrial basin in present Northwest China, included accumulation of the important recoverable coal seams. In this study, geological data, clay mineral analysis, and palynological assemblages were employed on fine-grained samples from the Su’asugou section in southern Yili Basin. The factors (paleoclimate, depositional conditions, and paleo-vegetation) impacting peat accumulation were investigated. The results suggest that the siliciclastics may have been derived from exposed Carboniferous rocks in a continental arc environment. A warm and humid paleoclimate in the Yili basin dominated during the early-Early Jurassic deposition of the Badaowan Formation and the Middle Jurassic deposition of the Xishanyao Formation. This climate contributed to high sedimentary rates and to a high productivity of peat-forming paleo-vegetation that was preserved under dysoxic conditions. In contrast, during the late-Early Jurassic between these two formations, the Sangonghe Formation was an interval of relatively aridity that included red beds preserved under more hypoxic sedimentary conditions, and with an interruption in peat formation and preservation.
Gundelia tournefortii: Fractionation, Chemical Composition and GLUT4 Translocation Enhancement in Muscle Cell Line
Authors: Kadan Sleman , Melamed Sarit , Benvalid Shoshana , Tietel Zipora , Sasson Yoel , Zaid Hilal
Published: June 2021

Type 2 diabetes (T2D) is a chronic metabolic disease, which could affect the daily life of patients and increase their risk of developing other diseases. Synthetic anti-diabetic drugs usually show severe side effects. In the last few decades, plant-derived drugs have been intensively studied, particularly because of a rapid development of the instruments used in analytical chemistry. We tested the efficacy of Gundelia tournefortii L. (GT) in increasing the translocation of glucose transporter-4 (GLUT4) to the myocyte plasma membrane (PM), as a main strategy to manage T2D. In this study, GT methanol extract was sub-fractionated into 10 samples using flash chromatography. The toxicity of the fractions on L6 muscle cells, stably expressing GLUTmyc, was evaluated using the MTT assay. The efficacy with which GLUT4 was attached to the L6 PM was evaluated at non-toxic concentrations. Fraction 6 was the most effective, as it stimulated GLUT4 translocation in the absence and presence of insulin, 3.5 and 5.2 times (at 250 μg/mL), respectively. Fraction 1 and 3 showed no significant effects on GLUT4 translocation, while other fractions increased GLUT4 translocation up to 2.0 times. Gas chromatography–mass spectrometry of silylated fractions revealed 98 distinct compounds. Among those compounds, 25 were considered anti-diabetic and glucose disposal agents. These findings suggest that GT methanol sub-fractions exert an anti-diabetic effect by modulating GLUT4 translocation in L6 muscle cells, and indicate the potential of GT extracts as novel therapeutic agents for T2D.
The Applicability of Essential Oils in Different Stages of Production of Animal-Based Foods
Authors: Mucha Weronika , Witkowska Dorota
Published: June 2021

Essential oils (EOs) have been used for centuries, and interest in these compounds has been revived in recent years. Due to their unique chemical composition as well as antimicrobial, immunostimulatory, anti-inflammatory and antioxidant properties, EOs are used in pharmacology, cosmetology and, increasingly, in animal breeding and rearing, and processing of animal raw materials. Essential oils have become a natural alternative to preservatives, taste enhancers and, most importantly, antibiotics, because the European Union banned the use of antibiotics in metaphylaxis in animal husbandry in 2006. In the animal production chain, EOs are used mainly as feed additives to improve feed palatability and increase feed intake, improve animal resistance and health status, and to prevent and treat diseases. Recent research indicates that EOs can also be applied to sanitize poultry houses, and they can be used as biopesticides in organic farming. Essential oils effectively preserve meat and milk and, consequently, improve the safety, hygiene and quality of animal-based foods. Novel technologies such as encapsulation may increase the bioavailability of EOs and their application in the production of food and feed additives.
Hydrogen-Bonded Cyclic Dimers at Large Compression: The Case of 1H-pyrrolo[3,2-h]quinoline and 2-(2′-pyridyl)pyrrole
Authors: Kurzydłowski Dominik , Chumak Taisiia , Rogoża Jakub , Listkowski Arkadiusz
Published: June 2021

1H-pyrrolo[3,2-h]qinoline (PQ) and 2-(2′-pyridyl)pyrrole (PP) are important systems in the study of proton-transfer reactions. These molecules possess hydrogen bond donor (pyrrole) and acceptor (pyridine) groups, which leads to the formation of cyclic dimers in their crystals. Herein, we present a joint experimental (Raman scattering) and computational (DFT modelling) study on the high-pressure behaviour of PQ and PP molecular crystals. Our results indicate that compression up to 10 GPa (100 kbar) leads to considerable strengthening of the intermolecular hydrogen bond within the cyclic dimers. However, the intramolecular N–H∙∙∙N interaction is either weakly affected by pressure, as witnessed in PQ, or weakened due to compression-induced distortions of the molecule, as was found for PP. Therefore, we propose that the compression of these systems should facilitate double proton transfer within the cyclic dimers of PQ and PP, while intramolecular transfer should either remain unaffected (for PQ) or weakened (for PP).
Urease Inhibitory Kinetic Studies of Various Extracts and Pure Compounds from Cinnamomum Genus
Authors: Kumar Manoj , Sikri Neha , Chahal Sulekha , Sharma Jitender , Sharma Bhavna , Yadav Poonam , Bhardwaj Monika , Vashishth Divya , Kadyan Pooja , Kataria Sudhir Kumar , Dalal Sunita
Published: June 2021

