bluuebunny/crossref_metadata_2025 huggingface dataset:
One-Pot Synthesis and Molecular Modeling Studies of New Bioactive Spiro-Oxindoles Based on Uracil Derivatives as SARS-CoV-2 Inhibitors Targeting RNA Polymerase and Spike Glycoprotein
Authors: El-Kalyoubi Samar A. , Ragab Ahmed , Abu Ali Ola A. , Ammar Yousry A. , Seadawy Mohamed G. , Ahmed Aya , Fayed Eman A.
Published: March 2022

The first outbreak in Wuhan, China, in December 2019 was reported about severe acute coronaviral syndrome 2 (SARS-CoV-2). The global coronavirus disease 2019 (COVID-19) pandemic in 2020 resulted in an extremely high potential for dissemination. No drugs are validated in large-scale studies for significant effectiveness in the clinical treatment of COVID-19 patients, despite the worsening trends of COVID-19. This study aims to design a simple and efficient cyclo-condensation reaction of 6-aminouracil derivatives 2a–e and isatin derivatives 1a–c to synthesize spiro-oxindoles 3a–d, 4a–e, and 5a–e. All compounds were tested in vitro against the SARS-CoV-2. Four spiro[indoline-3,5′-pyrido[2,3-d:6,5-d’]dipyrimidine derivatives 3a, 4b, 4d, and 4e showed high activities against the SARS-CoV-2 in plaque reduction assay and were subjected to further RNA-dependent-RNA-polymerase (RdRp) and spike glycoprotein inhibition assay investigations. The four compounds exhibited potent inhibitory activity ranging from 40.23 ± 0.09 to 44.90 ± 0.08 nM and 40.27 ± 0.17 to 44.83 ± 0.16 nM, respectively, when compared with chloroquine as a reference standard, which showed 45 ± 0.02 and 45 ± 0.06 nM against RdRp and spike glycoprotein, respectively. The computational study involving the docking studies of the binding mode inside two proteins ((RdRp) (PDB: 6m71), and (SGp) (PDB: 6VXX)) and geometrical optimization used to generate some molecular parameters were performed for the most active hybrids.
Inhibition of Respiratory RNA Viruses by a Composition of Ionophoric Polyphenols with Metal Ions
Authors: Kreiser Topaz , Zaguri Dor , Sachdeva Shreya , Zamostiano Rachel , Mograbi Josef , Segal Daniel , Bacharach Eran , Gazit Ehud
Published: March 2022

Controlling the infectivity of respiratory RNA viruses is critical, especially during the current SARS-CoV-2 pandemic. There is an unmet need for therapeutic agents that can reduce viral replication, preferably independent of the accumulation of viral mutations. Zinc ions have an apparent activity as modulators of intracellular viral RNA replication and thus, appear attractive in reducing viral RNA load and infectivity. However, the intracellular concentration of zinc is usually too low for achieving an optimal inhibitory effect. Various herbal polyphenols serve as excellent zinc ionophores with known antiviral properties. Here, we combined zinc picolinate with a collection of flavonoids, representing commonly used polyphenols. Copper was added to avoid ionic imbalance during treatment and to improve efficacy. Each component separately, as well as their combinations, did not interfere with the viability of cultured A549, H1299, or Vero cells in vitro as determined by MTT assay. The safe combinations were further evaluated to determine antiviral activity. Fluorescence-activated cell sorting and quantitative polymerase chain reaction were used to evaluate antiviral activity of the combinations. They revealed a remarkable (50–95%) decrease, in genome replication levels of a diverse group of respiratory RNA viruses, including the human coronavirus OC43 (HCoV-OC43; a betacoronavirus that causes the common cold), influenza A virus (IAV, strain A/Puerto Rico/8/34 H1N1), and human metapneumovirus (hMPV). Collectively, our results offer an orally bioavailable therapeutic approach that is non-toxic, naturally sourced, applicable to numerous RNA viruses, and potentially insensitive to new mutations and variants.
Development and Performance Verification of the PBPK Model for Antazoline and Its Metabolite and Its Utilization for Pharmacological Hypotheses Formulating
Authors: Wiśniowska Barbara , Giebułtowicz Joanna , Piotrowski Roman , Kułakowski Piotr , Polak Sebastian
Published: March 2022

Antazoline is an antihistaminic drug that is effective in the termination of paroxysmal atrial fibrillation. Despite its long presence in the market, antazoline’s ADME parameters and pharmacokinetic effects in humans are poorly characterized. The objective of this study was to fill this gap by generation of in vitro and in vivo data and the development of a physiologically based pharmacokinetic model describing antazoline and its main metabolite disposition. A set of ADME parameters for the antazoline and its hydroxy metabolite is provided based on literature data, QSAR predictions, in vitro binding and metabolic stability assays. These can be used to feed PBPK models. In our current work, the developed PBPK model simulating simultaneously the pharmacokinetic profile of antazoline and its metabolite was successfully verified against the available clinical data and the presented capability to account for the clinically observed variability. When used to feed the PD model (e.g., simulating ECG), concentration-time profiles predicted by the model enable the assessment of antazoline’s effect in various clinical scenarios with the possibility to account for population differences or CP mediated drug-drug interactions.
PLGA-Gold Nanocomposite: Preparation and Biomedical Applications
Authors: Alkilany Alaaldin M. , Rachid Ousama , Alkawareek Mahmoud Y. , Billa Nashiru , Daou Anis , Murphy Catherine J.
Published: March 2022

