bluuebunny/crossref_metadata_2025 huggingface dataset:
Antibiotic-Induced Dysbiosis of Microbiota Promotes Chicken Lipogenesis by Altering Metabolomics in the Cecum
Authors: Zhang Tao , Ding Hao , Chen Lan , Lin Yueyue , Gong Yongshuang , Pan Zhiming , Zhang Genxi , Xie Kaizhou , Dai Guojun , Wang Jinyu
Published: July 2021

Elucidation of the mechanism of lipogenesis and fat deposition is essential for controlling excessive fat deposition in chicken. Studies have shown that gut microbiota plays an important role in regulating host lipogenesis and lipid metabolism. However, the function of gut microbiota in the lipogenesis of chicken and their relevant mechanisms are poorly understood. In the present study, the gut microbiota of chicken was depleted by oral antibiotics. Changes in cecal microbiota and metabolomics were detected by 16S rRNA sequencing and ultra-high performance liquid chromatography coupled with MS/MS (UHPLC–MS/MS) analysis. The correlation between antibiotic-induced dysbiosis of gut microbiota and metabolites and lipogenesis were analysed. We found that oral antibiotics significantly promoted the lipogenesis of chicken. 16S rRNA sequencing indicated that oral antibiotics significantly reduced the diversity and richness and caused dysbiosis of gut microbiota. Specifically, the abundance of Proteobacteria was increased considerably while the abundances of Bacteroidetes and Firmicutes were significantly decreased. At the genus level, the abundances of genera Escherichia-Shigella and Klebsiella were significantly increased while the abundances of 12 genera were significantly decreased, including Bacteroides. UHPLC-MS/MS analysis showed that antibiotic-induced dysbiosis of gut microbiota significantly altered cecal metabolomics and caused declines in abundance of 799 metabolites and increases in abundance of 945 metabolites. Microbiota-metabolite network revealed significant correlations between 4 differential phyla and 244 differential metabolites as well as 15 differential genera and 304 differential metabolites. Three metabolites of l-glutamic acid, pantothenate acid and N-acetyl-l-aspartic acid were identified as potential metabolites that link gut microbiota and lipogenesis in chicken. In conclusion, our results showed that antibiotic-induced dysbiosis of gut microbiota promotes lipogenesis of chicken by altering relevant metabolomics. The efforts in this study laid a basis for further study of the mechanisms that gut microbiota regulates lipogenesis and fat deposition of chicken.
Exploring Genotype-by-Environment Interactions of Chemical Composition of Raspberry by Using a Metabolomics Approach
Authors: Durán-Soria Sara , Pott Delphine , Will Frank , Mesa-Marín Jennifer , Lewandowski Mariusz , Celejewska Karolina , Masny Agnieszka , Żurawicz Edward , Jennings Nikki , Sønsteby Anita , Krüger Erika , Osorio Sonia
Published: July 2021

Promoting the consumption of fruits is a key objective of nutrition policy campaigns due to their associated health benefits. Raspberries are well appreciated for their remarkable flavor and nutritional value attributable to their antioxidant properties. Consequently, one of the objectives of present-day raspberry breeding programs is to improve the fruit’s sensory and nutritive characteristics. However, developing new genotypes with enhanced quality traits is a complex task due to the intricate impacts genetic and environmental factors have on these attributes, and the difficulty to phenotype them. We used a multi-platform metabolomic approach to compare flavor- and nutritional-related metabolite profiles of four raspberry cultivars (‘Glen Ample’, ‘Schönemann’, ‘Tulameen’ and ‘Veten’) grown in different European climates. Although the cultivars appear to be better adapted to high latitudes, for their content in soluble solids and acidity, multivariate statistical analyses allowed us to underscore important genotypic differences based on the profiles of important metabolites. ‘Schönemann’ and ‘Veten’ were characterized by high levels of anthocyanins and ellagitannins, respectively, ‘Tulameen’ by its acidity, and ‘Glen Ample’ for its content of sucrose and β-ionone, two main flavor contributors. Our results confirmed the value of metabolomic-driven approaches, which may foster the development of cultivars with enhanced health properties and flavor.
Modelling hCDKL5 Heterologous Expression in Bacteria
Authors: Fondi Marco , Gonzi Stefano , Dziurzynski Mikolaj , Turano Paola , Ghini Veronica , Calvanese Marzia , Colarusso Andrea , Lauro Concetta , Parrilli Ermenegilda , Tutino Maria Luisa
Published: July 2021

hCDKL5 refers to the human cyclin-dependent kinase like 5 that is primarily expressed in the brain. Mutations in its coding sequence are often causative of hCDKL5 deficiency disorder, a devastating neurodevelopmental disorder currently lacking a cure. The large-scale recombinant production of hCDKL5 is desirable to boost the translation of preclinical therapeutic approaches into the clinic. However, this is hampered by the intrinsically disordered nature of almost two-thirds of the hCDKL5 sequence, making this region more susceptible to proteolytic attack, and the observed toxicity when the enzyme is accumulated in the cytoplasm of eukaryotic host cells. The bacterium Pseudoalteromonas haloplanktis TAC125 (PhTAC125) is the only prokaryotic host in which the full-length production of hCDKL5 has been demonstrated. To date, a system-level understanding of the metabolic burden imposed by hCDKL5 production is missing, although it would be crucial for upscaling of the production process. Here, we combined experimental data on protein production and nutrients assimilation with metabolic modelling to infer the global consequences of hCDKL5 production in PhTAC125 and to identify potential overproduction targets. Our analyses showed a remarkable accuracy of the model in simulating the recombinant strain phenotype and also identified priority targets for optimised protein production.
Multilayer Thin-Film Optical Filters for Reflectance-Based Malaria Diagnostics
Authors: Costa Mariana S. , Baptista Vitória , Ferreira Gabriel M. , Lima Duarte , Minas Graça , Veiga Maria Isabel , Catarino Susana O.
Published: July 2021