Urease is an enzyme that plays a significant role in the hydrolysis of urea into carbonic acid and ammonia via the carbamic acid formation. The resultant increase in pH leads to the onset of various pathologies such as gastric cancer, urolithiasis, hepatic coma, hepatic encephalopathy, duodenal ulcers and peptic ulcers. Urease inhibitors can reduce the urea hydrolysis rate and development of various diseases. The Cinnamomum genus is used in a large number of traditional medicines. It is well established that stem bark of Cinnamomum cassia exhibits antiulcerogenic potential. The present study evaluated the inhibitory effect of seven extracts of Cinnamomum camphora, Cinnamomum verum and two pure compounds Camphene and Cuminaldehyde on urease enzyme. Kinetic studies of potential inhibitors were carried out. Methanol extract (IC50 980 µg/mL) of C. camphora and a monoterpene Camphene (IC50 0.147 µg/mL) possess significant inhibitory activity. The Lineweaver Burk plot analysis suggested the competitive inhibition by methanol extract, hexane fraction and Camphene. The Gas Chromatography-Mass Spectroscopy (GC–MS) analysis of hexane fraction revealed the contribution of various terpenes. The present study targets terpenes as a new class of inhibitors that have potential therapeutic value for further development as novel drugs.
Anthocyanins: Promising Natural Products with Diverse Pharmacological Activities
Authors: Liu Jiaqi , Zhou Hongbing , Song Li , Yang Zhanjun , Qiu Min , Wang Jia , Shi Songli
Published: June 2021

Anthocyanins are natural products that give color to plants. As natural plant pigments, anthocyanins also have a series of health-promoting benefits. Many researchers have proved that anthocyanins have therapeutic effects on diseases, such as circulatory, nervous, endocrine, digestive, sensory, urinary and immune systems. Additionally, a large number of studies have reported that anthocyanins have an anticancer effect through a wide range of anti-inflammatory and antioxidant effects. The anti-disease impact and mechanism of anthocyanins are diverse, so they have high research value. This review summarizes the research progress of anthocyanins on the pharmacological agents of different diseases to provide references for subsequent research.
Identification and Study of Biomarkers from Novichok-Inhibited Butyrylcholinesterase in Human Plasma
Authors: Jeong Woo-Hyeon , Lee Jin-Young , Lim Kyoung-Chan , Kim Hyun-Suk
Published: June 2021

To identify biomarkers of ethyl (1-(diethylamino)ethylidene)phosphoramidofluoridate (A234)- or methyl (1-(diethylamino)ethylidene)phosphoramidofluoridate (A232)-inhibited butyrylcholinesterase (BChE), we investigated nonapeptide adducts containing the active site serine, which plays a key role in enzyme activity, using LC-MS/HRMS. Biomarkers were acquired as expected, and they exhibited a significant amount of fragment ions from the inhibiting agent itself, in contrast to the MS2 spectra of conventional nerve agents. These biomarkers had a higher abundance of [M+2H]2+ ions than [M+H]+ ions, making doubly charged ions more suitable for trace analysis.
Recent Advances in Crystalline Oxidopolyborate Complexes of d-Block or p-Block Metals: Structural Aspects, Syntheses, and Physical Properties
Authors: Xin Shu-Sheng , Zhou Ming-Hua , Beckett Michael A. , Pan Chun-Yang
Published: June 2021

Crystalline materials containing hybrid inorganic–organic metal borates (complexes with oxidoborate ligands) display a variety of novel framework building blocks. The structural aspects of these hybrid metallaoxidoborates containing Cd(II), Co(II), Cu(II), Ga(III), In(III), Mn(II), Ni(II) or Zn(II) metal centers are discussed in this review. The review describes synthetic approaches to these hybrid materials, their physical properties, their spectroscopic properties and their potential applications.
Search for Non-Protein Protease Inhibitors Constituted with an Indole and Acetylene Core
Authors: Almaraz-Girón Marco A. , Calderón-Jaimes Ernesto , Carrillo Adrián Sánchez , Díaz-Cervantes Erik , Alonso Edith Castañón , Islas-Jácome Alejandro , Domínguez-Ortiz Armando , Castañón-Alonso Sandra L.
Published: June 2021

A possible inhibitor of proteases, which contains an indole core and an aromatic polar acetylene, was designed and synthesized. This indole derivative has a molecular architecture kindred to biologically relevant species and was obtained through five synthetic steps with an overall yield of 37% from the 2,2′-(phenylazanediyl)di(ethan-1-ol). The indole derivative was evaluated through docking assays using the main protease (SARS-CoV-2-Mpro) as a molecular target, which plays a key role in the replication process of this virus. Additionally, the indole derivative was evaluated as an inhibitor of the enzyme kallikrein 5 (KLK5), which is a serine protease that can be considered as an anticancer drug target.
Semi-Automated Determination of Heavy Metals in Autopsy Tissue Using Robot-Assisted Sample Preparation and ICP-MS
Authors: Fleischer Heidi , Lutter Christoph , Büttner Andreas , Mittelmeier Wolfram , Thurow Kerstin
Published: June 2021

