bluuebunny/crossref_metadata_2025 huggingface dataset:
A Simple Biorefinery Concept to Produce 2G-Lactic Acid from Sugar Beet Pulp (SBP): A High-Value Target Approach to Valorize a Waste Stream
Authors: Alves de Oliveira Regiane , Schneider Roland , Hoss Lunelli Betânia , Vaz Rossell Carlos Eduardo , Maciel Filho Rubens , Venus Joachim
Published: May 2020

Lactic acid is a high-value molecule with a vast number of applications. Its production in the biorefineries model is a possibility for this sector to aggregate value to its production chain. Thus, this investigation presents a biorefinery model based on the traditional sugar beet industry proposing an approach to produce lactic acid from a waste stream. Sugar beet is used to produce sugar and ethanol, and the remaining pulp is sent to animal feed. Using Bacillus coagulans in a continuous fermentation, 2781.01 g of lactic acid was produced from 3916.91 g of sugars from hydrolyzed sugar beet pulp, with a maximum productivity of 18.06 g L−1h−1. Without interfering in the sugar production, ethanol, or lactic acid, it is also possible to produce pectin and phenolic compounds in the biorefinery. The lactic acid produced was purified by a bipolar membrane electrodialysis and the recovery reached 788.80 g/L with 98% w/w purity.
Identification of Potential Extractables and Leachables in Cosmetic Plastic Packaging by Microchambers-Thermal Extraction and Pyrolysis-Gas Chromatography-Mass Spectrometry
Authors: Murat Pauline , Harohalli Puttaswamy Sowmya , Ferret Pierre-Jacques , Coslédan Sylvie , Simon Valérie
Published: May 2020

Most container–content interaction studies are carried out through migration tests on end products or simulants involving generally toxic solvents. This study was conducted with the aim of identifying potential leachables from materials used in cosmetic plastic packaging by using two approaches based on solvent-free extraction, i.e., solid-phase microextraction sampling and pyrolyzer/thermal desorption coupled with gas chromatography mass spectrometry. Volatile and semi-volatile intentionally and non-intentionally added substances were detected in seven packaging samples made of polypropylene, polyethylene, and styrene-acrylonitrile copolymer. Thirty-five compounds related to the polymers industry or packaging industry were identified, among them phthalates, alkanes, styrene, and cyanide derivates including degradation products, impurities, additives, plasticizers, and monomers. All except eight belong to the Cramer class I. These thermodesorption techniques are complementary to those used for migration tests.
All-Solid-State Lithium Ion Batteries Using Self-Organized TiO2 Nanotubes Grown from Ti-6Al-4V Alloy
Authors: Sugiawati Vinsensia Ade , Vacandio Florence , Djenizian Thierry
Published: May 2020

All-solid-state batteries were fabricated by assembling a layer of self-organized TiO2 nanotubes grown on as anode, a thin-film of polymer as an electrolyte and separator, and a layer of composite LiFePO4 as a cathode. The synthesis of self-organized TiO2 NTs from Ti-6Al-4V alloy was carried out via one-step electrochemical anodization in a fluoride ethylene glycol containing electrolytes. The electrodeposition of the polymer electrolyte onto anatase TiO2 NTs was performed by cyclic voltammetry. The anodized Ti-6Al-4V alloys were characterized by scanning electron microscopy and X-ray diffraction. The electrochemical properties of the anodized Ti-6Al-4V alloys were investigated by cyclic voltammetry and chronopotentiometry techniques. The full-cell shows a high first-cycle Coulombic efficiency of 96.8% with a capacity retention of 97.4% after 50 cycles and delivers a stable discharge capacity of 63 μAh cm−2 μm−1 (119 mAh g−1) at a kinetic rate of C/10.
Solubility Data and Computational Modeling of Baricitinib in Various (DMSO + Water) Mixtures
Authors: M. Alshahrani Saad , Shakeel Faiyaz
Published: May 2020

The solubility and thermodynamic analysis of baricitinib (BNB) in various dimethyl sulfoxide (DMSO) + water mixtures were performed. The “mole fraction solubilities (xe)” of BNB in DMSO and water mixtures were determined at “T = 298.2–323.2 K” and “p = 0.1 MPa” using an isothermal saturation technique. “Hansen solubility parameters (HSPs)” of BNB, pure DMSO, pure water and “DMSO + water” mixtures free of BNB were also estimated. The xe data of BNB was regressed well by five different thermodynamics-based co-solvency models, which included “Apelblat, Van’t Hoff, Yalkowsky-Roseman, Jouyban-Acree and Jouyban-Acree-Van’t Hoff models” with overall deviations of <5.0%. The highest and lowest xe value of BNB was computed in pure DMSO (1.69 × 10−1 at T = 323.2 K) and pure water (2.23 × 10−5 at T = 298.2 K), respectively. The HSP of BNB was found to be closer to that of pure DMSO. Based on activity coefficient data, maximum solute–solvent molecular interactions were observed in BNB-DMSO compared to BNB-water. The results of “apparent thermodynamic analysis” indicated endothermic and entropy-drive dissolution of BNB in all “DMSO + water” combinations including mono-solvents (water and DMSO). “Enthalpy-entropy compensation analysis” showed enthalpy-driven to be the main mechanism of solvation of BNB.
Determination of Metals in Tree Rings by ICP-MS Using Ash from a Direct Mercury Analyzer
Authors: Jeon Byunggwon , Cizdziel James V.
Published: May 2020

