bluuebunny/crossref_metadata_2025 huggingface dataset:
Design of Fluorescent Coumarin-Hydroxamic Acid Derivatives as Inhibitors of HDACs: Synthesis, Anti-Proliferative Evaluation and Docking Studies
Authors: García Santiago , Mercado-Sánchez Itzel , Bahena Luis , Alcaraz Yolanda , García-Revilla Marco A. , Robles Juvencio , Santos-Martínez Nancy , Ordaz-Rosado David , García-Becerra Rocío , Vazquez Miguel A.
Published: November 2020

Coumarin-hydroxamic acid derivatives 7a–k were herein designed with a dual purpose: as antiproliferative agents and fluorescent probes. The compounds were synthesized in moderate yields (30–87%) through a simple methodology, biological evaluation was carried out on prostate (PC3) and breast cancer (BT-474 and MDA-MB-231) cell lines to determine the effects on cell proliferation and gene expression. For compounds 7c, 7e, 7f, 7i and 7j the inhibition of cancer cell proliferation was similar to that found with the reference compound at a comparable concentration (10 μM), in addition, their molecular docking studies performed on histone deacetylases 1, 6 and 8 showed strong binding to the respective active sites. In most cases, antiproliferative activity was accompanied by greater levels of cyclin-dependent kinase inhibitor p21, downregulation of the p53 tumor suppressor gene, and regulation of cyclin D1 gene expression. We conclude that compounds 7c, 7e, 7f, 7i and 7j may be considered as potential anticancer agents, considering their antiproliferative properties, their effect on the regulation of the genes, as well as their capacity to dock to the active sites. The fluorescent properties of compound 7j and 7k suggest that they can provide further insight into the mechanism of action.
(5-Hydroxy-4-oxo-2-styryl-4H-pyridin-1-yl)-acetic Acid Derivatives as Multifunctional Aldose Reductase Inhibitors
Authors: Chen Huan , Zhang Xin , Zhang Xiaonan , Liu Wenchao , Lei Yanqi , Zhu Changjin , Ma Bing
Published: November 2020

As rate-limited enzyme of polyol pathway, aldose reductase (ALR2) is one of the key inhibitory targets for alleviating diabetic complications. To reduce the toxic side effects of the inhibitors and to decrease the level of oxidative stress, the inhibitory selectivity towards ALR2 against detoxicating aldehyde reductase (ALR1) and antioxidant activity are included in the design of multifunctional ALR2 inhibitors. Hydroxypyridinone derivatives were designed, synthesized and evaluated their inhibitory behavior and antioxidant activity. Notably, {2-[2-(3,4-dihydroxy-phenyl)-vinyl]-5-hydroxy-4-oxo-4H-pyridin-1-yl}-acetic acid (7l) was the most potent, with IC50 values of 0.789 μM. Moreover, 7l showed excellent selectivity towards ALR2 with selectivity index 25.23, which was much higher than that of eparlestat (17.37), the positive control. More significantly, 7l performed powerful antioxidative action. At a concentration of 1 μM, phenolic compounds 7l scavenged DPPH radical with an inhibitory rate of 41.48%, which was much higher than that of the well-known antioxidant Trolox, at 11.89%. Besides, 7l remarkably suppressed lipid peroxidation with a rate of 88.76% at a concentration of 100 μM. The binding mode derived from molecular docking proved that the derivatives were tightly bound to the activate site, suggesting strongly inhibitory action of derivatives against ALR2. Therefore, these results provided an achievement of multifunctional ALR2 inhibitors capable with potency for both selective ALR2 inhibition and as antioxidants.
A Photoalkylative Fluorogenic Probe of Guttiferone A for Live Cell Imaging and Proteome Labeling in Plasmodium falciparum
Authors: Duval Romain , Cottet Kevin , Blaud Magali , Merckx Anaïs , Houzé Sandrine , Grellier Philippe , Lallemand Marie-Christine , Michel Sylvie
Published: November 2020

Guttiferone A (GA) 1, a polycyclic polyprenylated acylphloroglucinol (PPAP) isolated from the plant Symphonia globulifera (Clusiaceae), constitutes a novel hit in antimalarial drug discovery. PPAPs do not possess identified biochemical targets in malarial parasites up to now. Towards this aim, we designed and evaluated a natural product-derived photoactivatable probe AZC-GA 5, embedding a photoalkylative fluorogenic motif of the 7-azidocoumarin (AZC) type, devoted to studying the affinity proteins interacting with GA in Plasmodium falciparum. Probe 5 manifested a number of positive functional and biological features, such as (i) inhibitory activity in vitro against P. falciparum blood-stages that was superimposable to that of GA 1, dose–response photoalkylative fluorogenic properties (ii) in model conditions using bovine serum albumin (BSA) as an affinity protein surrogate, (iii) in live P. falciparum-infected erythrocytes, and (iv) in fresh P. falciparum cell lysate. Fluorogenic signals by photoactivated AZC-GA 5 in biological settings were markedly abolished in the presence of excess GA 1 as a competitor, indicating significant pharmacological specificity of the designed molecular probe relative to the native PPAP. These results open the way to identify the detected plasmodial proteins as putative drug targets for the natural product 1 by means of proteomic analysis.
Comparison of Maceration and Ultrasonication for Green Extraction of Phenolic Acids from Echinacea purpurea Aerial Parts
Authors: Momchev Plamen , Ciganović Petar , Jug Mario , Marguí Eva , Jablan Jasna , Zovko Končić Marijana
Published: November 2020