The endoprosthetic care of hip and knee joints introduces multiple materials into the human body. Metal containing implant surfaces release degradation products such as particulate wear and corrosion debris, metal-protein complexes, free metallic ions, inorganic metal salts or oxides. Depending on the material composition of the prostheses, a systemic exposure occurs and may result in increasing metal concentrations in body fluids and tissues especially in the case of malfunctions of the arthroplasty components. High concentrations of Cr, Co, Ni, Ti and Al affect multiple organs such as thyroid, heart, lung and cranial nerves and may lead to metallosis, intoxications, poly-neuropathy, retinopathy, cardiomyopathy and the formation of localized pseudo tumors. The determination of the concentration of metals in body fluids and tissues can be used for predicting failure of hip or knee replacements to prevent subsequent severe intoxications. A semi-automated robot-assisted measurement system is presented for the determination of heavy metals in human tissue samples using inductively coupled plasma mass spectrometry (ICP-MS). The manual and automated measurement processes were similarly validated using certified reference material and the results are compared and discussed. The automation system was successfully applied in the determination of heavy metals in human tissue; the first results are presented.
Exploring New Scaffolds for the Dual Inhibition of HIV-1 RT Polymerase and Ribonuclease Associated Functions
Authors: Meleddu Rita , Corona Angela , Distinto Simona , Cottiglia Filippo , Deplano Serenella , Sequeira Lisa , Secci Daniela , Onali Alessia , Sanna Erica , Esposito Francesca , Cirone Italo , Ortuso Francesco , Alcaro Stefano , Tramontano Enzo , Mátyus Péter , Maccioni Elias
Published: June 2021

Current therapeutic protocols for the treatment of HIV infection consist of the combination of diverse anti-retroviral drugs in order to reduce the selection of resistant mutants and to allow for the use of lower doses of each single agent to reduce toxicity. However, avoiding drugs interactions and patient compliance are issues not fully accomplished so far. Pursuing on our investigation on potential anti HIV multi-target agents we have designed and synthesized a small library of biphenylhydrazo 4-arylthiazoles derivatives and evaluated to investigate the ability of the new derivatives to simultaneously inhibit both associated functions of HIV reverse transcriptase. All compounds were active towards the two functions, although at different concentrations. The substitution pattern on the biphenyl moiety appears relevant to determine the activity. In particular, compound 2-{3-[(2-{4-[4-(hydroxynitroso)phenyl]-1,3-thiazol-2-yl} hydrazin-1-ylidene) methyl]-4-methoxyphenyl} benzamide bromide (EMAC2063) was the most potent towards RNaseH (IC50 = 4.5 mM)- and RDDP (IC50 = 8.0 mM) HIV RT-associated functions.
Novel, Stable Catholyte for Aqueous Organic Redox Flow Batteries: Symmetric Cell Study of Hydroquinones with High Accessible Capacity
Authors: Yang Xian , Garcia Sergio , Janoschka Tobias , Kónya Dénes , Hager Martin , Schubert Ulrich
Published: June 2021

Owing to their broad range of redox potential, quinones/hydroquinones can be utilized for energy storage in redox flow batteries. In terms of stability, organic catholytes are more challenging than anolytes. The two-electron transfer feature adds value when building all-quinone flow battery systems. However, the dimerization of quinones/hydroquinones usually makes it difficult to achieve a full two-electron transfer in practical redox flow battery applications. In this work, we designed and synthesized four new hydroquinone derivatives bearing morpholinomethylene and/or methyl groups in different positions on the benzene ring to probe molecular stability upon battery cycling. The redox potential of the four molecules were investigated, followed by long-term stability tests using different supporting electrolytes and cell cycling methods in a symmetric flow cell. The derivative with two unoccupied ortho positions was found highly unstable, the cell of which exhibited a capacity decay rate of ~50% per day. Fully substituted hydroquinones turned out to be more stable. In particular, 2,6-dimethyl-3,5-bis(morpholinomethylene)benzene-1,4-diol (asym-O-5) displayed a capacity decay of only 0.45%/day with four-week potentiostatic cycling at 0.1 M in 1 M H3PO4. In addition, the three fully substituted hydroquinones displayed good accessible capacity of over 82%, much higher than those of conventional quinone derivatives.
Design, Sustainable Synthesis and Biological Evaluation of a Novel Dual α2A/5-HT7 Receptor Antagonist with Antidepressant-Like Properties
Authors: Canale Vittorio , Kotańska Magdalena , Dziubina Anna , Stefaniak Matylda , Siwek Agata , Starowicz Gabriela , Marciniec Krzysztof , Kasza Patryk , Satała Grzegorz , Duszyńska Beata , Bantreil Xavier , Lamaty Frédéric , Bednarski Marek , Sapa Jacek , Zajdel Paweł
Published: June 2021