Malaria diagnosis relies on optical microscopy and/or rapid diagnostic tests based on detecting specific malaria antigens. The clinical sensitivity of these methods is highly dependent on parasite density, with low levels of detection at low parasite density, challenging the worldwide malaria elimination efforts. Therefore, there is a need for diagnostic methods with higher sensitivity, demanding innovative diagnostics devices able to detect malaria at low parasite density and at early stages of the disease. We propose an innovative optical device for malaria diagnosis, based on optical reflectance spectrophotometry, for the detection of parasites through the quantification of haemozoin. For this purpose, a set of eight thin-film optical filters, based on multilayer stacks of MgO/TiO2 and SiO2/TiO2 thin-films, with high transmittance and low full width at half maximum (FWHM) at specific wavelengths, was designed and fully characterized (both numerically and experimentally). A preliminary assessment of its potential to reconstruct the original spectra of red blood cells was performed, both in uninfected and Plasmodium falciparum-infected samples. The obtained results show that, although the experimental filters have a non-ideal performance characteristic, they allow us to distinguish, based on only 8 discrete points in the optical spectrum, between healthy and malaria infected samples, up to a detection limit of 12 parasites/μL of red blood cells. Those results enhance the potential of using such a device for malaria diagnostics, aiming for non-invasiveness.
Recent Developments in Enteric Bacterial Vaccines
Authors: Rijpkema Sjoerd , Bolgiano Barbara
Published: July 2021

In this issue, we present promising developments in the field of bacterial enteric vaccines [...]
A Systematic Review on the Application of Machine Learning in Exploiting Mineralogical Data in Mining and Mineral Industry
Authors: Jooshaki Mohammad , Nad Alona , Michaux Simon
Published: July 2021

Machine learning is a subcategory of artificial intelligence, which aims to make computers capable of solving complex problems without being explicitly programmed. Availability of large datasets, development of effective algorithms, and access to the powerful computers have resulted in the unprecedented success of machine learning in recent years. This powerful tool has been employed in a plethora of science and engineering domains including mining and minerals industry. Considering the ever-increasing global demand for raw materials, complexities of the geological structure of ore deposits, and decreasing ore grade, high-quality and extensive mineralogical information is required. Comprehensive analyses of such invaluable information call for advanced and powerful techniques including machine learning. This paper presents a systematic review of the efforts that have been dedicated to the development of machine learning-based solutions for better utilizing mineralogical data in mining and mineral studies. To that end, we investigate the main reasons behind the superiority of machine learning in the relevant literature, machine learning algorithms that have been deployed, input data, concerned outputs, as well as the general trends in the subject area.
Safety Analysis of Synergetic Operation of Backfilling the Open Pit Using Tailings and Excavating the Ore Deposit Underground
Authors: Zhang Qinli , Zhang Bingyi , Chen Qiusong , Wang Daolin , Gao Xiang
Published: July 2021

The transition from open pit mining to underground mining is essential for mineral resources to achieve deep excavation. Recently, cemented paste backfill (CPB) has been proposed as a novel technology to achieve open pit backfill (OPB). The proposed method not only eliminates the danger of the open-pit slope but also reduces the disposal of waste tailings. In order to ensure safe mining during the synergetic operation of OPB and underground mining, it is of great significance to improve this technology. In the present study, an open-pit metal mine in Anhui Province was taken as the research object. Then, the safety of underground stope roofs, underground backfill pillars, and open-pit slopes was evaluated during OPB. To this end, numerical simulations were performed and experiments were conducted on a similar physical model. Accordingly, the backfill mechanical parameters were optimized. The obtained results show that backfill height exerts the most significant effect on the safety of roofs and underground backfill pillars, accompanied by small displacements along the vertical direction during the backfill process. Moreover, concentration was observed at the foot of the slope, while the overall structure remained stable with no considerable displacement. The overall safety factors met the safety requirements. Based on the obtained results, the optimal foundation strength, foundation height, backfill strength and backfill height were 4 MPa, 10 m, 1.5 MPa, and 120 m, respectively. Moreover, it was concluded that displacements in the abovementioned three regions tend to be stable when the backfill height exceeds 150 m without damage. The present article provides a certain theoretical and application guideline for OPB practices in similar metal mines and suggests possibilities for cleaner production.
Chemical Characteristics of Ore-Bearing Intrusions and the Origin of PGE–Cu–Ni Mineralization in the Norilsk Area
Authors: Krivolutskaya Nadezhda , Makvandi Sheida , Gongalsky Bronislav , Kubrakova Irina , Svirskaya Natalia
Published: July 2021