A composite system consisting of both organic and inorganic nanoparticles is an approach to prepare a new material exhibiting “the best of both worlds”. In this review, we highlight the recent advances in the preparation and applications of poly(lactic-co-glycolic acid)-gold nanoparticles (PLGA-GNP). With its current clinically use, PLGA-based nanocarriers have promising pharmaceutical applications and can “extract and utilize” the fascinating optical and photothermal properties of encapsulated GNP. The resulting “golden polymeric nanocarrier” can be tracked, analyzed, and visualized using the encapsulated gold nanoprobes which facilitate a better understanding of the hosting nanocarrier’s pharmacokinetics and biological fate. In addition, the “golden polymeric nanocarrier” can reveal superior nanotherapeutics that combine both the photothermal effect of the encapsulated gold nanoparticles and co-loaded chemotherapeutics. To help stimulate more research on the development of nanomaterials with hybrid and exceptional properties, functionalities, and applications, this review provides recent examples with a focus on the available chemistries and the rationale behind encapsulating GNP into PLGA nanocarriers that has the potential to be translated into innovative, clinically applicable nanomedicine.
Smart Injectable Chitosan Hydrogels Loaded with 5-Fluorouracil for the Treatment of Breast Cancer
Authors: Abdellatif Ahmed A. H. , Mohammed Ahmed M. , Saleem Imran , Alsharidah Mansour , Al Rugaie Osamah , Ahmed Fatma , Osman Shaaban K.
Published: March 2022

The treatment of breast cancer requires long chemotherapy management, which is accompanied by severe side effects. Localized delivery of anticancer drugs helps to increase the drug concentration at the site of action and overcome such a problem. In the present study, chitosan hydrogel was prepared for local delivery of 5-Fluorouracil. The in vitro release behavior was investigated and the anticancer activity was evaluated against MCF-7 cells using MTT assay. The in vivo studies were investigated via intra-tumoral injection of a 5-FU loaded hydrogel into breast cancer of female rats. The results indicated that the modified hydrogel has excellent physicochemical properties with a sustained in vitro release profile matching a zero-order kinetic for one month. In addition, the hydrogel showed superior inhibition of cell viability compared with the untreated control group. Moreover, the in vivo studies resulted in antitumor activity with minor side effects. The tumor volume and level of tumor markers in blood were inhibited significantly by applying the hydrogel compared with the untreated control group. In conclusion, the designed injectable hydrogels are potential drug delivery systems for the treatment of breast cancer with a controlled drug release profile, which could be suitable for decreasing the side effects of chemotherapy agents.
3,4-Dihydroxyphenylethanol (DPE or Hydroxytyrosol) Counteracts ERK1/2 and mTOR Activation, Pro-Inflammatory Cytokine Release, Autophagy and Mitophagy Reduction Mediated by Benzo[a]pyrene in Primary Human Colonic Epithelial Cells
Authors: Santarelli Roberta , Pompili Chiara , Gilardini Montani Maria Saveria , Evangelista Lorenzo , Gonnella Roberta , Cirone Mara
Published: March 2022

Understanding the effects induced by carcinogens on primary colonic epithelial cells and how to counteract them might help to prevent colon cancer, which is one of the most frequent and aggressive cancers. In this study, we exposed primary human colonic epithelial cells (HCoEpC) to Benzo[a]pyrene (B[a]P) and found that it led to an increased production of pro-inflammatory cytokines and activated ERK1/2 and mTOR. These pathways are known to be involved in inflammatory bowel disease (IBD), which represents a colon cancer risk factor. Moreover, B[a]P reduced autophagy and mitophagy, processes whose dysregulation has been clearly demonstrated to predispose to cancer either by in vitro or in vivo studies. Interestingly, all the effects induced by B[a]P could be counteracted by 3,4-Dihydroxyphenylethanol (DPE or Hydroxytyrosol, H), the most powerful anti-inflammatory and antioxidant compound contained in olive oil. This study sheds light on the mechanisms that could be involved in colon carcinogenesis induced by a chemical carcinogen and identifies a safe natural product that may help to prevent them.
High-Resolution Ultrasound Spectroscopy for the Determination of Phospholipid Transitions in Liposomal Dispersions
Authors: Perinelli Diego Romano , Cespi Marco , Palmieri Giovanni Filippo , Aluigi Annalisa , Bonacucina Giulia
Published: March 2022

High-resolution ultrasound spectroscopy (HR-US) is a spectroscopic technique using ultrasound waves at high frequencies to investigate the structural properties of dispersed materials. This technique is able to monitor the variation of ultrasound parameters (sound speed and attenuation) due to the interaction of ultrasound waves with samples as a function of temperature and concentration. Despite being employed for the characterization of several colloidal systems, there is a lack in the literature regarding the comparison between the potential of HR-US for the determination of phospholipid thermal transitions and that of other common techniques both for loaded or unloaded liposomes. Thermal transitions of liposomes composed of pure phospholipids (dimyristoylphosphatidylcholine, DMPC; dipalmitoylphosphatidylcholine, DPPC and distearoylphosphatidylcholine, DSPC), cholesterol and their mixtures were investigated by HR-US in comparison to the most commonly employed microcalorimetry (mDSC) and dynamic light scattering (DLS). Moreover, tramadol hydrochloride, caffeine or miconazole nitrate as model drugs were loaded in DPPC liposomes to study the effect of their incorporation on thermal properties of a phospholipid bilayer. HR-US provided the determination of phospholipid sol-gel transition temperatures from both attenuation and sound speed that are comparable to those calculated by mDSC and DLS techniques for all analysed liposomal dispersions, both loaded and unloaded. Therefore, HR-US is proposed here as an alternative technique to determine the transition temperature of phospholipid membrane in liposomes.
Dually Active Polycation/miRNA Nanoparticles for the Treatment of Fibrosis in Alcohol-Associated Liver Disease
Authors: Zhang Chuhan , Hang Yu , Tang Weimin , Sil Diptesh , Jensen-Smith Heather C. , Bennett Robert G. , McVicker Benita L. , Oupický David
Published: March 2022