The complex pathophysiology of depression, together with the limits of currently available antidepressants, has resulted in the continuous quest for alternative therapeutic strategies. Numerous findings suggest that pharmacological blockade of α2-adrenoceptor might be beneficial for the treatment of depressive symptoms by increasing both norepinephrine and serotonin levels in certain brain areas. Moreover, the antidepressant properties of 5-HT7 receptor antagonists have been widely demonstrated in a large set of animal models. Considering the potential therapeutic advantages in targeting both α2-adrenoceptors and 5-HT7 receptors, we designed a small series of arylsulfonamide derivatives of (dihydrobenzofuranoxy)ethyl piperidines as dually active ligands. Following green chemistry principles, the designed compounds were synthesized entirely using a sustainable mechanochemical approach. The identified compound 8 behaved as a potent α2A/5-HT7 receptor antagonist and displayed moderate-to-high selectivity over α1-adrenoceptor subtypes and selected serotonin and dopaminergic receptors. Finally, compound 8 improved performance of mice in the forced swim test, displaying similar potency to the reference drug mirtazapine.
Novel Facet of an Old Dietary Molecule? Direct Influence of Caffeine on Glucose and Biogenic Amine Handling by Human Adipocytes
Authors: Ahmed Wiem Haj , Boulet Nathalie , Briot Anaïs , Ryan Barry J. , Kinsella Gemma K. , O’Sullivan Jeffrey , Les Francisco , Mercader-Barceló Josep , Henehan Gary T. M. , Carpéné Christian
Published: June 2021

Caffeine is a plant alkaloid present in food and beverages consumed worldwide. It has high lipid solubility with recognized actions in the central nervous system and in peripheral tissues, notably the adipose depots. However, the literature is scant regarding caffeine’s influence on adipocyte functions other than lipolysis, such as glucose incorporation into lipids (lipogenesis) and amine oxidation. The objective of this study was to explore the direct effects of caffeine and of isobutylmethylxanthine (IBMX) on these adipocyte functions. Glucose transport into fat cells freshly isolated from mice, rats, or humans was monitored by determining [3H]-2-deoxyglucose (2-DG) uptake, while the incorporation of radiolabeled glucose into cell lipids was used as an index of lipogenic activity. Oxidation of benzylamine by primary amine oxidase (PrAO) was inhibited by increasing doses of caffeine in human adipose tissue preparations with an inhibition constant (Ki) in the millimolar range. Caffeine inhibited basal and insulin-stimulated glucose transport as well as lipogenesis in rodent adipose cells. The antilipogenic action of caffeine was also observed in adipocytes from mice genetically invalidated for PrAO activity, indicating that PrAO activity was not required for lipogenesis inhibition. These caffeine inhibitory properties were extended to human adipocytes: relative to basal 2-DG uptake, set at 1.0 ± 0.2 for 6 individuals, 0.1 mM caffeine tended to reduce uptake to 0.83 ± 0.08. Insulin increased uptake by 3.86 ± 1.11 fold when tested alone at 100 nM, and by 3.21 ± 0.80 when combined with caffeine. Our results reinforce the recommendation of caffeine’s potential in the treatment or prevention of obesity complications.
Proteomic Advances in Milk and Dairy Products
Authors: Agregán Rubén , Echegaray Noemí , López-Pedrouso María , Kharabsheh Radwan , Franco Daniel , Lorenzo José M.
Published: June 2021

Proteomics is a new area of study that in recent decades has provided great advances in the field of medicine. However, its enormous potential for the study of proteomes makes it also applicable to other areas of science. Milk is a highly heterogeneous and complex fluid, where there are numerous genetic variants and isoforms with post-translational modifications (PTMs). Due to the vast number of proteins and peptides existing in its matrix, proteomics is presented as a powerful tool for the characterization of milk samples and their products. The technology developed to date for the separation and characterization of the milk proteome, such as two-dimensional gel electrophoresis (2DE) technology and especially mass spectrometry (MS) have allowed an exhaustive characterization of the proteins and peptides present in milk and dairy products with enormous applications in the industry for the control of fundamental parameters, such as microbiological safety, the guarantee of authenticity, or the control of the transformations carried out, aimed to increase the quality of the final product.
Potential Hydrothermal-Humification of Vegetable Wastes by Steam Explosion and Structural Characteristics of Humified Fractions
Authors: Sui Wenjie , Li Shunqin , Zhou Xiaodan , Dou Zishan , Liu Rui , Wu Tao , Jia Hongyu , Wang Guanhua , Zhang Min
Published: June 2021

In this work, steam explosion (SE) was exploited as a potential hydrothermal-humification process of vegetable wastes to deconstruct their structure and accelerate their decomposition to prepare humified substances. Results indicated that the SE process led to the removal of hemicellulose, re-condensation of lignin, degradation of the cellulosic amorphous region, and the enhancement of thermal stability of broccoli wastes, which provided transformable substrates and a thermal-acidic reaction environment for humification. After SE treatment, total humic substances (HS), humic acids (HAs), and fulvic acids (FAs) contents of broccoli samples accounted for up to 198.3 g/kg, 42.3 g/kg, and 166.6 g/kg, and their purification were also facilitated. With the increment of SE severity, structural characteristics of HAs presented the loss of aliphatic compounds, carbohydrates, and carboxylic acids and the enrichment of aromatic structures and N-containing groups. Lignin substructures were proved to be the predominant aromatic structures and gluconoxylans were the main carbohydrates associated with lignin in HAs, both of their signals were enhanced by SE. Above results suggested that SE could promote the decomposition of easily biodegradable matters and further polycondensation, aromatization, and nitrogen-fixation reactions during humification, which were conducive to the formation of HAs.
A Bioactive Compound from Sanguisorba officinalis L. Inhibits Cell Proliferation and Induces Cell Death in 5-Fluorouracil-Sensitive/Resistant Colorectal Cancer Cells
Authors: Zhang Weijia , Peng Chang , Shen Xue , Yuan Yuemei , Zhang Wei , Yang Chunjuan , Yao Meicun
Published: June 2021