Elemental profiles in cores of tree trunks (bole wood) have been used for environmental monitoring and reconstruction of metal pollution history. Mercury (Hg) is a global pollutant that can be accurately measured in tree rings in a simple and pragmatic fashion using a direct mercury analyzer (DMA) that is based on thermal decomposition, amalgamation, and atomic absorption spectrophotometry. In this feasibility study, we demonstrate that the ash remaining after the DMA analyses can be used to quantify a wide range of other non-volatile elements (Ba, Be, Co, Cr, Cu, Fe, Ga, Mg, Mn, Ni, Pb, Sr, Th, and U) in that same sample of wood by inductively coupled plasma mass spectrometry (ICP-MS) after microwave-assisted acid digestion. Other elements (Ag, Cd, Cs, Rb, Tl, and V) exhibited poor recoveries, possibly due to losses during sample preparation. We assessed the accuracy with reference materials, spikes, and by comparison with EPA Method 3052 (Microwave Assisted Acid Digestion of Siliceous and Organically Based Matrices). For the first group of elements (deemed suitable for the method), recoveries ranged between 80% and 120% and the relative standard deviation was generally < 15%, indicating acceptable precision. We applied the method to five species of trees: eastern red cedar (Juniperus virginiana), loblolly pine (Pinus taeda), shortleaf pine (Pinus echinata), white oak (Quercus alba), and tulip poplar (Liriodendron tulipifera) from Holly Springs National Forest in north Mississippi, USA. Mercury concentrations (ng/g ± SE) were highest in the cedar (1.8 ± 0.3; n = 5), followed by loblolly pine (1.6 ± 0.3, n = 3), shortleaf pine (1.2 ± 0.2; n = 3), oak (1.1 ± 0.2; n = 5), and poplar (0.5 ± 0.1; n = 5). Concentrations of other elements were generally Fe > Mg > Ba ≈ Sr ≈ Mn > Cr ≈ Cu > Ni ≈ Rb > Co > Ga ≈ Ag, with the other elements generally below the method detection limit (MDL). Overall, we showed that the DMA can be used to not only determine total Hg in segments of tree core, but can serve as the ashing step in the preparation of wood for ICP-MS analysis, thus allowing the determination of non-volatile elements along with Hg in the very same sample.
Valorisation of By-Products from Soybean (Glycine max (L.) Merr.) Processing
Authors: Colletti Alessandro , Attrovio Andrea , Boffa Luisa , Mantegna Stefano , Cravotto Giancarlo
Published: May 2020

In recent years, increased awareness of the health benefits associated with consuming soy-based foods, knowledge of milk-related allergies and a move towards more sustainable food production have led to an increase in the number of available soy-based products. The biggest producers in the world, the USA, South America and China, are from the Pacific region. This enormous production is accompanied by the accumulation of related by-products, in particular, a substance that is known as okara. Okara is a paste that is rich in fibre (50%), protein (25%), fat (10%), vitamins and trace elements. Its proper use would lead to economic advantages and a reduction in the potential for polluting the environment. Its high fibre content and low production costs mean that it could also be used as a dietary supplement to prevent diabetes, obesity and hyperlipidaemia. Chemical or enzymatic treatment, fermentation, extrusion, high pressure and micronisation can all increase the soluble fibre content, and thus improve nutritional quality and processing properties. However, the product also degrades rapidly due to its high moisture content (70–80%), which makes it difficult to handle and expensive to dry by conventional means. The aim of this paper is therefore to thoroughly study the existing literature on this subject in order to develop a general protocol for okara exploitation and valorisation. A cost/benefit analysis could drive the design of eco-friendly, sustainable protocols for the preparation of high-value nutritional products.
In Vitro Bioaccessibility and Antioxidant Activity of Coffee Silverskin Polyphenolic Extract and Characterization of Bioactive Compounds Using UHPLC-Q-Orbitrap HRMS
Authors: Castaldo Luigi , Narváez Alfonso , Izzo Luana , Graziani Giulia , Ritieni Alberto
Published: May 2020

Coffee silverskin (CS), the main by-product in the coffee industry, contains a vast number of human health-related compounds, which may justify its exploitation as a functional food ingredient. This study aimed to provide a comprehensive analysis of the polyphenolic and alkaloid profile through UHPLC-Q-Orbitrap HRMS analysis. The bioaccessibility of total phenolic compounds and changes in the antioxidant activity during an in vitro gastrointestinal digestion were also evaluated through spectrophotometric tests (TPC by Folin-Ciocalteu, ABTS, DPPH, and FRAP), to elucidate their efficacy for future applications in the nutraceutical industry. Caffeoylquinic and feruloylquinic acids were the most representative polyphenols, with a mean concentration of 5.93 and 4.25 mg/g, respectively. Results showed a high content of caffeine in the analyzed CS extracts, with a mean value of 31.2 mg/g, meaning a two-fold increase when compared to coffee brews. Our findings highlighted that both the bioaccessibility and antioxidant activity of CS polyphenols significantly increased in each in vitro gastrointestinal digestion stage. In addition, the colon stage might constitute the main biological site of action of these antioxidant compounds. These results suggest that in vivo, the dietary polyphenols from CS might be metabolized by human colonic microflora, generating metabolites with a greater antioxidant activity, increasing their well-known beneficial effects.
Chemical Composition, Antifungal and Insecticidal Activities of the Essential Oils from Tunisian Clinopodium nepeta subsp. nepeta and Clinopodium nepeta subsp. glandulosum
Authors: Debbabi Haïfa , El Mokni Ridha , Chaieb Ikbal , Nardoni Simona , Maggi Filippo , Caprioli Giovanni , Hammami Saoussen
Published: May 2020