Alcohol-associated liver disease (AALD) is a major cause of liver disorders worldwide. Current treatment options are limited, especially for AALD-associated fibrosis. Promising approaches include RNA interference for miR-155 overexpression in Kupffer cells (KCs), as well as the use of CXCR4 antagonists that inhibit the activation of hepatic stellate cells (HSCs) through the CXCL12/CXCR4 axis. The development of dual-functioning nanoparticles for the effective delivery of antifibrotic RNA together with a CXCR4 inhibitor thus promises to improve the treatment of AALD fibrosis. In this study, cholesterol-modified polymeric CXCR4 inhibitor (Chol-PCX) was synthesized and used to encapsulate anti-miR-155 or non-coding (NC) miRNA in the form of Chol-PCX/miRNA nanoparticles. The results indicate that the nanoparticles induce a significant miR-155 silencing effect both in vitro and in vivo. Treatment with the Chol-PCX/anti-miR-155 particles in a model of moderate alcohol consumption with secondary liver insult resulted in a significant reduction in aminotransferase enzymes as well as collagen content in the liver parenchyma. Overall, our data support the use of Chol-PCX as a carrier for anti-miR-155 for the combined therapeutic inhibition of CXCR4 and miR-155 expression as a way to improve fibrotic damage in the liver.
Effect of Pregabalin Combined with Duloxetine and Tramadol on Allodynia in Chronic Postischemic Pain and Spinal Nerve Ligation Mouse Models
Authors: Quan Jie , Lee Jin Young , Choi Hoon , Kim Young Chan , Yang Sungwon , Jeong Jongmin , Park Hue Jung
Published: March 2022

Although there are various drugs for Neuropathic pain (NP), the effects of single drugs are often not very satisfactory. The analgesic effects of different combinations of pregabalin, duloxetine, and tramadol or the combination of all three are still unclear. Mixtures of two or three drugs at low and high concentrations (7.5, 10, 15, and 20 mg/kg pregabalin; 7.5, 10, 15, and 30 mg/kg duloxetine; 5 and 10 mg/kg tramadol) were administered to chronic postischemic pain (CPIP) and spinal nerve ligation (SNL) model mice. The effects of these combinations of drugs on mechanical allodynia were investigated. The expression of the glial fibrillary acidic protein (GFAP) in the spinal cord and dorsal root ganglia (DRGs) was measured. The combination of pregabalin, duloxetine, and tramadol significantly alleviated mechanical hyperalgesia in mice with CPIP and SNL. After the administration of this drug combination, the expression of GFAP in the spinal cord and DRGs was lower in the CPIP and SNL model mice than in control mice. This result suggests that the combination of these three drugs may be advantageous for the treatment of NP because it can reduce side effects by preventing the overuse of a single drug class and exert increased analgesic effects via synergism.
Aggregates Associated with Instability of Antibodies during Aerosolization Induce Adverse Immunological Effects
Authors: Sécher Thomas , Bodier-Montagutelli Elsa , Parent Christelle , Bouvart Laura , Cortes Mélanie , Ferreira Marion , MacLoughlin Ronan , Ilango Guy , Schmid Otmar , Respaud Renaud , Heuzé-Vourc’h Nathalie
Published: March 2022

Background: Immunogenicity refers to the inherent ability of a molecule to stimulate an immune response. Aggregates are one of the major risk factors for the undesired immunogenicity of therapeutic antibodies (Ab) and may ultimately result in immune-mediated adverse effects. For Ab delivered by inhalation, it is necessary to consider the interaction between aggregates resulting from the instability of the Ab during aerosolization and the lung mucosa. The aim of this study was to determine the impact of aggregates produced during aerosolization of therapeutic Ab on the immune system. Methods: Human and murine immunoglobulin G (IgG) were aerosolized using a clinically-relevant nebulizer and their immunogenic potency was assessed, both in vitro using a standard human monocyte-derived dendritic cell (MoDC) reporter assay and in vivo in immune cells in the airway compartment, lung parenchyma and spleen of healthy C57BL/6 mice after pulmonary administration. Results: IgG aggregates, produced during nebulization, induced a dose-dependent activation of MoDC characterized by the enhanced production of cytokines and expression of co-stimulatory markers. Interestingly, in vivo administration of high amounts of nebulization-mediated IgG aggregates resulted in a profound and sustained local and systemic depletion of immune cells, which was attributable to cell death. This cytotoxic effect was observed when nebulized IgG was administered locally in the airways as compared to a systemic administration but was mitigated by improving IgG stability during nebulization, through the addition of polysorbates to the formulation. Conclusion: Although inhalation delivery represents an attractive alternative route for delivering Ab to treat respiratory infections, our findings indicate that it is critical to prevent IgG aggregation during the nebulization process to avoid pro-inflammatory and cytotoxic effects. The optimization of Ab formulation can mitigate adverse effects induced by nebulization.
Strategies for Targeted Delivery of Exosomes to the Brain: Advantages and Challenges
Authors: Choi Hojun , Choi Kyungsun , Kim Dae-Hwan , Oh Byung-Koo , Yim Hwayoung , Jo Soojin , Choi Chulhee
Published: March 2022