Colorectal cancer (CRC) is one of the most common cancer in the world. The first line chemotherapeutic agent, 5-fluorouracil (5-FU), plays a predominant role in the clinical treatment of CRC. However, with the wide use of 5-FU, more and more CRC patients have been obtaining drug resistance to 5-FU, which leads to a large amount of treatment failures. One of the effective strategies to overcome this obstacle is to find bioactive natural products from traditional medicine. In our previous work, Sanguisorba officinalis L. was found to exert a strong anti-proliferative activity against 5-FU-senstive/resistant CRC cells. Therefore, several compounds were isolated from this herb and screened for their anti-CRC effects to find promising compounds. Among them, a triterpenoid compound named 3β-[(α-l-arabinopyranosyl) oxy]-urs-12,18(19)-dien-28-oic acid β-d-glucopyranosyl ester (AGE), showed strong activity against both 5-FU-senstive and resistant CRC cells. In order to further study the mechanism of AGE on CRC cells, flow cytometer analysis, mitochondrial membrane potential (MMP) measurement, Western blotting, and RT-PCR assays were performed. Results demonstrated that AGE induced cell death by apoptosis pathway and autophagy, and inhibited cell proliferation via cell cycle arrest in G0-G1 phase mediated by Wnt signaling pathway. Therefore, AGE may be a potential bioactive compound for CRC treatment in clinic.
Novel Poly(ester urethane urea)/Polydioxanone Blends: Electrospun Fibrous Meshes and Films
Authors: Adhikari Kiran R. , Stanishevskaya Inessa , Caracciolo Pablo C. , Abraham Gustavo A. , Thomas Vinoy
Published: June 2021

In this work, we report the electrospinning and mechano-morphological characterizations of scaffolds based on blends of a novel poly(ester urethane urea) (PHH) and poly(dioxanone) (PDO). At the optimized electrospinning conditions, PHH, PDO and blend PHH/PDO in Hexafluroisopropanol (HFIP) solution yielded bead-free non-woven random nanofibers with high porosity and diameter in the range of hundreds of nanometers. The structural, morphological, and biomechanical properties were investigated using Differential Scanning Calorimetry, Scanning Electron Microscopy, Atomic Force Microscopy, and tensile tests. The blended scaffold showed an elastic modulus (~5 MPa) with a combination of the ultimate tensile strength (2 ± 0.5 MPa), and maximum elongation (150% ± 44%) in hydrated conditions, which are comparable to the materials currently being used for soft tissue applications such as skin, native arteries, and cardiac muscles applications. This demonstrates the feasibility of an electrospun PHH/PDO blend for cardiac patches or vascular graft applications that mimic the nanoscale structure and mechanical properties of native tissue.
Environment-Sensitive Fluorescence of 7-Nitrobenz-2-oxa-1,3-diazol-4-yl (NBD)-Labeled Ligands for Serotonin Receptors
Authors: Sarkar Parijat , Harikumar Kaleeckal G. , Rawat Satinder S. , Das Sanjib , Chakraborty Tushar K. , Chattopadhyay Amitabha
Published: June 2021

Serotonin is a neurotransmitter that plays a crucial role in the regulation of several behavioral and cognitive functions by binding to a number of different serotonin receptors present on the cell surface. We report here the synthesis and characterization of several novel fluorescent analogs of serotonin in which the fluorescent NBD (7-nitrobenz-2-oxa-1,3-diazol-4-yl) group is covalently attached to serotonin. The fluorescent ligands compete with the serotonin1A receptor specific radiolabeled agonist for binding to the receptor. Interestingly, these fluorescent ligands display a high environmental sensitivity of their fluorescence. Importantly, the human serotonin1A receptor stably expressed in CHO-K1 cells could be specifically labeled with one of the fluorescent ligands with minimal nonspecific labeling. Interestingly, we show by spectral imaging that the NBD-labeled ligand exhibits a red edge excitation shift (REES) of 29 nm when bound to the receptor, implying that it is localized in a restricted microenvironment. Taken together, our results show that NBD-labeled serotonin analogs offer an attractive fluorescent approach for elucidating the molecular environment of the serotonin binding site in serotonin receptors. In view of the multiple roles played by the serotonergic systems in the central and peripheral nervous systems, these fluorescent ligands would be useful in future studies involving serotonin receptors.
Mechanochemical Synthesis and Nitrogenation of the Nd1.1Fe10CoTi Alloy for Permanent Magnet
Authors: Martínez Sánchez Hugo , Hadjipanayis George , Pérez Alcázar Germán Antonio , Zamora Alfonso Ligia Edith , Trujillo Hernández Juan Sebastián
Published: June 2021