The present investigation was focused on the study of the chemical composition variability and biological activities of the essential oils from Clinopodium nepeta subsp. nepeta and subsp. glandulosum. Essential oils extraction was performed using hydrodistillation and the separation of the constituents was carried out by gas chromatography coupled with mass spectrometry (GC-MS). Antifungal activities were tested against Aspergillus flavus, Aspergillus terreus, Microsporum canis, Microsporum gypseum, Trichophyton mentagrophytes, and Candida albicans. Toxicity and repellency were evaluated against the stored product pests Tribolium confusum and Sitophilus zeamais. Both essential oils were characterized by a high content of oxygenated monoterpenes. Piperitone ranks first in the subspecies nepeta and piperitenone oxide is the dominant constituent in the subspecies glandulosum. All tested samples displayed noteworthy antifungal properties, with the highest activity observed for the essential oil of C. nepeta subsp. glandulosum, collected in Béni-M’tir, against T. mentagrophytes (MIC = 40 µg/mL). The essential oil samples of C. nepeta subsp. glandulosum were strongly repellent to the insect species (PR > 80%, after 2h) and highly toxic to S. zeamais reaching 97.5%–100% mortality after 24 h of exposure. In conclusion, this study showed considerable intra-specific changes in the quality of C. nepeta essential oils, which is reflected in different rates of antifungal and insecticidal activity.
Influence of Different Modalities of Grape Withering on Volatile Compounds of Young and Aged Corvina Wines
Authors: Slaghenaufi Davide , Boscaini Anita , Prandi Alessandro , Dal Cin Andrea , Zandonà Vittorio , Luzzini Giovanni , Ugliano Maurizio
Published: May 2020

Withering is a practice traditionally used in various regions to produce sweet or dry wines. During withering there is an increase in sugar content but also a modification in volatile compound profiles. Controlling metabolic changes through the dehydration process to obtain wines with desired characteristics is therefore a challenging opportunity. The effects of two different withering technologies, post-harvest or on-vine with blocked sap vessel flow, on the volatile profile of young and aged Corvina red wines was investigated. The results showed that modulation of wine aroma due to the withering process is associated with fermentative metabolites, such as esters, higher alcohols, and acids, as well as grape-related compounds such as C6 alcohols, terpenes and norisoprenoids. Significant differences were also found by comparing the two withering techniques. Post-harvest in a traditional “fruttaio” warehouse wines showed higher content of ethyl acetate, ethyl butanoate, β-citronellol and 3-oxo-α-ionol, whereas post-harvest withering on-vine increased β-damascenone in wines. The type of withering technique has an influence on the evolution of some aroma compounds during the aging of wine, among them linalool, (E)-1-(2,3,6-trimethylphenyl)buta-1,3-diene (TPB), n-hexyl acetate, ethyl acetate, ethyl 3-methylbutanoate, 3-oxo-α-ionol and β-damascenone.
Indirect Competitive Determination of Tetracycline Residue in Honey Using an Ultrasensitive Gold-Nanoparticle-Linked Aptamer Assay
Authors: Sheng Yan-Mei , Liang Jian , Xie Jing
Published: May 2020

Tetracycline residue in honey has become an increasingly important food safety problem. In this work, an ultrasensitive gold nanoparticles (AuNPs)-linked aptamer assay was developed to determine the tetracycline residue in honey. First, a tetracycline–bovine serum albumin conjugate coating was applied to a microplate. Then, with the incubation of AuNPs-linked aptamer, the fixed tetracycline in the microplate competed for the limited aptamer with the free tetracycline in the sample. Higher amounts of free tetracycline in the sample were associated with more competitive binding of aptamer-AuNPs, and the aptamer-AuNPs binding with tetracycline-BSA was lower. Finally, as a kind of nanozyme, AuNPs exhibited peroxidase activity and oxidized 3,3′,5,5′-tetramethylbenzidine, transforming it from colorless to blue, and achieving the measurement at 652 nm. The analytical performance—including linearity, limit of detection, selectivity, precision, repeatability, and accuracy—has been investigated. It was successfully applied to the determination of tetracycline in honey samples with high accuracy and sensitivity.
Design of Calcium-Binding Proteins to Sense Calcium
Authors: Tang Shen , Deng Xiaonan , Jiang Jie , Kirberger Michael , Yang Jenny J.
Published: May 2020

Calcium controls numerous biological processes by interacting with different classes of calcium binding proteins (CaBP’s), with different affinities, metal selectivities, kinetics, and calcium dependent conformational changes. Due to the diverse coordination chemistry of calcium, and complexity associated with protein folding and binding cooperativity, the rational design of CaBP’s was anticipated to present multiple challenges. In this paper we will first discuss applications of statistical analysis of calcium binding sites in proteins and subsequent development of algorithms to predict and identify calcium binding proteins. Next, we report efforts to identify key determinants for calcium binding affinity, cooperativity and calcium dependent conformational changes using grafting and protein design. Finally, we report recent advances in designing protein calcium sensors to capture calcium dynamics in various cellular environments.
Extraction and Quantification of Sulforaphane and Indole-3-Carbinol from Rapeseed Tissues Using QuEChERS Coupled with UHPLC-MS/MS
Authors: Yu Xu , Ma Fei , Zhang Liangxiao , Li Peiwu
Published: May 2020