Delivering therapeutics to the central nervous system (CNS) is difficult because of the blood–brain barrier (BBB). Therapeutic delivery across the tight junctions of the BBB can be achieved through various endogenous transportation mechanisms. Receptor-mediated transcytosis (RMT) is one of the most widely investigated and used methods. Drugs can hijack RMT by expressing specific ligands that bind to receptors mediating transcytosis, such as the transferrin receptor (TfR), low-density lipoprotein receptor (LDLR), and insulin receptor (INSR). Cell-penetrating peptides and viral components originating from neurotropic viruses can also be utilized for the efficient BBB crossing of therapeutics. Exosomes, or small extracellular vesicles, have gained attention as natural nanoparticles for treating CNS diseases, owing to their potential for natural BBB crossing and broad surface engineering capability. RMT-mediated transport of exosomes expressing ligands such as LDLR-targeting apolipoprotein B has shown promising results. Although surface-modified exosomes possessing brain targetability have shown enhanced CNS delivery in preclinical studies, the successful development of clinically approved exosome therapeutics for CNS diseases requires the establishment of quantitative and qualitative methods for monitoring exosomal delivery to the brain parenchyma in vivo as well as elucidation of the mechanisms underlying the BBB crossing of surface-modified exosomes.
Physicochemical Profile of Antiandrogen Drug Bicalutamide: Solubility, Distribution, Permeability
Authors: Volkova Tatyana V. , Simonova Olga R. , Perlovich German L.
Published: March 2022

The pharmacologically relevant physicochemical properties of the antiandrogen drug bicalutamide (BCL) have been determined for the first time. Solubility in aqueous solution, 1-octanol, n-hexane, and ethanol was measured by the shake flask method in the temperature range of 293.15–313.15 K. The compound was shown to be poorly soluble in aqueous medium and n-hexane; at the same time, an essentially higher solubility in the alcohols was revealed. The following order of molar solubility was determined: ethanol > 1-octanol > water ≈ n-hexane. The solubility was correlated with the Van’t Hoff and Apelblat equations. Evaluation of the Hansen solubility parameters and the atomic group contribution approach of Hoftyzer and Van Krevelen demonstrated consistency with the experimental data and good potential adsorption of bicalutamide. The temperature dependences of the distribution coefficients in the 1-octanol/water and n-hexane/water two-phase systems were measured and discussed in the framework of the thermodynamic approach. The ∆logD parameter determined from the distribution experiment clearly demonstrated the preference of the lipophilic delivery pathways for the compound in the biological media. The overall thermodynamic analysis based on the solubility and distribution results of the present study and the sublimation characteristics published previously has been performed. To this end, the thermodynamic parameters of the dissolution, solvation, and transfer processes were calculated and discussed in view of the solute-solvent interactions. The permeation rate of BCL through the PermeaPad barrier was measured and compared with PAMPA permeability.
Assessing the Dermal Penetration Efficacy of Chemical Compounds with the Ex-Vivo Porcine Ear Model
Authors: Keck Cornelia M. , Abdelkader Ayat , Pelikh Olga , Wiemann Sabrina , Kaushik Vasudha , Specht David , Eckert Ralph W. , Alnemari Reem M. , Dietrich Henriette , Brüßler Jana
Published: March 2022

(1) Background: The ex vivo porcine ear model is often used for the determination of the dermal penetration efficacy of chemical compounds. This study investigated the influence of the post-slaughter storage time of porcine ears on the dermal penetration efficacy of chemical compounds. (2) Methods: Six different formulations (curcumin and different fluorescent dyes in different vehicles and/or nanocarriers) were tested on ears that were (i) freshly obtained, (ii) stored for 24 or 48 h at 4 °C after slaughter before use and (iii) freshly frozen and defrosted 12 h before use. (3) Results: Results showed that porcine ears undergo post-mortem changes. The changes can be linked to rigor mortis and all other well-described phenomena that occur with carcasses after slaughter. The post-mortem changes modify the skin properties of the ears and affect the penetration efficacy. The onset of rigor mortis causes a decrease in the water-holding capacity of the ears, which leads to reduced penetration of chemical compounds. The water-holding capacity increases once the rigor is released and results in an increased penetration efficacy for chemical compounds. Despite different absolute penetration values, no differences in the ranking of penetration efficacies between the different formulations were observed between the differently aged ears. (4) Conclusions: All different types of ears can be regarded to be suitable for dermal penetration testing of chemical compounds. The transepidermal water loss (TEWL) and/or skin hydration of the ears were not correlated with the ex vivo penetration efficacy because both an impaired skin barrier and rigor mortis cause elevated skin hydration and TEWL values but an opposite penetration efficacy. Other additional values (for example, pH and/or autofluorescence of the skin) should, therefore, be used to select suitable and non-suitable skin areas for ex vivo penetration testing. Finally, data from this study confirmed that smartFilms and nanostructured lipid carriers (NLC) represent superior formulation strategies for efficient dermal and transdermal delivery of curcumin.
Preliminary Phytochemical Profile and Bioactivity of Inga jinicuil Schltdl & Cham. ex G. Don
Authors: Gallegos-García Ammy Joana , Lobato-García Carlos Ernesto , González-Cortazar Manasés , Herrera-Ruiz Maribel , Zamilpa Alejandro , Álvarez-Fitz Patricia , Pérez-García Ma Dolores , López-Rodríguez Ricardo , Ble-González Ever A. , Medrano-Sánchez Eric Jaziel , Feldman Max R. , Bugarin Alejandro , Gómez-Rivera Abraham
Published: March 2022