The composition of the parental magmas of Cu–Ni deposits is crucial for the elucidation of their genesis. In order to estimate the role of magma in ore formation, it is necessary to compare the compositions of silicate rock intrusions with different mineralization patterns, as observed in the Norilsk region. The rock geochemistry of two massifs located in the same Devonian carbonate rocks—the Kharaelakh intrusion, with its world-class platinum-group element (PGE)–Cu–Ni deposit, and the Pyasinsky-Vologochansky intrusion, with its large deposit—was studied. Along with these massifs, the Norilsk 2 massif with noneconomic mineralization intruded in the Ivakinskaya-Nadezhdinskaya basalts was studied as well. Their settings allow the estimation of the parental magma composition, taking into account the possible assimilation of host rocks. Analyses of 39 elements in 97 samples demonstrated the similarity of the intrusions in terms of their major components. The Pyasinsky-Vologochansky intrusion contains the highest trace element contents compared with the Kharaelakh and Norilsk 2 massifs, evidencing its crystallization from evolved parental magma. No influence of host rocks on the silicate rock compositions was found, except for narrow (1–2 m) endo-contact zones. There is no correlation between the mineralization volume and the rock compositions of the studied intrusions. It is assumed that the intrusions were formed from one magma crustal source irregularly rich in sulfur (S). This source inhomogeneity in terms of the sulfur distribution resulted in deposits of varying sizes. The magmas served as a transporting agent for sulfides from deep zones to the surface.
Processing of Sulfide Copper-Nickel Ores from the Deposits in Murmansk Region by Heap Leaching
Authors: Yanishevskya Elena , Fokina Nadezhda , Selivanova Ekaterina , Kompanchenko Alena , Makarov Dmitriy , Goryachev Andrey
Published: July 2021

The feasibility of processing low-grade copper-nickel ores by heap bioleaching was investigated. It was found that an iron-oxidizing strain of acidophilic microorganisms, Acidithiobacillus ferrivorans, is effective in the leaching of sulfide ores from the deposits in Russia’s Murmansk region. Sulfide mineralization of the studied mineral feeds was described using the methods of X-ray phase analysis and optical microscopy. In the process of leaching, the pH and Eh values and the concentrations of ferric and ferrous iron, nickel, and copper ions were monitored. By the end of the experiment, 16.5% of nickel and 7.5% of copper was recovered from the ore of the Allarechensk technogenic deposit, while 22.5% of nickel and 12.7% copper were recovered from the ore of the Nud II deposit. By silicate analysis of the solid phase, patterns of ore chemistry change were described during the process of bioleaching.
Factors That Determine the Sorption of Mineral Elements in Soils and Their Impact on Soil and Water Pollution
Authors: Nortjé Gerhardus Petrus , Laker Michiel Christiaan
Published: July 2021

Soil is an essential ecosystem, delivering valuable services such as the provision of food, energy and raw materials, carbon sequestration, water purification and infiltration, nutrient regulation, pest control and recreation. Therefore, soil is crucial for fighting climate change, protecting human health, safeguarding biodiversity and ecosystems and ensuring food security. Pollution of the soil by organic and inorganic substances is, therefore, detrimental to ecosystem services and/or human health. Heavy metals at harmful concentrations are highly detrimental, and here, mining activities are one of the main sources of soil pollution. According to studies conducted, some of the major soil factors affecting mineral (including P) sorption are time, soil pH, soil organic matter and iron and aluminum oxides of soils. This paper looks at sources of mineral element pollution, including heavy metals, as heavy metals are toxic to all living organisms, including humans. This paper also reviews both cationic heavy metals and inorganic anionic pollutants, such as phosphate and arsenic, as well as cationic, non-heavy-metal pollutants such as nitrogen and potassium.
Macrocyclic Tetramers—Structural Investigation of Peptide-Peptoid Hybrids
Authors: Herlan Claudine Nicole , Sonnefeld Anna , Gloge Thomas , Brückel Julian , Schlee Luisa Chiara , Muhle-Goll Claudia , Nieger Martin , Bräse Stefan
Published: July 2021

Outstanding affinity and specificity are the main characteristics of peptides, rendering them interesting compounds for basic and medicinal research. However, their biological applicability is limited due to fast proteolytic degradation. The use of mimetic peptoids overcomes this disadvantage, though they lack stereochemical information at the α-carbon. Hybrids composed of amino acids and peptoid monomers combine the unique properties of both parent classes. Rigidification of the backbone increases the affinity towards various targets. However, only little is known about the spatial structure of such constrained hybrids. The determination of the three-dimensional structure is a key step for the identification of new targets as well as the rational design of bioactive compounds. Herein, we report the synthesis and the structural elucidation of novel tetrameric macrocycles. Measurements were taken in solid and solution states with the help of X-ray scattering and NMR spectroscopy. The investigations made will help to find diverse applications for this new, promising compound class.
Preparation of Antiproliferative Terpene-Alkaloid Hybrids by Free Radical-Mediated Modification of ent-Kauranic Derivatives
Authors: Pruteanu Elena , Gîrbu Vladilena , Ungur Nicon , Persoons Leentje , Daelemans Dirk , Renaud Philippe , Kulcițki Veaceslav
Published: July 2021