In this work, the mechanochemical synthesis method was used for the first time to produce powders of the nanocrystalline Nd1.1Fe10CoTi compound from Nd2O3, Fe2O3, Co and TiO2. High-energy-milled powders were heat treated at 1000 °C for 10 min to obtain the ThMn12-type structure. Volume fraction of the 1:12 phase was found to be as high as 95.7% with 4.3% of a bcc phase also present. The nitrogenation process of the sample was carried out at 350 °C during 3, 6, 9 and 12 h using a static pressure of 80 kPa of N2. The magnetic properties Mr, µ0Hc, and (BH)max were enhanced after nitrogenation, despite finding some residual nitrogen-free 1:12 phase. The magnetic values of a nitrogenated sample after 3 h were Mr = 75 Am2 kg–1, µ0Hc = 0.500 T and (BH)max = 58 kJ·m–3. Samples were aligned under an applied field of 2 T after washing and were measured in a direction parallel to the applied field. The best value of (BH)max ~ 114 kJ·m–3 was obtained for 3 h and the highest µ0Hc = 0.518 T for 6 h nitrogenation. SEM characterization revealed that the particles have a mean particle size around 360 nm and a rounded shape.
In Vitro Antimicrobial Activity of Lavender, Mint, and Rosemary Essential Oils and the Effect of Their Vapours on Growth of Penicillium spp. in a Bread Model System
Authors: Valková Veronika , Ďúranová Hana , Galovičová Lucia , Vukovic Nenad L. , Vukic Milena , Kačániová Miroslava
Published: June 2021

The chemical composition, antioxidant activity, and antimicrobial properties of three commercially available essential oils: rosemary (REO), lavender (LEO), and mint (MEO), were determined in the current study. Our data revealed that the major components of REO, MEO, and LEO were 1,8-cineole (40.4%), menthol (40.1%), and linalool acetate (35.0%), respectively. The highest DPPH radical-scavenging activity was identified in MEO (36.85 ± 0.49%) among the investigated EOs. Regarding antimicrobial activities, we found that LEO had the strongest inhibitory efficiencies against the growth of Pseudomonas aeruginosa and Candida (C.) tropicalis, MEO against Salmonella (S.) enterica, and REO against Staphylococcus (S.) aureus. The strongest antifungal activity was displayed by mint EO, which totally inhibited the growth of Penicillium (P.) expansum and P. crustosum in all concentrations; the growth of P. citrinum was completely suppressed only by the lowest MEO concentration. The lowest minimal inhibitory concentrations (MICs) against S. enterica, S. aureus, and C. krusei were assessed for MEO. In situ analysis on the bread model showed that 125 µL/L of REO exhibited the lowest mycelial growth inhibition (MGI) of P. citrinum, and 500 µL/L of MEO caused the highest MGI of P. crustosum. Our results allow us to make conclusion that the analysed EOs have promising potential for use as innovative agents in the storage of bakery products in order to extend their shelf-life.
Thymoquinone Loaded Topical Nanoemulgel for Wound Healing: Formulation Design and In-Vivo Evaluation
Authors: Algahtani Mohammed S. , Ahmad Mohammad Zaki , Shaikh Ibrahim Ahmed , Abdel-Wahab Basel A. , Nourein Ihab Hamed , Ahmad Javed
Published: June 2021

Thymoquinone is a natural bioactive with significant therapeutic activity against multiple ailments including wound healing. The poor aqueous solubility and low skin permeability limit its therapeutic efficacy. The present investigation aimed to improve the biopharmaceutical attributes of thymoquinone to enhance its topical efficacy in wound healing. A nanoemulsion-based hydrogel system was designed and characterized as a nanotechnology-mediated drug delivery approach to improve the therapeutic efficacy of thymoquinone, utilizing a high-energy emulsification technique. The black seed oil, as a natural home of thymoquinone, was utilized to improve the drug loading capacity of the developed nanoemulsion system and reduced the oil droplet size to <100 nm through ultrasonication. The influence of formulation composition, and the ultrasonication process conditions, were investigated on the mean globule size and polydispersity index of the generated nanoemulsion. Irrespective of surfactant/co-surfactant ratio and % concentration of surfactant/co-surfactant mixture, the ultrasonication time had a significant (p < 0.05) influence on the mean droplet size and polydispersity index of the generated nanoemulsion. The developed nanoemulgel system of thymoquinone demonstrated the pseudoplastic behavior with thixotropic properties, and this behavior is desirable for topical application. The nanoemulgel system of thymoquinone exhibited significant enhancement (p < 0.05) in skin penetrability and deposition characteristics after topical administration compared to the conventional hydrogel system. The developed nanoemulgel system of thymoquinone exhibited quicker and early healing in wounded Wistar rats compared to the conventional hydrogel of thymoquinone, while showing comparable healing efficacy with respect to marketed silver sulfadiazine (1%) cream. Furthermore, histopathology analysis of animals treated with a developed formulation system demonstrated the formation of the thick epidermal layer, papillary dermis along with the presence of extensive and organized collagen fibers in newly healed tissues. The outcome of this investigation signifies that topical delivery of thymoquinone through nanoemulgel system is a promising candidate which accelerates the process of wound healing in preclinical study.
Effect of De-Twinning on Tensile Strength of Nano-Twinned Cu Films
Authors: Lee Chia-Hung , Lin Erh-Ju , Wang Jyun-Yang , Lin Yi-Xuan , Wu Chen-Yu , Chiu Chung-Yu , Yeh Ching-Yu , Huang Bo-Rong , Fu Kuan-Lin , Liu Cheng-Yi
Published: June 2021