Several Mesoamerican cultures have used Inga jinicuil as traditional medicine for the treatment of gastrointestinal, inflammatory, and infectious issues. The aims of this contribution were to elucidate the phytochemical profile of the organic extracts from the bark and leaves of I. jinicuil and to assess the anti-inflammatory and antibacterial properties of these extracts. The preliminary chemical profile was determined by HPLC-PDA and GC-MS; the anti-inflammatory activity was evaluated with a mouse ear edema model, whereas the antibacterial activity was screened against several bacteria. The phytochemical profile of both organs (bark and leaves) of I. jinicuil led to the identification of 42 compounds, such as polyphenolic, flavonoids, triterpenes, prenol-type lipids, and aliphatic and non-aliphatic esters. This molecular diversity gave moderate anti-inflammatory activity (67.3 ± 2.0%, dichloromethane bark extract) and excellent antibacterial activity against Pseudomona aeruginosa and methicillin-resistant Sthaphylococcus aureus (MIC values of ˂3.12 and 50 µg/mL, respectively). These results contribute to the chemotaxonomic characterization and the rational use in traditional medicine of Inga jinicuil Schltdl & Cham. ex G. Don.
Towards a Stochastic Model to Simulate Grapevine Architecture: A Case Study on Digitized Riesling Vines Considering Effects of Elevated CO2
Authors: Schmidt Dominik , Kahlen Katrin , Bahr Christopher , Friedel Matthias
Published: March 2022

Modeling plant growth, in particular with functional-structural plant models, can provide tools to study impacts of changing environments in silico. Simulation studies can be used as pilot studies for reducing the on-field experimental effort when predictive capabilities are given. Robust model calibration leads to less fragile predictions, while introducing uncertainties in predictions allows accounting for natural variability, resulting in stochastic plant growth models. In this study, stochastic model components that can be implemented into the functional-structural plant model Virtual Riesling are developed relying on Bayesian model calibration with the goal to enhance the model towards a fully stochastic model. In this first step, model development targeting phenology, in particular budburst variability, phytomer development rate and internode growth are presented in detail. Multi-objective optimization is applied to estimate a single set of cardinal temperatures, which is used in phenology and growth modeling based on a development days approach. Measurements from two seasons of grapevines grown in a vineyard with free-air carbon dioxide enrichment (FACE) are used; thus, model building and selection are coupled with an investigation as to whether including effects of elevated CO2 conditions to be expected in 2050 would improve the models. The results show how natural variability complicates the detection of possible treatment effects, but demonstrate that Bayesian calibration in combination with mixed models can realistically recover natural shoot growth variability in predictions. We expect these and further stochastic model extensions to result in more realistic virtual plant simulations to study effects, which are used to conduct in silico studies of canopy microclimate and its effects on grape health and quality.
Arbuscular Mycorrhizal Symbiosis Differentially Affects the Nutritional Status of Two Durum Wheat Genotypes under Drought Conditions
Authors: Fiorilli Valentina , Maghrebi Moez , Novero Mara , Votta Cristina , Mazzarella Teresa , Buffoni Beatrice , Astolfi Stefania , Vigani Gianpiero
Published: March 2022

Durum wheat is one of the most important agricultural crops, currently providing 18% of the daily intake of calories and 20% of daily protein intake for humans. However, being wheat that is cultivated in arid and semiarid areas, its productivity is threatened by drought stress, which is being exacerbated by climate change. Therefore, the identification of drought tolerant wheat genotypes is critical for increasing grain yield and also improving the capability of crops to uptake and assimilate nutrients, which are seriously affected by drought. This work aimed to determine the effect of arbuscular mycorrhizal fungi (AMF) on plant growth under normal and limited water availability in two durum wheat genotypes (Svevo and Etrusco). Furthermore, we investigated how the plant nutritional status responds to drought stress. We found that the response of Svevo and Etrusco to drought stress was differentially affected by AMF. Interestingly, we revealed that AMF positively affected sulfur homeostasis under drought conditions, mainly in the Svevo cultivar. The results provide a valuable indication that the identification of drought tolerant plants cannot ignore their nutrient use efficiency or the impact of other biotic soil components (i.e., AMF).
Crop Model Parameterisation of Three Important Pearl Millet Varieties for Improved Water Use and Yield Estimation
Authors: Ausiku Petrus A. , Annandale John G. , Steyn Joachim Martin , Sanewe Andrew J.
Published: March 2022

Pearl millet is an important crop for food security in Asia and Africa’s arid and semi-arid regions. It is widely grown as a staple cereal grain for human consumption and livestock fodder. Mechanistic crop growth and water balance models are useful to forecast crop production and water use. However, very few studies have been devoted to the development of the model parameters needed for such simulations for pearl millet. The objectives of the study were to determine crop-specific model parameters for each of three pearl millet varieties (landrace, hybrid, and improved), as well as to calibrate and validate the Soil Water Balance (SWB) model for predicting pearl millet production and water use based on weather data. The SWB was chosen because it is widely used in southern Africa; however, the developed parameters should benefit other models as well. The presented crop-specific parameter values were derived from field observations and literature. Varieties with different phenology, maturity dates and tillering habits were grown under well-watered and well-fertilised conditions for calibration purposes. The calibrated model was used to predict biomass production, grain yield and crop water use. The hybrid’s water use efficiency was higher than that of the landrace and improved variety.
Utilization of Biomasses from Landscape Conservation Growths Dominated by Common Ragwort (Jacobaea vulgaris Gaertn.) for Biomethanization
Authors: Müller Jürgen , Wiedow Denny , Chmit Mohammad Said , Beuerle Till
Published: March 2022