Rapeseed (Brassica napus L.) is rich in phenols, vitamins, carotenoids, and mineral elements, such as selenium. Additionally, it contains the active ingredients sulforaphane and indole-3-carbinol, which have been demonstrated to have pharmacological effects. In this study, sulforaphane and indole-3-carbinol were extracted and quantified from rapeseeds using quick, easy, cheap, effective, rugged and safe (QuEChERS) method coupled with ultra high performance liquid chromarography tandem mass spectrometry (UHPLC-MS/MS). The major parameters for extraction and purification efficiency were optimized, including the hydrolysis reaction, extraction condition and type and amount of purification adsorbents. The limit of detection (LOD) and the limit of quantification (LOQ) for sulforaphane were 0.05 μg/kg and 0.15 μg/kg, and for indole-3-carbinol were 5 μg/kg and 15 μg/kg, respectively. The developed method was used to successfully analyze fifty rapeseed samples. The QuEChERS coupled with UHPLC-MS/MS simultaneously detect sulforaphane and indole-3-carbinol in vegetable matrix and evaluate the quality and nutrition of rapeseed samples.
Dimerization of Acetic Acid in the Gas Phase—NMR Experiments and Quantum-Chemical Calculations
Authors: Socha Ondřej , Dračínský Martin
Published: May 2020

Due to the nature of the carboxylic group, acetic acid can serve as both a donor and acceptor of a hydrogen bond. Gaseous acetic acid is known to form cyclic dimers with two strong hydrogen bonds. However, trimeric and various oligomeric structures have also been hypothesized to exist in both the gas and liquid phases of acetic acid. In this work, a combination of gas-phase NMR experiments and advanced computational approaches were employed in order to validate the basic dimerization model of gaseous acetic acid. The gas-phase experiments performed in a glass tube revealed interactions of acetic acid with the glass surface. On the other hand, variable-temperature and variable-pressure NMR parameters obtained for acetic acid in a polymer insert provided thermodynamic parameters that were in excellent agreement with the MP2 (the second order Møller–Plesset perturbation theory) and CCSD(T) (coupled cluster with single, double and perturbative triple excitation) calculations based on the basic dimerization model. A slight disparity between the theoretical dimerization model and the experimental data was revealed only at low temperatures. This observation might indicate the presence of other, entropically disfavored, supramolecular structures at low temperatures.
Automated Large-Scale Production of Paclitaxel Loaded Mesenchymal Stromal Cells for Cell Therapy Applications
Authors: Lisini Daniela , Nava Sara , Frigerio Simona , Pogliani Simona , Maronati Guido , Marcianti Angela , Coccè Valentina , Bondiolotti Gianpietro , Cavicchini Loredana , Paino Francesca , Petrella Francesco , Alessandri Giulio , Parati Eugenio A. , Pessina Augusto
Published: May 2020

Mesenchymal stromal cells (MSCs) prepared as advanced therapies medicinal products (ATMPs) have been widely used for the treatment of different diseases. The latest developments concern the possibility to use MSCs as carrier of molecules, including chemotherapeutic drugs. Taking advantage of their intrinsic homing feature, MSCs may improve drugs localization in the disease area. However, for cell therapy applications, a significant number of MSCs loaded with the drug is required. We here investigate the possibility to produce a large amount of Good Manufacturing Practice (GMP)-compliant MSCs loaded with the chemotherapeutic drug Paclitaxel (MSCs-PTX), using a closed bioreactor system. Cells were obtained starting from 13 adipose tissue lipoaspirates. All samples were characterized in terms of number/viability, morphology, growth kinetics, and immunophenotype. The ability of MSCs to internalize PTX as well as the antiproliferative activity of the MSCs-PTX in vitro was also assessed. The results demonstrate that our approach allows a large scale expansion of cells within a week; the MSCs-PTX, despite a different morphology from MSCs, displayed the typical features of MSCs in terms of viability, adhesion capacity, and phenotype. In addition, MSCs showed the ability to internalize PTX and finally to kill cancer cells, inhibiting the proliferation of tumor lines in vitro. In summary our results demonstrate for the first time that it is possible to obtain, in a short time, large amounts of MSCs loaded with PTX to be used in clinical trials for the treatment of patients with oncological diseases.
Pharmaceutical Particulates and Membranes for the Delivery of Drugs and Bioactive Molecules
Authors: Das Diganta B. , Mabrouk Mostafa , Beherei Hanan H. , Arthanareeswaran G.
Published: May 2020

The delivery of drugs and bioactive molecules using pharmaceutical particulates and membranes are of great significance for various applications such as the treatment of secondary infections, cancer treatment, skin regeneration, orthopedic applications and others [...]
Automated Real-Time Tumor Pharmacokinetic Profiling in 3D Models: A Novel Approach for Personalized Medicine
Authors: Joseph Jan F. , Gronbach Leonie , García-Miller Jill , Cruz Leticia M. , Wuest Bernhard , Keilholz Ulrich , Zoschke Christian , Parr Maria K.
Published: May 2020

Cancer treatment often lacks individual dose adaptation, contributing to insufficient efficacy and severe side effects. Thus, personalized approaches are highly desired. Although various analytical techniques are established to determine drug levels in preclinical models, they are limited in the automated real-time acquisition of pharmacokinetic profiles. Therefore, an online UHPLC-MS/MS system for quantitation of drug concentrations within 3D tumor oral mucosa models was generated. The integration of sampling ports into the 3D tumor models and their culture inside the autosampler allowed for real-time pharmacokinetic profiling without additional sample preparation. Docetaxel quantitation was validated according to EMA guidelines. The tumor models recapitulated the morphology of head-and-neck cancer and the dose-dependent tumor reduction following docetaxel treatment. The administration of four different docetaxel concentrations resulted in comparable courses of concentration versus time curves for 96 h. In conclusion, this proof-of-concept study demonstrated the feasibility of real-time monitoring of drug levels in 3D tumor models without any sample preparation. The inclusion of patient-derived tumor cells into our models may further optimize the pharmacotherapy of cancer patients by efficiently delivering personalized data of the target tissue.
Pyrrolylquinoxaline-2-One Derivative as a Potent Therapeutic Factor for Brain Trauma Rehabilitation
Authors: Dutysheva Elizaveta A. , Mikeladze Marina A. , Trestsova Maria A. , Aksenov Nikolay D. , Utepova Irina A. , Mikhaylova Elena R. , Suezov Roman V. , Charushin Valery N. , Chupakhin Oleg N. , Guzhova Irina V. , Margulis Boris A. , Lazarev Vladimir F.
Published: May 2020