A convenient strategy for molecular editing of available ent-kauranic natural scaffolds has been developed based on radical mediated C–C bond formation. Iodine atom transfer radical addition (ATRA) followed by rapid ionic elimination and radical azidoalkylation were investigated. Both reactions involve radical addition to the exo-methylenic double bond of the parent substrate. Easy transformations of the obtained adducts lead to extended diterpenes of broad structural diversity and artificial diterpene-alkaloid hybrids possessing lactam and pyrrolidine pharmacophores. The cytotoxicity of selected diterpenic derivatives was examined by in vitro testing on several tumor cell lines. The terpene-alkaloid hybrids containing N-heterocycles with unprecedented spiro-junction have shown relevant cytotoxicity and promising selectivity indexes. These results represent a solid basis for following research on the synthesis of such derivatives based on available natural product templates.
The Therapeutic Potential of Cannabis in Counteracting Oxidative Stress and Inflammation
Authors: Graczyk Michał , Lewandowska Agata Anna , Dzierżanowski Tomasz
Published: July 2021

Significant growth of interest in cannabis (Cannabis sativa L.), especially its natural anti-inflammatory and antioxidative properties, has been observed recently. This narrative review aimed to present the state of the art of research concerning the anti-inflammatory activity of all classes of cannabinoids published in the last five years. Multimodal properties of cannabinoids include their involvement in immunological processes, anti-inflammatory, and antioxidative effects. Cannabinoids and non-cannabinoid compounds of cannabis proved their anti-inflammatory effects in numerous animal models. The research in humans is missing, and the results are unconvincing. Although preclinical evidence suggests cannabinoids are of value in treating chronic inflammatory diseases, the clinical evidence is scarce, and further well-designed clinical trials are essential to determine the prospects for using cannabinoids in inflammatory conditions.
Effect of Hydrated Ionic Liquid on Photocycle and Dynamics of Photoactive Yellow Protein
Authors: Umezaki Utana , Hatakenaka Miu , Onodera Kana , Mizutani Hiroto , Kim Suhyang , Nakasone Yusuke , Terazima Masahide , Kimura Yoshifumi
Published: July 2021

The mechanism by which proteins are solvated in hydrated ionic liquids remains an open question. Herein, the photoexcitation dynamics of photoactive yellow protein dissolved in hydrated choline dihydrogen phosphate (Hy[ch][dhp]) were studied by transient absorption and transient grating spectroscopy. The photocyclic reaction of the protein in Hy[ch][dhp] was similar to that observed in the buffer solution, as confirmed by transient absorption spectroscopy. However, the structural change of the protein during the photocycle in Hy[ch][dhp] was found to be different from that observed in the buffer solution. The known change in the diffusion coefficient of the protein was apparently suppressed in high concentrations of [ch][dhp], plausibly due to stabilization of the secondary structure.
Experimental and Theoretical Insights on Methylene Blue Removal from Wastewater Using an Adsorbent Obtained from the Residues of the Orange Industry
Authors: Giraldo Stephanie , Robles Irma , Godínez Luis A. , Acelas Nancy , Flórez Elizabeth
Published: July 2021

Chemical and thermochemical transformations were performed on orange peel to obtain materials that were characterized and further tested to explore their potential as adsorbents for the removal of methylene blue (MB) from aqueous solutions. The results show the high potential of some of these materials for MB adsorption not only due to the surface area of the resulting substrate but also to the chemistry of the corresponding surface functional groups. Fitting of the kinetic as well as the equilibrium experimental data to different models suggests that a variety of interactions are involved in MB adsorption. The overall capacities for these substrates (larger than 192.31 mg g−1) were found to compare well with those reported for activated carbon and other adsorbents of agro-industrial origin. According to these results and complementary with theoretical study using Density Functional Theory (DFT) approximations, it was found that the most important adsorption mechanisms of MB correspond to: (i) electrostatic interactions, (ii) H-bonding, and (iii) π (MB)–π (biochar) interactions. In view of these findings, it can be concluded that adsorbent materials obtained from orange peel, constitute a good alternative for the removal of MB dye from aqueous solutions.
Chemical Composition and Cytotoxic Activity of the Essential Oil and Oleoresins of In Vitro Micropropagated Ansellia africana Lindl: A Vulnerable Medicinal Orchid of Africa
Authors: Saleh-E-In Md. Moshfekus , Bhattacharyya Paromik , Van Staden Johannes
Published: July 2021

Orchids are rich treasure troves of various important phytomolecules. Among the various medicinal orchids, Ansellia africana stands out prominently in the preparing of various herbal medicines due to its high therapeutic importance. The nodal explants of A. africana were sampled from asymbiotically germinated seedlings on basal Murashige and Skoog (MS) medium and were micropropagated in MS medium supplemented with 3% sucrose and 10 µM meta topolin (mT) + 5 µM naphthalene acetic acid (NAA) +15 µM indole butyric acid (IBA) + 30 µM phloroglucinol (PG). In the present study, the essential oil was extracted by hydrodistillation and the oleoresins by the solvent extraction method from the micropropagated A. africana. The essential oil and the oleoresins were analysed by Gas Chromatography (GC) and GC/MS (Mass spectrometry). A total of 84 compounds were identified. The most predominant components among them were linoleic acid (18.42%), l-ascorbyl 2,6-dipalmitate (11.50%), linolenic acid (10.98%) and p-cresol (9.99%) in the essential oil; and eicosane (26.34%), n-butyl acetate (21.13%), heptadecane (16.48%) and 2-pentanone, 4-hydroxy-4-methyl (11.13%) were detected in the acetone extract; heptadecane (9.40%), heneicosane (9.45%), eicosane (6.40%), n-butyl acetate (14.34%) and styrene (22.20%) were identified and quantified in the ethyl acetate extract. The cytotoxic activity of essential oil and oleoresins of micropropagated A. africana was evaluated by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium Bromide) assay on Vero cells compared to the standard drug doxorubicin chloride. The present research contains primary information about the therapeutic utility of the essential oil and oleoresins of A. africana with a promising future research potential of qualitative and quantitative improvement through synchronised use of biotechnological techniques.
Dual XH–π Interaction of Hexafluoroisopropanol with Arenes
Authors: Lu Le , Hua Ruimao
Published: July 2021