The highly toxic species common ragwort (Jacobaea vulgaris Gaertn.) prefers to migrate into protected dry grassland biotopes and limits the use of the resulting biomass as animal feed. There is an urgent need for a safe alternative use of the contaminated biomass apart from landfill disposal. We investigated the optional utilization of biomethanization of fresh and ensiled common ragwort biomasses and evaluated their energetic potentials by estimation models based on biochemical characteristics and by standardized batch experiments. The fresh and ensiled substrates yielded 174 LN∙kg−1 oDM methane and 185 LN∙kg−1 oDM, respectively. Ensiling reduced the toxic pyrrolizidine alkaloid content by 76.6%; a subsequent wet fermentation for an additional reduction is recommended. In comparison with other biomasses from landscape cultivation, ragwort biomass can be ensiled readily but has a limited energy potential if harvested at its peak flowering stage. Considering these properties and limitations, the energetic utilization is a promising option for a sustainable handling of Senecio-contaminated biomasses in landscape conservation practice and represents a safe alternative for reducing pyrrolizidine alkaloid entry into the agri-food sector.
“Live-Autoradiography” Technique Reveals Genetic Variation in the Rate of Fe Uptake by Barley Cultivars
Authors: Higuchi Kyoko , Kurita Keisuke , Sakai Takuro , Suzui Nobuo , Sasaki Minori , Katori Maya , Wakabayashi Yuna , Majima Yuta , Saito Akihiro , Ohyama Takuji , Kawachi Naoki
Published: March 2022

Iron (Fe) is an essential trace element in plants; however, the available Fe in soil solution does not always satisfy the demand of plants. Genetic diversity in the rate of Fe uptake by plants has not been broadly surveyed among plant species or genotypes, although plants have developed various Fe acquisition mechanisms. The “live-autoradiography” technique with radioactive 59Fe was adopted to directly evaluate the uptake rate of Fe by barley cultivars from a nutrient solution containing a very low concentration of Fe. The uptake rate of Fe measured by live autoradiography was consistent with the accumulation of Fe-containing proteins on the thylakoid membrane. The results revealed that the ability to acquire Fe from the low-Fe solution was not always the sole determinant of tolerance to Fe deficiency among barley genotypes. The live-autoradiography system visualizes the distribution of β-ray-emitting nuclides and has flexibility in the shape of the field of view. This technique will strongly support phenotyping with regard to the long-distance transport of nutrient elements in the plant body.
Effects of Four Cropping Patterns of Lilium brownii on Rhizosphere Microbiome Structure and Replant Disease
Authors: Ma Wenyue , Liao Xiaolan , Wang Chong , Zhang Ya
Published: March 2022

Replant disease caused by continuous cropping obstacles commonly occurs in a Lilium brownii consecutive monoculture. To reveal the mechanisms contributing to the continuous cropping obstacles of L. brownii, four cropping patterns (fallow, L. brownii-rice rotation, newly planted L. brownii, and 2-year L. brownii consecutive monoculture) were designed, and Illumina MiSeq (16S rDNA and ITS) was utilized to detect shifts in the microbial community in the rhizosphere. Our result showed that planting of L. brownii significantly reduced soil pH. Consecutive monoculture of L. brownii can significantly decrease the diversity and abundance of soil bacteria, but markedly increase the diversity and abundance of soil fungi. Under the four planting pattern treatments, the changes in soil pH were consistent with the changes in the Shannon diversity index of soil bacterial communities, whereas we observed a negative correlation between soil pH and Shannon diversity index for fungi. The relative abundance of Lactobacillales significantly increased in soils of L. brownii consecutive monoculture, while Acidobacteriales, Solibacterales, and Xanthomonadales increased in soils of L. brownii-rice rotation and newly planted L. brownii. Collectively, this work aimed to elucidate the relationship between the L. brownii planting patterns and soil microbiome, thereby providing a theoretical basis for screening new biological agents that may contribute to resolving continuous cropping obstacles of L. brownii.
Study on Thermal-Oxidative Aging Properties of Ethylene-Propylene-Diene Monomer Composites Filled with Silica and Carbon Nanotubes
Authors: Zhang Xiaoming , Li Jian , Chen Zilong , Pang Ce , He Shaojian , Lin Jun
Published: March 2022

In this work, a small amount of carbon nanotubes (CNTs) was used to partially replace the silica in ethylene-propylene-diene monomer (EPDM) to prepare EPDM composites via mechanical blending. The mechanical properties, thermal-oxidative aging properties and thermal stability of the composites were systematically investigated. The results showed that with the increase of CNTs content, the Shore A hardness and stress at 100% strain of the composites increased, while the elongation at break decreased. With the aging time increasing, the aging coefficient and elongation at break of composites decreased while hardness increased due to the raise of crosslinking density. In addition, evidences were found to demonstrate the improved aging resistance by adding CNTs in the EPDM composites, including the less change in Shore A hardness, the smaller change ratio of elongation at break and the lower aging coefficient. When the content of CNTs reached 10 phr, the aging coefficient of the EPDM composite aged for 168 h was nearly twice that of the composite without CNTs, and the thermal stability of the EPDM composite with CNTs was improved as demonstrated by thermal analysis.
Employing Cellulose Nanofiber-Based Hydrogels for Burn Dressing
Authors: Basti Aliakbar Tofangchi Kalle , Jonoobi Mehdi , Sepahvand Sima , Ashori Alireza , Siracusa Valentina , Rabie Davood , Mekonnen Tizazu H. , Naeijian Fatemeh
Published: March 2022