Traumatic brain injury (TBI) often causes massive brain cell death accompanied by the accumulation of toxic factors in interstitial and cerebrospinal fluids. The persistence of the damaged brain area is not transient and may occur within days and weeks. Chaperone Hsp70 is known for its cytoprotective and antiapoptotic activity, and thus, a therapeutic approach based on chemically induced Hsp70 expression may become a promising approach to lower post-traumatic complications. To simulate the processes of secondary damage, we used an animal model of TBI and a cell model based on the cultivation of target cells in the presence of cerebrospinal fluid (CSF) from injured rats. Here we present a novel low molecular weight substance, PQ-29, which induces the synthesis of Hsp70 and empowers the resistance of rat C6 glioma cells to the cytotoxic effect of rat cerebrospinal fluid taken from rats subjected to TBI. In an animal model of TBI, PQ-29 elevated the Hsp70 level in brain cells and significantly slowed the process of the apoptosis in acceptor cells in response to cerebrospinal fluid action. The compound was also shown to rescue the motor function of traumatized rats, thus proving its potential application in rehabilitation therapy after TBI.
Interpretation of Drug Interaction Using Systemic and Local Tissue Exposure Changes
Authors: Choi Young Hee
Published: May 2020

Systemic exposure of a drug is generally associated with its pharmacodynamic (PD) effect (e.g., efficacy and toxicity). In this regard, the change in area under the plasma concentration-time curve (AUC) of a drug, representing its systemic exposure, has been mainly considered in evaluation of drug-drug interactions (DDIs). Besides the systemic exposure, the drug concentration in the tissues has emerged as a factor to alter the PD effects. In this review, the status of systemic exposure, and/or tissue exposure changes in DDIs, were discussed based on the recent reports dealing with transporters and/or metabolic enzymes mediating DDIs. Particularly, the tissue concentration in the intestine, liver and kidney were referred to as important factors of PK-based DDIs.
Characterization of Phenolic Acid Antimicrobial and Antioxidant Structure–Property Relationships
Authors: Liu Jingyi , Du Changling , Beaman Henry T. , Monroe Mary Beth B.
Published: May 2020

Plant-derived phenolic acids (PAs) are small molecules with antimicrobial, antioxidant, anti-inflammatory, and pro-coagulant properties. Their chemistry enables facile potential incorporation into biomaterial scaffolds to provide naturally-derived functionalities that could improve healing outcomes. While PAs have been previously characterized, their structure-property relationships in terms of antioxidant and antimicrobial properties are not well-understood, particularly in the context of their use in medical applications. To that end, a library of PAs with varied pendant groups was characterized here. It was found that increasing the number of radical-scavenging hydroxyl and methoxy groups on PAs increased antioxidant properties. All PAs showed some antimicrobial activity against the selected bacteria strains (Escherichia coli, Staphylococcus epidermidis (native and drug-resistant), and Staphylococcus aureus (native and drug-resistant)) at concentrations that are feasible for incorporation into polymeric biomaterials. In general, a trend of slightly decreased antimicrobial efficacy with increased number of pendant hydroxyl and methoxy groups was observed. The carboxylic acid group of a selection of PAs was modified with a polyurethane monomer analog. Modification did not greatly affect antioxidant or antimicrobial properties in comparison to unmodified controls, indicating that the carboxylic acid group of PAs can be altered without losing functionality. These results could be utilized for rational selection of phenolic moieties for use as therapeutics on their own or as part of a biomaterial scaffold with desired healing outcomes.
Encapsulating TGF-β1 Inhibitory Peptides P17 and P144 as a Promising Strategy to Facilitate Their Dissolution and to Improve Their Functionalization
Authors: Hanafy Nemany A. N. , Fabregat Isabel , Leporatti Stefano , El Kemary Maged
Published: May 2020

Transforming growth factor-beta (TGFβ1) is considered as a master regulator for many intracellular signaling pathways, including proliferation, differentiation and death, both in health and disease. It further represents an oncogenic factor in advanced tumors allowing cancer cells to be more invasive and prone to move into the metastatic process. This finding has received great attention for discovering new therapeutic molecules against the TGFβ1 pathway. Among many TGFβ1 inhibitors, peptides (P17 and P144) were designed to block the TGFβ1 pathway. However, their therapeutic applications have limited use, due to lack of selection for their targets and their possible recognition by the immune system and further due to their potential cytotoxicity on healthy cells. Besides that, P144 is a highly hydrophobic molecule with less dissolution even in organic solution. Here, we aimed to overcome the dissolution of P144, as well as design nano-delivery strategies to protect normal cells, to increase cellular penetration and to raise the targeted therapy of both P17 and P144. Peptides were encapsulated in moieties of polymer hybrid protein. Their assembly was investigated by TEM, microplate spectrum analysis and fluorescence microscopy. SMAD phosphorylation was analyzed by Western blot as a hallmark of their biological efficiency. The results showed that the encapsulation of P17 and P144 might improve their potential therapeutic applications.
Extracellular-Ca2+-Induced Decrease in Small Molecule Electrotransfer Efficiency: Comparison between Microsecond and Nanosecond Electric Pulses
Authors: Navickaite Diana , Ruzgys Paulius , Novickij Vitalij , Jakutaviciute Milda , Maciulevicius Martynas , Sinceviciute Ruta , Satkauskas Saulius
Published: May 2020