The dual XH (OH and CH) hydrogen-bond-donating property of 1,1,1,3,3,3-hexafluoroisopropanol (HFIP) and the strong dual XH–π interaction with arenes were firstly disclosed by theoretical studies. Here, the high accuracy post-Hartree–Fock methods, CCSD(T)/CBS, reveal the interaction energy of HFIP/benzene complex (−7.22 kcal/mol) and the contribution of the electronic correlation energy in the total interaction energy. Strong orbital interaction between HFIP and benzene was found by using the DFT method in this work to disclose the dual XH–π intermolecular orbital interaction of HFIP with benzene-forming bonding and antibonding orbitals resulting from the orbital symmetry of HFIP. The density of states and charge decomposition analyses were used to investigate the orbital interactions. Isopropanol (IP), an analogue of HFIP, and chloroform (CHCl3) were studied to compare them with the classical OH–π, and non-classical CH–π interactions. In addition, the influence of the aggregating effect of HFIP, and the numbers of substituted methyl groups in benzene rings were also studied. The interaction energies of HFIP with the selected 24 common organic compounds were calculated to understand the role of HFIP as solvent or additive in organic transformation in a more detailed manner. A single-crystal X-ray diffraction study of hexafluoroisopropyl benzoate further disclosed and confirmed that the CH of HFIP shows the non-classical hydrogen-bond-donating behavior.
A Review on Phytochemicals of the Genus Maytenus and Their Bioactive Studies
Authors: Huang Yuan-Yuan , Chen Lu , Ma Guo-Xu , Xu Xu-Dong , Jia Xue-Gong , Deng Fu-Sheng , Li Xue-Jian , Yuan Jing-Quan
Published: July 2021

The genus Maytenus is a member of the Celastraceae family, of which several species have long been used in traditional medicine. Between 1976 and 2021, nearly 270 new compounds have been isolated and elucidated from the genus Maytenus. Among these, maytansine and its homologues are extremely rare in nature. Owing to its unique skeleton and remarkable bioactivities, maytansine has attracted many synthetic endeavors in order to construct its core structure. In this paper, the current status of the past 45 years of research on Maytenus, with respect to its chemical and biological activities are discussed. The chemical research includes its structural classification into triterpenoids, sesquiterpenes and alkaloids, along with several chemical synthesis methods of maytansine or maytansine fragments. The biological activity research includes activities, such as anti-tumor, anti-bacterial and anti-inflammatory activities, as well as HIV inhibition, which can provide a theoretical basis for the better development and utilization of the Maytenus.
A Natural Alternative Treatment for Urinary Tract Infections: Itxasol©, the Importance of the Formulation
Authors: Cela-López José , Camacho Roldán Claudio , Gómez-Lizarraga Gorka , Martínez Vicente
Published: July 2021

Genito-urinary tract infections have a high incidence in the general population, being more prevalent among women than men. These diseases are usually treated with antibiotics, but very frequently, they are recurrent and lead to the creation of resistance and are associated with increased morbidity and mortality. For this reason, it is necessary to develop new compounds for their treatment. In this work, our objective is to review the characteristics of the compounds of a new formulation called Itxasol© that is prescribed as an adjuvant for the treatment of UTIs and composed of β-arbutin, umbelliferon and n-acetyl cysteine. This formulation, based on biomimetic principles, makes Itxasol© a broad-spectrum antibiotic with bactericidal, bacteriostatic and antifungal properties that is capable of destroying the biofilm and stopping its formation. It also acts as an anti-inflammatory agent, without the adverse effects associated with the recurrent use of antibiotics that leads to renal nephrotoxicity and other side effects. All these characteristics make Itxasol© an ideal candidate for the treatment of UTIs since it behaves like an antibiotic and with better characteristics than other adjuvants, such as D-mannose and cranberry extracts.
Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding
Authors: Sarr Serigne , Pilmé Julien , Montavon Gilles , Le Questel Jean-Yves , Galland Nicolas
Published: July 2021

The nature of halogen-bond interactions was scrutinized from the perspective of astatine, potentially the strongest halogen-bond donor atom. In addition to its remarkable electronic properties (e.g., its higher aromaticity compared to benzene), C6At6 can be involved as a halogen-bond donor and acceptor. Two-component relativistic calculations and quantum chemical topology analyses were performed on C6At6 and its complexes as well as on their iodinated analogues for comparative purposes. The relativistic spin–orbit interaction was used as a tool to disclose the bonding patterns and the mechanisms that contribute to halogen-bond interactions. Despite the stronger polarizability of astatine, halogen bonds formed by C6At6 can be comparable or weaker than those of C6I6. This unexpected finding comes from the charge-shift bonding character of the C–At bonds. Because charge-shift bonding is connected to the Pauli repulsion between the bonding σ electrons and the σ lone-pair of astatine, it weakens the astatine electrophilicity at its σ-hole (reducing the charge transfer contribution to halogen bonding). These two antinomic characters, charge-shift bonding and halogen bonding, can result in weaker At-mediated interactions than their iodinated counterparts.
Polymeric Microfiltration Membranes Modification by Supercritical Solvent Impregnation—Potential Application in Open Surgical Wound Ventilation
Authors: Nowak Mariusz , Misic Dusan , Trusek Anna , Zizovic Irena
Published: July 2021