Tensile tests were carried on the electroplated Cu films with various densities of twin grain boundary. With TEM images and a selected area diffraction pattern, nano-twinned structure can be observed and defined in the electroplated Cu films. The density of the nano-twin grain structure can be manipulated with the concentration of gelatin in the Cu-sulfate electrolyte solution. We found that the strength of the Cu films is highly related to the twin-boundary density. The Cu film with a greater twin-boundary density has a larger fracture strength than the Cu film with a lesser twin-boundary density. After tensile tests, necking phenomenon (about 20 μm) occurred in the fractured Cu films. Moreover, by focused ion beam (FIB) cross-sectional analysis, the de-twinning can be observed in the region where necking begins. Thus, we believe that the de-twinning of the nano-twinned structure initiates the plastic deformation of the nano-twinned Cu films. Furthermore, with the analysis of the TEM images on the nano-twinned structure in the necking region of the fractured Cu films, the de-twinning mechanism attributes to two processes: (1) the ledge formation by the engagement of the dislocations with the twin boundaries and (2) the collapse of the ledges with the opposite twin-boundaries. In conclusion, the plastic deformation of nano-twinned Cu films is governed by the de-twinning of the nano-twinned structure. Moreover, the fracture strength of the nano-twinned Cu films is proportional to the twin-boundaries density.
Renewable Hydrocarbon Production from Waste Cottonseed Oil Pyrolysis and Catalytic Upgrading of Vapors with Mo-Co and Mo-Ni Catalysts Supported on γ-Al2O3
Authors: Melo Josué Alves , de Sá Mirele Santana , Moral Ainara , Bimbela Fernando , Gandía Luis M. , Wisniewski Alberto
Published: June 2021

In this work, the production of renewable hydrocarbons was explored by the means of waste cottonseed oil (WCSO) micropyrolysis at 500 °C. Catalytic upgrading of the pyrolysis vapors was studied using α-Al2O3, γ-Al2O3, Mo-Co/γ-Al2O3, and Mo-Ni/γ-Al2O3 catalysts. The oxygen removal efficiency was much lower in non-catalytic pyrolysis (18.0%), whilst γ-Al2O3 yielded a very high oxygen removal efficiency (91.8%), similar to that obtained with Mo-Co/γ-Al2O3 (92.8%) and higher than that attained with Mo-Ni/γ-Al2O3 (82.0%). Higher conversion yields into total renewable hydrocarbons were obtained with Mo-Co/γ-Al2O3 (61.9 wt.%) in comparison to Mo-Ni/γ-Al2O3 (46.6%). GC/MS analyses showed a relative chemical composition of 31.3, 86.4, and 92.6% of total renewable hydrocarbons and 58.7, 7.2, and 4.2% of oxygenated compounds for non-catalytic bio-oil (BOWCSO), BOMoNi and BOMoCo, respectively. The renewable hydrocarbons that were derived from BOMoNi and BOMoCo were mainly composed by olefins (35.3 and 33.4%), aromatics (31.4 and 28.9%), and paraffins (13.8 and 25.7%). The results revealed the catalysts’ effectiveness in FFA decarbonylation and decarboxylation, as evidenced by significant changes in the van Krevelen space, with the lowest O/C ratio values for BOMoCo and BOMoNi (O/C = 0–0.10) in relation to the BOWCSO (O/C = 0.10–0.20), and by a decrease in the presence of oxygenated compounds in the catalytic bio-oils.
Optical Control of Superlattices States Formed Due to Electronic Phase Separation in Multiferroic Eu0.8Ce0.2Mn2O5
Authors: Sanina Viktoriya , Khannanov Boris , Golovenchits Evgenii
Published: June 2021

The effect of optical pumping and magnetic field on properties of the electronic phase separation regions, which are the multiferroic semiconductor heterostructures in the form of superlattices, have been studied in Eu0.8Ce0.2Mn2O5. These superlattices are formed due to self-organization in a dielectric crystal matrix as a result of the competing internal interactions balance and occupy a small crystal volume. The dynamical equilibrium states of superlattices are initially formed during cycling of as-grown samples in a magnetic field. The superlattices in such states are ferromagnetic and electrically neutral. Sets of ferromagnetic resonances were observed from individual layers of superlattices. Their features give rise information on properties of these layers and of a superlattice as a whole. The differences in the parameters of these resonances were due to different distributions of Mn3+ and Mn4+ ions in individual superlattices layers. It has been found that optical pumping having different powers allows us to control of multiferroic properties of superlattices layers by changing their magnetic and electric properties. It is shown that, under certain conditions, it is possible to significantly increase the temperatures at which multiferroic heterostructures exist.
Heparan Sulfate Binding Cationic Peptides Restrict SARS-CoV-2 Entry
Authors: Suryawanshi Rahul , Patil Chandrashekhar , Koganti Raghuram , Singh Sudhanshu , Ames Joshua , Shukla Deepak
Published: June 2021

A novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused a global pandemic. While the world is striving for a treatment modality against SARS-CoV-2, our understanding about the virus entry mechanisms may help to design entry inhibitors, which may help to limit the virus spreading. Owing to the importance of cellular ACE2 and heparan sulfate in SARS-CoV-2 entry, we aimed to evaluate the efficacy of cationic G1 and G2 peptides in virus entry inhibition. In silico binding affinity studies revealed possible binding sites of G1 and G2 peptides on HS and ACE2, which are required for the spike–HS and spike–ACE2 interactions. Prophylactic treatment of G1 and G2 peptide was also proved to decrease the cell surface HS, an essential virus entry receptor. With these two mechanisms we confirm the possible use of cationic peptides to inhibit the entry of SARS-CoV-2.
Single-Agent and Fixed-Dose Combination HIV-1 Protease Inhibitor Drugs in Fission Yeast (Schizosaccharomyces pombe)
Authors: Zhang Jiantao , Vernon Kasey , Li Qi , Benko Zsigmond , Amoroso Anthony , Nasr Mohamed , Zhao Richard Y.
Published: June 2021