Electroporation—a transient electric-field-induced increase in cell membrane permeability—can be used to facilitate the delivery of anticancer drugs for antitumour electrochemotherapy. In recent years, Ca2+ electroporation has emerged as an alternative modality to electrochemotherapy. The antitumor effect of calcium electroporation is achieved as a result of the introduction of supraphysiological calcium doses. However, calcium is also known to play a key role in membrane resealing, potentially altering the pore dynamics and molecular delivery during electroporation. To elucidate the role of calcium for the electrotransfer of small charged molecule into cell we have performed experiments using nano- and micro-second electric pulses. The results demonstrate that extracellular calcium ions inhibit the electrotransfer of small charged molecules. Experiments revealed that this effect is related to an increased rate of membrane resealing. We also employed mathematical modelling methods in order to explain the differences between the CaCl2 effects after the application of nano- and micro-second duration electric pulses. Simulation showed that these differences occur due to the changes in transmembrane voltage generation in response to the increase in specific conductivity when CaCl2 concentration is increased.
The Consequences of a Disruption in Cyto-Nuclear Coadaptation on the Molecular Response to a Nitrate Starvation in Arabidopsis
Authors: Chardon Fabien , Cueff Gwendal , Delannoy Etienne , Aubé Fabien , Lornac Aurélia , Bedu Magali , Gilard Françoise , Pateyron Stéphanie , Rogniaux Hélène , Gargaros Audrey , Mireau Hakim , Rajjou Loïc , Martin-Magniette Marie-Laure , Budar Françoise
Published: May 2020

Mitochondria and chloroplasts are important actors in the plant nutritional efficiency. So, it could be expected that a disruption of the coadaptation between nuclear and organellar genomes impact plant response to nutrient stresses. We addressed this issue using two Arabidopsis accessions, namely Ct-1 and Jea, and their reciprocal cytolines possessing the nuclear genome from one parent and the organellar genomes of the other one. We measured gene expression, and quantified proteins and metabolites under N starvation and non-limiting conditions. We observed a typical response to N starvation at the phenotype and molecular levels. The phenotypical response to N starvation was similar in the cytolines compared to the parents. However, we observed an effect of the disruption of genomic coadaptation at the molecular levels, distinct from the previously described responses to organellar stresses. Strikingly, genes differentially expressed in cytolines compared to parents were mainly repressed in the cytolines. These genes encoded more mitochondrial and nuclear proteins than randomly expected, while N starvation responsive ones were enriched in genes for chloroplast and nuclear proteins. In cytolines, the non-coadapted cytonuclear genomic combination tends to modulate the response to N starvation observed in the parental lines on various biological processes.
Barattiere: An Italian Local Variety of Cucumis melo L. with Quality Traits between Melon and Cucumber
Authors: Renna Massimiliano , D’Imperio Massimiliano , Gonnella Maria , Parente Angelo , Santamaria Pietro , Serio Francesco
Published: May 2020

Barattiere, belonging to the Cucumis melo L. species, is a local variety of Puglia (Southern Italy), which is consumed as a vegetable at the immature stage, like cucumber. In this study, three Barattiere populations (‘Monopoli’, ‘Carovigno’ and ‘Fasano’) were evaluated for the main quality traits. All genotypes showed a very light green-yellow colour of flesh, without any difference regarding chlorophyll and carotenoid contents. Carovigno’s Barattiere showed the highest values of dry weight (6.8 g 100 g−1 fresh weight - FW), sugars (45 g kg−1 FW), and sweetness index (7.3), while Monopoli’s Barattiere showed the lowest total phenols content (21 mg kg−1 FW). Fasano’s Barattiere showed the highest content of Zn and Cu (2.3 and 0.3 mg kg−1 FW, respectively), while ‘Monopoli’ showed the highest Ba content (0.3 mg kg−1 FW) and the lowest Mg content (94 mg kg−1 FW). No differences between populations were found concerning the content of Ca, K, Na, B, Mn, and Fe. In conclusion, the quality profile of Barattiere makes this local genotype interesting for its traits, and also suggests its consumption by people with specific dietary requirements.
Does Storage under Gene Bank Conditions Affect Seed Germination and Seedling Growth? The Case of Senecio morisii (Asteraceae), a Vascular Plant Exclusive to Sardinian Water Meadows
Authors: Cuena-Lombraña Alba , Sanna Martina , Porceddu Marco , Bacchetta Gianluigi
Published: May 2020

Understanding seed viability under long-term storage conditions provides basic and useful information to investigate the effectiveness of seed banking. Besides the germination success, seedling establishment is also an important requirement, and a decisive step to ensure plant propagation. We used comparative data of germination, seedling growth, and survival percentage between fresh and 10-years-stored seeds of Senecio morisii, a narrow endemic and vulnerable species of Sardinia (Italy), in order to evaluate if differences exist in these traits between fresh and 10-years-stored seeds. Stored seeds showed higher germination percentages than fresh ones, whereas seedling growth and survival did not present significant differences between them, except for seedling growth in plants produced from seeds germinated at 25 °C. This study allowed us to assess if seeds of S. morisii were able to germinate under controlled conditions, and if they maintained their viability and germination capacity for at least 10 years of long-term storage in the seed bank. In addition, the high seedling survival detected in both fresh and stored seeds suggests that stored seeds of S. morisii can be used to support reinforcement or reintroduction actions when fresh materials are not available.
Mechanical Signaling in the Sensitive Plant Mimosa pudica L.
Authors: Hagihara Takuma , Toyota Masatsugu
Published: May 2020