This study investigated supercritical solvent impregnation of polyamide microfiltration membranes with carvacrol and the potential application of the modified membranes in ventilation of open surgical wounds. The impregnation process was conducted in batch mode at a temperature of 40 °C under pressures of 10, 15, and 20 MPa for contact times from 1 to 6 h. FTIR was applied to confirm the presence of carvacrol on the membrane surface. In the next step, the impact of the modification on the membrane structure was studied using scanning electron and ion beam microscopy and cross-filtration tests. Further, the release of carvacrol in carbon dioxide was determined, and finally, an open thoracic cavity model was applied to evaluate the efficiency of carvacrol-loaded membranes in contamination prevention. Carvacrol loadings of up to 43 wt.% were obtained under the selected operating conditions. The swelling effect was detectable. However, its impact on membrane functionality was minor. An average of 18.3 µg of carvacrol was released from membranes per liter of carbon dioxide for the flow of interest. Membranes with 30–34 wt.% carvacrol were efficient in the open thoracic cavity model applied, reducing the contamination levels by 27% compared to insufflation with standard membranes.
Nonlocal Analysis of the Flexural–Torsional Stability for FG Tapered Thin-Walled Beam-Columns
Authors: Soltani Masoumeh , Atoufi Farzaneh , Mohri Foudil , Dimitri Rossana , Tornabene Francesco
Published: July 2021

This paper addresses the flexural–torsional stability of functionally graded (FG) nonlocal thin-walled beam-columns with a tapered I-section. The material composition is assumed to vary continuously in the longitudinal direction based on a power-law distribution. Possible small-scale effects are included within the formulation according to the Eringen nonlocal elasticity assumptions. The stability equations of the problem and the associated boundary conditions are derived based on the Vlasov thin-walled beam theory and energy method, accounting for the coupled interaction between axial and bending forces. The coupled equilibrium equations are solved numerically by means of the differential quadrature method (DQM) to determine the flexural–torsional buckling loads associated to the selected structural system. A parametric study is performed to check for the influence of some meaningful input parameters, such as the power-law index, the nonlocal parameter, the axial load eccentricity, the mode number and the tapering ratio, on the flexural–torsional buckling load of tapered thin-walled FG nanobeam-columns, whose results could be used as valid benchmarks for further computational validations of similar nanosystems.
Environmental Hazards of Boron and Vanadium Nanoparticles in the Terrestrial Ecosystem—A Case Study with Enchytraeus crypticus
Authors: Barreto Angela , Santos Joana , Amorim Mónica J. B. , Maria Vera L.
Published: July 2021

From the start of the 21st century, nanoecotoxicological research has been growing in fast steps due to the need to evaluate the safety of the increasing use of engineered nanomaterials. Boron (B) and vanadium (V) nanoparticles (NPs) generated by anthropogenic activities are subsequently released in the environment; therefore, organisms can be continuously exposed to these NPs for short or long periods. However, the short and long-term effects of BNPs and VNPs on soil organisms are unknown. This work aimed to recognize and describe their potential toxicological effects on the model species Enchytraeus crypticus, assessing survival and reproduction, through a longer-term exposure (56 days (d)—OECD test extension of 28 d), and avoidance behavior, through a short-term exposure (48 hours (h)). After 28 d, BNPs did not induce a significant effect on E. crypticus survival, whereas they decreased the organisms’ reproduction at 500 mg/kg. From 10 to 500 mg/kg, VNPs decreased the E. crypticus survival and/or reproduction. After 56 d, 100 to 500 mg/kg BNPs and 50 to 500 mg/kg VNPs, decreased the reproduction output of E. crypticus. The estimated Effect Concentrations (ECx) based on reproduction, for BNPs, were lower at 56 d compared with 28 d; for VNPs, an opposite pattern was found: ECx 28 d < ECx 56 d. BNPs did not induce an avoidance behavior, but organisms avoided the soil contaminated with 10 mg VNPs/kg. The tested NPs showed different E. crypticus apical effects at 28 d from the ones detected at 56 d, dependent on the type of NPs (B vs. V). In general, VNPs showed to be more toxic than BNPs. However, the effects of VNPs were alleviated during the time of exposure, contrarily to BNPs (which became more toxic with extended duration). The present study adds important information about NPs toxicity with ecological significance (at the population level). Including long-term effects, the obtained results contributes to the improvement of NPs risk assessment.
Controlled Release of the α-Tocopherol-Derived Metabolite α-13′-Carboxychromanol from Bacterial Nanocellulose Wound Cover Improves Wound Healing
Authors: Hoff Jessica , Karl Berit , Gerstmeier Jana , Beekmann Uwe , Schmölz Lisa , Börner Friedemann , Kralisch Dana , Bauer Michael , Werz Oliver , Fischer Dagmar , Lorkowski Stefan , Press Adrian T.
Published: July 2021