The aim of this research was to fabricate a burn dressing in the form of hydrogel films constructed with cellulose nanofibers (CNF) that has pain-relieving properties, in addition to wound healing. In this study, the hydrogels were prepared in the form of film. For this, CNF at weight ratios of 1, 2, and 3 wt.%, 1 wt.% of hydroxyethyl cellulose (HEC), and citric acid (CA) crosslinker with 10 and 20 wt.% were used. FE-SEM analysis showed that the structure of the CNF was preserved after hydrogel preparation. Cationization of CNF by C6H14NOCl was confirmed by FTIR spectroscopy. The drug release analysis results showed a linear relationship between the amount of absorption and the concentration of the drug. The MTT test (assay protocol for cell viability and proliferation) showed the high effectiveness of cationization of CNF and confirmed the non-toxicity of the resulting hydrogels.
Estimation of Tensile Modulus of a Thermoplastic Material from Dynamic Mechanical Analysis: Application to Polyamide 66
Authors: Serra-Aguila Albert , Puigoriol-Forcada Josep Maria , Reyes Guillermo , Menacho Joaquin
Published: March 2022

The mechanical properties of thermoplastic materials depend on temperature and strain rate. This study examined the development of a procedure to predict tensile moduli at different strain rates and temperatures, using experimental data from three-point-bending dynamic mechanical analysis (DMA). The method integrated different classical concepts of rheology to establish a closed formulation that will allow researchers save an important amount of time. Furthermore, it implied a significant decrease in the number of tests when compared to the commonly used procedure with a universal testing machine (UTM). The method was validated by means of a prediction of tensile moduli of polyamide PA66 in the linear elastic range, over a temperature range that included the glass-transition temperature. The method was applicable to thermo-rheologically simple materials under the hypotheses of isotropy, homogeneity, small deformations, and linear viscoelasticity. This method could be applicable to other thermoplastic materials, although it must be tested using these other materials to determine to what extent it can be applied reliably.
Characterization and Release Kinetics Study of Active Packaging Films Based on Modified Starch and Red Cabbage Anthocyanin Extract
Authors: Cheng Meng , Yan Xiaoran , Cui Yingjun , Han Minjie , Wang Yirong , Wang Juan , Zhang Rongfei , Wang Xiangyou
Published: March 2022

Active packaging films were prepared by adding red cabbage anthocyanin extract (RCAE) into acetylated distarch phosphate (ADSP). This paper investigated the influence of the interaction relationship between RCAE and the film matrix on the structure, barrier, antioxidant and release properties of active films. Sixteen principal compounds in RCAE were identified as anthocyanins based on mass spectroscopic analysis. Micromorphological observations indicated that the RCAE distribution uniformity in the films decreased as the RCAE content increased. When the concentration of RCAE was not higher than 20%, the moisture absorption and oxygen permeability of films decreased. The stability of RCAE in the films was enhanced by the electrostatic interaction between RCAE and ADSP with the formation of hydrogen bonds, which facilitated the sustainability of the antioxidant properties of films. The release kinetics of RCAE proved that the release rate of RCAE in active films was the fastest in distilled water, and Fickian’s law was appropriate for portraying the release behavior. Moreover, the cytocompatibilty assay showed that the test films were biocompatible with a viability of >95% on HepG2 cells. Thus, this study has established the suitability of the films for applications in active and food packaging.
Impact of Drying Regimes and Different Coating Layers on Carboxymethyl Cellulose Cross-Linked with Citric Acid on Cotton Thread Fibers for Wound Dressing Modification
Authors: Khairunnisa-Atiqah Mohamad Khalid , Salleh Kushairi Mohd , Ainul Hafiza A. H. , Nyak Mazlan Nyak Syazwani , Mostapha Marhaini , Zakaria Sarani
Published: March 2022

The oldest preservation techniques used are drying techniques, which are employed to remove moisture and prevent microorganisms’ growths, prolonging a material’s shelf life. This study evaluates the effects of drying methods on carboxymethyl cellulose (CMC) + citric acid (CA) coating layers on cotton threads. For this reason, cotton threads were washed and then coated with different layers of CMC cross-linked with CA, followed by drying using an oven (OD), infrared (IR), and a combination of oven + IR (OIR) drying methods at 65 °C. Our investigations revealed that CMC + CA yields a pliable biopolymer. The differences in drying regimes and coating layers of CMC + CA have a significant effect on the coated cotton thread strength and absorption capability. The study concluded that the IR drying regime is more effective to dry a single-layered cotton thread with a single layer of CMC + CA coating to enhance desirable properties for wound dressing modification.
A Review of Environmentally Friendly Approaches in Fire Extinguishing: From Chemical Sciences to Innovations in Electrical Engineering
Authors: Yılmaz-Atay Hüsnügül , Wilk-Jakubowski Jacek Lukasz
Published: March 2022