As sessile organisms, plants do not possess the nerves and muscles that facilitate movement in most animals. However, several plant species can move quickly in response to various stimuli (e.g., touch). One such plant species, Mimosa pudica L., possesses the motor organ pulvinus at the junction of the leaflet-rachilla, rachilla-petiole, and petiole-stem, and upon mechanical stimulation, this organ immediately closes the leaflets and moves the petiole. Previous electrophysiological studies have demonstrated that a long-distance and rapid electrical signal propagates through M. pudica in response to mechanical stimulation. Furthermore, the spatial and temporal patterns of the action potential in the pulvinar motor cells were found to be closely correlated with rapid movements. In this review, we summarize findings from past research and discuss the mechanisms underlying long-distance signal transduction in M. pudica. We also propose a model in which the action potential, followed by water flux (i.e., a loss of turgor pressure) in the pulvinar motor cells is a critical step to enable rapid movement.
Contrasting Photo-Switching Rates in Azobenzene Derivatives: How the Nature of the Substituent Plays a Role
Authors: Pirone Domenico , Bandeira Nuno A. G. , Tylkowski Bartosz , Boswell Emily , Labeque Regine , Garcia Valls Ricard , Giamberini Marta
Published: May 2020

A molecular design approach was used to create asymmetrical visible light-triggered azo-derivatives that can be good candidates for polymer functionalization. The specific electron–donor substituted molecules were characterized and studied by means of NMR analyses and UV-visible spectroscopy, comparing the results with Time Dependent Density Functional (TD-DFT) calculations. A slow rate of isomerization (ki = 1.5 × 10−4 s−1) was discovered for 4-((2-hydroxy-5methylphenyl) diazenyl)-3-methoxybenzoic acid (AZO1). By methylating this moiety, it was possible to unlock the isomerization mechanism for the second molecule, methyl 3-methoxy-4-((2-methoxy-5-methylphenyl) diazenyl)benzoate (AZO2), reaching promising isomerization rates with visible light irradiation in different solvents. It was discovered that this rate was heightened by one order of magnitude (ki = 3.1 × 10−3 s−1) for AZO2. A computational analysis using density functional (DFT/PBE0) and wavefunction (QD-NEVPT2) methodologies provided insight into the photodynamics of these systems. Both molecules require excitation to the second (S2) excited state situated in the visible region to initiate the isomerization. Two classic mechanisms were considered, namely rotation and inversion, with the former being energetically more favorable. These azo-derivatives show potential that paves the way for future applications as building blocks of functional polymers. Likewise, they could be really effective for the modification of existing commercial polymers, thus transferring their stimuli responsive properties to polymeric bulky structures, converting them into smart materials.
Electrospun Anion-Conducting Ionomer Fibers—Effect of Humidity on Final Properties
Authors: Halabi Manar , Mann-Lahav Meirav , Beilin Vadim , Shter Gennady E. , Elishav Oren , Grader Gideon S. , Dekel Dario R.
Published: May 2020

Anion-conducting ionomer-based nanofibers mats are prepared by electrospinning (ES) technique. Depending on the relative humidity (RH) during the ES process (RHES), ionomer nanofibers with different morphologies are obtained. The effect of relative humidity on the ionomer nanofibers morphology, ionic conductivity, and water uptake (WU) is studied. A branching effect in the ES fibers found to occur mostly at RHES < 30% is discussed. The anion conductivity and WU of the ionomer electrospun mats prepared at the lowest RHES are found to be higher than in those prepared at higher RHES. This effect can be ascribed to the large diameter of the ionomer fibers, which have a higher WU. Understanding the effect of RH during the ES process on ionomer-based fibers’ properties is critical for the preparation of electrospun fiber mats for specific applications, such as electrochemical devices.
Electrospinning of Cellulose Nanocrystal-Reinforced Polyurethane Fibrous Mats
Authors: Redondo Alexandre , Jang Daseul , Korley LaShanda T. J. , Gunkel Ilja , Steiner Ullrich
Published: May 2020

We report the electrospinning of mechanically-tunable, cellulose nanocrystal (CNC)-reinforced polyurethanes (PUs). Using high-aspect ratio CNCs from tunicates, the stiffness and strength of electrospun PU/CNC mats are shown to generally increase. Furthermore, by tuning the electrospinning conditions, fibrous PU/CNC mats were created with either aligned or non-aligned fibers, as confirmed by scanning electron microscopy. PU/CNC mats having fibers aligned in the strain direction were stiffer and stronger compared to mats containing non-aligned fibers. Interestingly, fiber alignment was accompanied by an anisotropic orientation of the CNCs, as confirmed by wide-angle X-ray scattering, implying their alignment additionally benefits both stiffness and strength of fibrous PU/CNC nanocomposite mats. These findings suggest that CNC alignment could serve as an additional reinforcement mechanism in the design of stronger fibrous nanocomposite mats.
Synthesis of Copper(II) Trimesinate Coordination Polymer and Its Use as a Sorbent for Organic Dyes and a Precursor for Nanostructured Material
Authors: Dzhardimalieva Gulzhian I. , Baimuratova Rose K. , Knerelman Evgeniya I. , Davydova Galina I. , Kudaibergenov Sarkyt E. , Kharissova Oxana V. , Zhinzhilo Vladimir A. , Uflyand Igor E.
Published: May 2020