Inflammation is a hallmark of tissue remodeling during wound healing. The inflammatory response to wounds is tightly controlled and well-coordinated; dysregulation compromises wound healing and causes persistent inflammation. Topical application of natural anti-inflammatory products may improve wound healing, in particular under chronic pathological conditions. The long-chain metabolites of vitamin E (LCM) are bioactive molecules that mediate cellular effects via oxidative stress signaling as well as anti-inflammatory pathways. However, the effect of LCM on wound healing has not been investigated. We administered the α-tocopherol-derived LCMs α-13′-hydroxychromanol (α-13′-OH) and α-13′-carboxychromanol (α-13′-COOH) as well as the natural product garcinoic acid, a δ-tocotrienol derivative, in different pharmaceutical formulations directly to wounds using a splinted wound mouse model to investigate their effects on the wounds’ proinflammatory microenvironment and wound healing. Garcinoic acid and, in particular, α-13′-COOH accelerated wound healing and quality of the newly formed tissue. We next loaded bacterial nanocellulose (BNC), a valuable nanomaterial used as a wound dressing with high potential for drug delivery, with α-13′-COOH. The controlled release of α-13′-COOH using BNC promoted wound healing and wound closure, mainly when a diabetic condition was induced before the injury. This study highlights the potential of α-13′-COOH combined with BNC as a potential active wound dressing for the advanced therapy of skin injuries.
One-Dimensional Topological Photonic Crystal Mirror Heterostructure for Sensing
Authors: Elshahat Sayed , Abood Israa , Esmail Mohamed Saleh M. , Ouyang Zhengbiao , Lu Cuicui
Published: July 2021

A paradigm for high-quality factor (Q) with a substantial fulfillment for appraising sensing ability and performance has been investigated. Through constructing a 1D (one-dimensional) topological photonic crystal (PhC) mirror heterostructure, which is formed by the image view of 1D topological PhC stacking with its original one. In the 1D topological PhC-mirror heterostructure, there is an interesting mode that appeared with the symmetric, typical Lorentzian-line shape with 100% transmittance in the topological mirror edge-state mode (hybrid resonance mode) at the heterostructure interface. Physically, such a mode is a defect mode, but the defect is introduced through topological operations. The high Q-factor of 5.08 × 104 is obtained due to the strong optical localization of the defect mode at the topological edge area. Consequently, this device acts as a narrow passband filter. Moreover, due to the narrow bandpass property, it may be an advantageous reference for many applications in filtering, switching, and sensing. Thus, introducing an electro-optical (EO) polymer layer at the interface to modify the edge defect can tune the defect mode both in frequency and Q-factor for higher spatial pulse compression and higher EO sensitivity. Accordingly, the Q-factor of 105, the sensitivity of 616 nm/RIU, and the figure of merit of 49,677.42 RIU−1 are obtained. The sensing ability and performance are attributable to the strong optical localization in the interface region and enhanced light-matter interaction. We predict that the 1D topological PhC mirror heterostructure will be an outstanding point in the field of optical sensing, filters, and optical switching in different fields.
Titanium Dioxide Induces Apoptosis under UVA Irradiation via the Generation of Lysosomal Membrane Permeabilization-Dependent Reactive Oxygen Species in HaCat Cells
Authors: Kim In Young , Lee Tae Geol , Reipa Vytas , Heo Min Beom
Published: July 2021

Titanium dioxide nanoparticles (TiO2 NPs) have wide commercial applications, owing to their small size; however, the biosafety of TiO2 NPs should be evaluated further. In this study, we aimed to investigate the cytotoxicity of TiO2 NPs in the presence and absence of ultraviolet A (UVA) irradiation in human keratinocyte HaCaT cells. TiO2 NPs did not significantly affect cell viability in the absence of UVA irradiation. Nonetheless, UVA-irradiated TiO2 NPs induced caspase-dependent apoptosis of HaCaT cells. Exposure of HaCaT cells to TiO2 NPs and UVA resulted in reactive oxygen species (ROS) generation and lysosomal membrane permeabilization (LMP); both effects were not observed in the absence of UVA irradiation. An analysis of the relationship between LMP and ROS, using CA-074 as a cathepsin inhibitor or NAC as an antioxidant, showed that LMP stimulates ROS generation under these conditions. These results imply that LMP-dependent oxidative stress plays a critical role in the UVA phototoxicity of TiO2 NPs in HaCaT cells.
Nanoliposomal Delivery of MicroRNA-203 Suppresses Migration of Triple-Negative Breast Cancer through Distinct Target Suppression
Authors: Song Shuxuan , Johnson Kelsey S. , Lujan Henry , Pradhan Sahar H. , Sayes Christie M. , Taube Joseph H.
Published: July 2021

Triple-negative breast cancers affect thousands of women in the United States and disproportionately drive mortality from breast cancer. MicroRNAs are small, non-coding RNAs that negatively regulate gene expression post-transcriptionally by inhibiting target mRNA translation or by promoting mRNA degradation. We have identified that miRNA-203, silenced by epithelial–mesenchymal transition (EMT), is a tumor suppressor and can promote differentiation of breast cancer stem cells. In this study, we tested the ability of liposomal delivery of miR-203 to reverse aspects of breast cancer pathogenesis using breast cancer and EMT cell lines. We show that translationally relevant methods for increasing miR-203 abundance within a target tissue affects cellular properties associated with cancer progression. While stable miR-203 expression suppresses LASP1 and survivin, nanoliposomal delivery suppresses BMI1, indicating that suppression of distinct mRNA target profiles can lead to loss of cancer cell migration.
Norovirus Persistence in Oysters to Prolonged Commercial Purification
Authors: Battistini Roberta , Masotti Chiara , Listorti Valeria , Suffredini Elisabetta , Maurella Cristiana , Garcia-Vozmediano Aitor , Costa Erica , Iacona Francesco , Orlandi Mino , Ercolini Carlo , Serracca Laura
Published: July 2021