After the invention of fire, the fight against fire probably started, and it has been going on for thousands of years. During this time, the aim has always been to extinguish the fire as soon as possible and to produce fire-resistant materials. Symmetry plays an important role in reducing problems, as it is a common feature of modern life. Multidimensional signal processing has many applications, an example of which is the use of appropriately timed acoustic waves to extinguish flames. This article provides a brief review of issues related to the use of acoustic waves for flame suppression based on studies in the literature. In addition, measurement results available in the literature obtained using a high-power acoustic extinguisher are discussed as a review of the scientific literature. Furthermore, we provide the latest information on the situation of flame retardants, including the latest innovations in basic sciences. In this sense, from intrinsically fire-resistant materials to flame-retardant additives and nanocomposites, new processes and applications are briefly mentioned.
A New Decellularization Protocol of Porcine Aortic Valves Using Tergitol to Characterize the Scaffold with the Biocompatibility Profile Using Human Bone Marrow Mesenchymal Stem Cells
Authors: Faggioli Marika , Moro Arianna , Butt Salman , Todesco Martina , Sandrin Deborah , Borile Giulia , Bagno Andrea , Fabozzo Assunta , Romanato Filippo , Marchesan Massimo , Imran Saima , Gerosa Gino
Published: March 2022

The most common aortic valve diseases in adults are stenosis due to calcification and regurgitation. In pediatric patients, aortic pathologies are less common. When a native valve is surgically replaced by a prosthetic one, it is necessary to consider that the latter has a limited durability. In particular, current bioprosthetic valves have to be replaced after approximately 10 years; mechanical prostheses are more durable but require the administration of permanent anticoagulant therapy. With regard to pediatric patients, both mechanical and biological prosthetic valves have to be replaced due to their inability to follow patients’ growth. An alternative surgical substitute can be represented by the acellular porcine aortic valve that exhibits less immunogenic risk and a longer lifespan. In the present study, an efficient protocol for the removal of cells by using detergents, enzyme inhibitors, and hyper- and hypotonic shocks is reported. A new detergent (Tergitol) was applied to replace TX-100 with the aim to reduce toxicity and maximize ECM preservation. The structural integrity and efficient removal of cells and nuclear components were assessed by means of histology, immunofluorescence, and protein quantification; biomechanical properties were also checked by tensile tests. After decellularization, the acellular scaffold was sterilized with a standard protocol and repopulated with bone marrow mesenchymal stem cells to analyze its biocompatibility profile.
Novel Biodegradable Poly (Lactic Acid)/Wood Leachate Composites: Investigation of Antibacterial, Mechanical, Morphological, and Thermal Properties
Authors: Shahavi Mohammad Hassan , Selakjani Peyman Pouresmaeel , Abatari Mohadese Niksefat , Antov Petar , Savov Viktor
Published: March 2022

This research aimed to investigate the effects of using wood leachate (WL) powder as a cost-effective filler added to novel poly (lactic acid) biocomposites and evaluate their mechanical, thermal, morphological, and antibacterial properties. Fourier transform infrared spectroscopy (FTIR), tensile test, Charpy impact test, Shore hardness, scanning electron microscope (SEM), differential scanning calorimetry (DSC), contact angle, and bacterial growth inhibition tests were employed to characterize the developed biocomposites. The SEM results indicated a proper filler dispersion in the polymer matrix. WL powder improved the hydrophobic nature in the adjusted sample’s contact angle experiment. Markedly, the results showed that the addition of WL filler improved the mechanical properties of the fabricated biocomposites. The thermal analysis determined the development in crystallization behavior and a decline in glass transition temperature (Tg) from 60.1 to 49.3 °C in 7% PLA-WL biocomposites. The PLA-WL biocomposites exhibited an antibacterial activity according to the inhibition zone for Escherichia coli bacteria. The developed novel PLA-WL composites can be effectively utilized in various value-added industrial applications as a sustainable and functional biopolymer material.
Investigating the Effects of Cement and Polymer Grouting on the Shear Behavior of Rock Joints
Authors: Abolfazli Milad , Bazli Milad , Heydari Hossein , Fahimifar Ahmad
Published: March 2022

This study carried out a comparison between cement grouting and chemical grouting, using epoxy and polyurethane, with respect to their effects on the shear behavior of joints. Joint replicas, with three different grades of surface roughness, were molded and grouted by means of cement and epoxy grouts of various mixtures. To investigate their shear behavior, samples were subjected to direct shear tests under constant normal load (CNL) condition. According to the results obtained, grouting improves the overall shear strength of the rock joints. All the grouted samples yielded higher maximum and residual shear strength in comparison with the non-grouted joint. Grouting resulted in an improvement in the cohesion of all the samples. However, a fall in friction angle by 5.26° in the sample with JRC of nine was observed, yet it was reduced by 2.36° and 3.26° for joints with JRC of 14 and 19, respectively. Cement grouts were found to have a more brittle behavior, whereas the chemical grouts were more ductile. Higher amounts of cement used in the grout mixture do not provide as much cohesion and only increase the brittleness of the grout. As a result of being more brittle, cement grout breaks into small pieces and joint planes are in better contact during shearing; consequently, there would be less of a fall in friction angle as opposed to epoxy grout whose ductile characteristic prevents grout chipping; therefore, joint planes are not in contact and a greater fall in the friction angle occurs. There was no noticeable change in the cohesion of the larger grouted joints. However, the friction angle of both natural and grouted joints increased in the larger joint. This can be related to the distribution of random peaks and valleys on the joint surface, which increases with the joint size.