Several important synthesis pathways for metal-organic frameworks (MOFs) were applied to determine how the synthesis methods and conditions affect the structure and adsorption capacity of the resulting samples. In the present work, three different synthesis routes were used to obtain copper trimesinate coordination polymer: Slow evaporation (A), solvothermal synthesis using a polyethylene glycol (PEG-1500) modulator (B), and green synthesis in water (C). This MOF was characterized by elemental analysis, infrared spectrometry, X-ray diffraction, scanning electron microscopy, thermogravimetry and volumetric nitrogen adsorption/desorption. The samples have permanent porosity and a microporous structure with a large surface area corresponding to the adsorption type I. The obtained MOF was tested as a sorbent to remove organic dyes methylene blue (МВ), Congo red (CR) and methyl violet (MV) as examples. Dye adsorption followed pseudo-first-order kinetics. The equilibrium data were fitted to the Langmuir and Freundlich isotherm models, and the isotherm constants were determined. Thermodynamic parameters, such as changes in the free energy of adsorption (∆G0), enthalpy (∆H0), and entropy (∆S0), were calculated. Thermolysis of copper trimesinate leads to the formation of carbon materials Cu@C with a high purity.
Plasma-Polymer-Fluorocarbon Thin Film Coated Nanostructured-Polyethylene Terephthalate Surface with Highly Durable Superhydrophobic and Antireflective Properties
Authors: Cho Eunmi , Kim Mac , Park Jin-Seong , Lee Sang-Jin
Published: May 2020

Herein, an antireflection and superhydrophobic film was obtained by uniformly forming nanostructures on the surface of polyethylene terephthalate (PET) substrate using oxygen plasma without a pattern mask and coating plasma-polymer-fluorocarbon (PPFC) on the nanostructured surface by mid-range frequency sputtering. PPFC/nanostructured-PET showed a reflectance of 4.2%, which is 56% lower than that of the PET film. Haze was also improved. Nanostructured-PET exhibited a superhydrophilic surface due to plasma deformation and a superhydrophobic surface could be realized by coating PPFC on the nanostructured surface. The PPFC coating prevented the aging of polymer film nanostructures and showed excellent durability in a high-temperature and high-humidity environment. It exhibited excellent flexibility to maintain the superhydrophobic surface, even at a mechanical bending radius of 1 mm, and could retain its properties even after repeated bending for 10,000 times.
Impact of Spacer Nature and Counter Ions on Rheological Behavior of Novel Polymer-Cationic Gemini Surfactant Systems at High Temperature
Authors: Kalam Shams , Kamal Muhammad Shahzad , Patil Shirish , Hussain Syed Muhammad Shakil
Published: May 2020

Compatible surfactant-polymer (SP) hybrid systems at high temperature are in great demand due to the necessity of chemical flooding in high-temperature oil reservoirs. The rheological properties of novel SP systems were studied. The SP system used in this study consists of a commercial polymer and four in-house synthesized polyoxyethylene cationic gemini surfactants with various spacers (mono phenyl and biphenyl ring) and different counterions (bromide and chloride). The impact of surfactant concentration, spacer nature, counterions, and temperature on the rheological features of SP solutions was examined using oscillation and shear measurements. The results were compared with a pure commercial polymer. All surfactants exhibited good thermal stability in seawater with no precipitation. Shear viscosity and storage modulus were measured as a function of shear rate and angular frequency, respectively. The experimental results revealed that the novel SP solution with a mono phenyl and chloride counterions produces a better performance in comparison with the SP solution, which contains mono phenyl and bromide counterions. Moreover, the effect is enhanced when the mono phenyl ring is replaced with a biphenyl ring. Shear viscosity and storage modulus decrease by increasing surfactant concentration at the same temperature, due to the charge screening effect. Storage modulus and complex viscosity reduce by increasing the temperature at a constant angular frequency of 10 rad/s. Among all studied SP systems, a surfactant containing a biphenyl ring in the spacer with chloride as a counterion has the least effect on the shear viscosity of the polymer. This study improves the understanding of tuning the surfactant composition in making SP solutions with better rheological properties.
Study of Modified Area of Polymer Samples Exposed to a He Atmospheric Pressure Plasma Jet Using Different Treatment Conditions
Authors: C. Nishime Thalita M. , Wagner Robert , G. Kostov Konstantin
Published: May 2020

In the last decade atmospheric pressure plasma jets (APPJs) have been routinely employed for surface processing of polymers due to their capability of generating very reactive chemistry at near-ambient temperature conditions. Usually, the plasma jet modification effect spans over a limited area (typically a few cm²), therefore, for industrial applications, where treatment of large and irregular surfaces is needed, jet and/or sample manipulations are required. More specifically, for treating hollow objects, like pipes and containers, the plasma jet must be introduced inside of them. In this case, a normal jet incidence to treated surface is difficult if not impossible to maintain. In this paper, a plasma jet produced at the end of a long flexible plastic tube was used to treat polyethylene terephthalate (PET) samples with different incidence angles and using different process parameters. Decreasing the angle formed between the plasma plume and the substrate leads to increase in the modified area as detected by surface wettability analysis. The same trend was confirmed by the distribution of reactive oxygen species (ROS), expanding on starch-iodine-agar plates, where a greater area was covered when the APPJ was tilted. Additionally, UV-VUV irradiation profiles obtained from the plasma jet spreading on the surface confirms such behavior.