Depuration is generally the main treatment employed for bivalve mollusks harvested from contaminated sites. Commercial depuration has demonstrated to be effective for removal of bacterial pathogens, although it probably provides only limited efficacy against human enteric viruses. We evaluated the quantitative reduction of norovirus (NoV) genogroups I and II in naturally contaminated oysters after 1, 4, and 9 days of depuration. The process was conducted in an authorized depuration plant, and NoV concentration was determined by RT-qPCR according to ISO 15216-1:2017 method. Regardless of the NoV genogroup, our results showed no significant reduction in NoV concentration after 1 day of depuration. Higher mean reduction (68%) was obtained after 4 days of treatment, while no further increase was observed after 9 days. Overall, reduction was highly variable, and none of the trials showed statistically significant reduction in NoV RNA concentration at the end of each depuration period. Indeed, NoV concentration remained high in 70% of samples even after 9 days of depuration, with values ranging between 4.0 × 102 and 2.3 × 104 g.c./g. These results indicate that an extension of commercial depuration time does not appear to be effective for reducing or eliminating NoV in oysters.
Antigen-Presenting Cells in the Airways: Moderating Asymptomatic Bacterial Carriage
Authors: Slimmen Lisa J. M. , Janssens Hettie M. , van Rossum Annemarie M. C. , Unger Wendy W. J.
Published: July 2021

Bacterial respiratory tract infections (RTIs) are a major global health burden, and the role of antigen-presenting cells (APCs) in mounting an immune response to contain and clear invading pathogens is well-described. However, most encounters between a host and a bacterial pathogen do not result in symptomatic infection, but in asymptomatic carriage instead. The fact that a pathogen will cause infection in one individual, but not in another does not appear to be directly related to bacterial density, but rather depend on qualitative differences in the host response. Understanding the interactions between respiratory pathogens and airway APCs that result in asymptomatic carriage, will provide better insight into the factors that can skew this interaction towards infection. This review will discuss the currently available knowledge on airway APCs in the context of asymptomatic bacterial carriage along the entire respiratory tract. Furthermore, in order to interpret past and futures studies into this topic, we propose a standardized nomenclature of the different stages of carriage and infection, based on the pathogen’s position with regard to the epithelium and the amount of inflammation present.
A Review of Chlamydial Infections in Wild Birds
Authors: Stokes Helena S. , Berg Mathew L. , Bennett Andrew T. D.
Published: July 2021

The Chlamydia are a globally distributed genus of bacteria that can infect and cause disease in a range of hosts. Birds are the primary host for multiple chlamydial species. The most well-known of these is Chlamydia psittaci, a zoonotic bacterium that has been identified in a range of wild and domesticated birds. Wild birds are often proposed as a reservoir of Chlamydia psittaci and potentially other chlamydial species. The aim of this review is to present the current knowledge of chlamydial infections in wild avian populations. We focus on C. psittaci but also consider other Chlamydiaceae and Chlamydia-related bacteria that have been identified in wild birds. We summarise the diversity, host range, and clinical signs of infection in wild birds and consider the potential implications of these infections for zoonotic transmission and avian conservation. Chlamydial bacteria have been found in more than 70 species of wild birds, with the greatest chlamydial diversity identified in Europe. The Corvidae and Accipitridae families are emerging as significant chlamydial hosts, in addition to established wild hosts such as the Columbidae. Clarifying the effects of these bacteria on avian host fitness and the zoonotic potential of emerging Chlamydiales will help us to understand the implications of these infections for avian and human health.
Evidence of IgE-Mediated Cross-Reactions between Anisakis simplex and Contracaecum osculatum Proteins
Authors: Mehrdana Foojan , Lavilla María , Kania Per Walter , Pardo Miguel Ángel , Audicana María Teresa , Longo Natividad , Buchmann Kurt
Published: July 2021

Fish consumers may develop allergic reactions following the ingestion of fish products containing nematode larvae within the genus Anisakis. Sensitized patients may cross-react with proteins from insects, mites and mollusks, leading to allergic reactions even in the absence of the offending food. Potential cross-reactivity in Anisakis-allergic patients with larval proteins from other zoonotic parasites present in freshwater and sea fish should be investigated due to an increasing occurrence in certain fish stocks, particularly Contracaecum osculatum. In this work, we evaluated IgE-cross reactions by in vivo (skin prick tests with parasites extracts) and in vitro methods (IgE-ELISA and IgE-immunoblot). In vivo skin prick tests (SPT) proved the reactivity of Anisakis-sensitized patients when exposed to C. osculatum antigens. Sera from Anisakis-sensitized patients confirmed the reaction with somatic antigens (SA) and excretory/secretory proteins (ES) from C. osculatum. Only anecdotal responses were obtained from other freshwater worm parasites. Consequently, it is suggested that Anisakis-sensitized humans, especially patients with high levels of specific anti-Anisakis antibodies, may react to C. osculatum proteins, possibly due to IgE-mediated cross-reactivity.