Successful combination antiretroviral therapies (cART) eliminate active replicating HIV-1, slow down disease progression, and prolong lives. However, cART effectiveness could be compromised by the emergence of viral multidrug resistance, suggesting the need for new drug discoveries. The objective of this study was to further demonstrate the utility of the fission yeast cell-based systems that we developed previously for the discovery and testing of HIV protease (PR) inhibitors (PIs) against wild-type or multi-PI drug resistant M11PR that we isolated from an infected individual. All thirteen FDA-approved single-agent and fixed-dose combination HIV PI drugs were tested. The effect of these drugs on HIV PR activities was tested in pure compounds or formulation drugs. All FDA-approved PI drugs, except for a prodrug FPV, were able to suppress the wild-type PR-induced cellular and enzymatic activities. Relative drug potencies measured by EC50 in fission yeast were discussed in comparison with those measured in human cells. In contrast, none of the FDA-approved drugs suppressed the multi-PI drug resistant M11PR activities. Results of this study show that fission yeast is a reliable cell-based system for the discovery and testing of HIV PIs and further demonstrate the need for new PI drugs against viral multi-PI resistance.
Transferring Key Success Factors from Ambulatory Care into the Community Pharmacy in the United States
Authors: Luli Alex J. , Awdishu Linda , Hirsch Jan D. , Watanabe Jonathan H. , Bounthavong Mark , Morello Candis M.
Published: June 2021

In the United States, pharmacists’ scope of practice continues to expand, with increasing opportunities for pharmacists in all practice settings to enhance health in society. In ambulatory care, pharmacists remain integral members on the healthcare team and have demonstrated positive impacts on patient care. Sharing similar characteristics as pharmacists in the community setting, a deeper look into common elements of a successful ambulatory care practice that can be applied in the community pharmacy setting is warranted. Key success factors identified from ambulatory care include (1) maximizing a pharmacist’s unique knowledge base and skill set, (2) forming collaborations with physicians and other providers, (3) demonstrating outcomes and value, and (4) maintaining sustainability. Opportunities exist for pharmacists in the community setting to utilize these success factors when developing, implementing, and/or expanding direct patient care services that improve accessibility to quality care and population health.
Metabolite and Elastase Activity Changes in Beach Rose (Rosa rugosa) Fruit and Seeds at Various Stages of Ripeness
Authors: Chae Seung-Hun , Lee Young-Sang , Kim Jin-Hee , Han Tae-Ho , Ku Kang-Mo
Published: June 2021

Rose hips are the fruits of the beach rose (Rosa rugosa). To determine the optimal harvest time and to obtain the maximum functional compounds, rose hips at various stages of ripeness (immature, early, mid, and late) were harvested, and the flesh tissue and seeds were separated. The rose hip flesh showed the highest total phenolic content at the mid-ripeness stage (8.45 ± 0.62 mg/g gallic acid equivalent concentration (dry weight)). The early-, mid-, and late-ripeness stages of rose hip flesh did not show significantly different 2,2-diphenyl-1-picrylhydrazyl antioxidant capacities. The elastase inhibitory activity of the 95% ethanol extract from the rose hip seeds was highest at the mid-ripeness stage; however, the elastase inhibitory activity of the rose hip tissue was not significantly different from that of the seeds. Pathway analysis using MetaboAnalyst showed that sucrose, fructose, and glucose gradually increased as the fruit ripened. Ursolic acid was detected in the seeds but not in the flesh. Of the fatty acids, linoleic acid concentrations were highest in rose hip seeds, followed by linolenic acid, oleic acid, and palmitic acid. Fatty acids and ursolic acid might be the active compounds responsible for elastase inhibitory activity and can be utilized as a functional cosmetic material.
Effect of Natural Aging on Oak Wood Fire Resistance
Authors: Zachar Martin , Čabalová Iveta , Kačíková Danica , Jurczyková Tereza
Published: June 2021

The paper deals with the assessment of the age of oak wood (0, 10, 40, 80 and 120 years) on its fire resistance. Chemical composition of wood (extractives, cellulose, holocellulose, lignin) was determined by wet chemistry methods and elementary analysis was performed according to ISO standards. From the fire-technical properties, the flame ignition and the spontaneous ignition temperature (including calculated activation energy) and mass burning rate were evaluated. The lignin content does not change, the content of extractives and cellulose is higher and the content of holocellulose decreases with the higher age of wood. The elementary analysis shows the lowest proportion content of nitrogen, sulfur, phosphor and the highest content of carbon in the oldest wood. Values of flame ignition and spontaneous ignition temperature for individual samples were very similar. The activation energy ranged from 42.4 kJ·mol−1 (120-year-old) to 50.7 kJ·mol−1 (40-year-old), and the burning rate varied from 0.2992%·s−1 (80-year-old) to 0.4965%·s−1 (10-year-old). The difference among the values of spontaneous ignition activation energy is clear evidence of higher resistance to initiation of older wood (40- and 80-year-old) in comparison with the younger oak wood (0- and 10-year-old). The oldest sample is the least thermally resistant due to the different chemical composition compared to the younger wood.