Echinacea purpurea is used in herbal medicinal products for the prevention and treatment of the common cold, as well as for skin disorders and minor wounds. In this study, the efficiency of traditional maceration using water and ethanol was compared with the maceration using mixtures of water and glycerol, a non-toxic, biodegradable solvent from renewable sources. It was found that the glycerol–water mixtures were as effective as ethanol/water mixtures for the extraction of caffeic acid derivatives. All the prepared extracts demonstrated notable antiradical properties. Furthermore, an efficient ultrasound-assisted extraction using glycerol–water mixtures was developed using six independent variables. Their levels needed for the maximum extraction of caffeic acid derivatives were as follows: glycerol 90% (m/m), temperature 70 °C, ultrasound power 72 W, time 40 min, and ascorbic acid 0 mg/mL. Under the optimized conditions, ultrasound-assisted extraction was superior to maceration. It achieved significantly higher yields of phenolic acids in shorter extraction time. The presence of zinc in plant material may contribute to the beneficial effects of E. purpurea preparations. Since glycerol is a non-toxic solvent with humectant properties, the prepared extracts can be directly used for the preparation of cosmetics or oral pharmaceutical formulations without the need for solvent removal.
Photo-Responsive Polymersomes as Drug Delivery System for Potential Medical Applications
Authors: Hou Wanting , Liu Ruiqi , Bi Siwei , He Qian , Wang Haibo , Gu Jun
Published: November 2020

Due to a strong retardation effect of o-nitrobenzyl ester on polymerization, it is still a great challenge to prepare amphiphilic block copolymers for polymersomes with a o-nitrobenzyl ester-based hydrophobic block. Herein, we present one such solution to prepare amphiphilic block copolymers with pure poly (o-nitrobenzyl acrylate) (PNBA) as the hydrophobic block and poly (N,N’-dimethylacrylamide) (PDMA) as the hydrophilic block using bulk reversible addition-fragmentation chain transfer (RAFT) polymerization of o-nitrobenzyl acrylate using a PDMA macro-RAFT agent. The developed amphiphilic block copolymers have a suitable hydrophobic/hydrophilic ratio and can self-assemble into photoresponsive polymersomes for co-loading hydrophobic and hydrophilic cargos into hydrophobic membranes and aqueous compartments of the polymersomes. The polymersomes demonstrate a clear photo-responsive characteristic. Exposure to light irradiation at 365 nm can trigger a photocleavage reaction of o-nitrobenzyl groups, which results in dissociation of the polymersomes with simultaneous co-release of hydrophilic and hydrophobic cargoes on demand. Therefore, these polymersomes have great potential as a smart drug delivery nanocarrier for controllable loading and releasing of hydrophilic and hydrophobic drug molecules. Moreover, taking advantage of the conditional releasing of hydrophilic and hydrophobic drugs, the drug delivery system has potential use in medical applications such as cancer therapy.
Metabolomic Profiling of Mango (Mangifera indica Linn) Leaf Extract and Its Intestinal Protective Effect and Antioxidant Activity in Different Biological Models
Authors: Ybañez-Julca Roberto O. , Asunción-Alvarez Daniel , Quispe-Díaz Ivan M. , Palacios Javier , Bórquez Jorge , Simirgiotis Mario J. , Perveen Shagufta , Nwokocha Chukwuemeka R. , Cifuentes Fredi , Paredes Adrián
Published: November 2020

Mangifera indica Linn popularly known as mango is used in folk medicine to treat gastrointestinal disorders. The aim of this study was to identify the metabolomic composition of lyophilized extract of mango leaf (MIE), to evaluate the antioxidant activity on several oxidative stress systems (DPPH, FRAP, TBARS, and ABTS), the spasmolytic and antispasmodic activity, and intestinal protective effect on oxidative stress induced by H2O2 in rat ileum. Twenty-nine metabolites were identified and characterized based on their ultra-high-performance liquid chromatography (UHPLC) high-resolution orbitrap mass spectrometry, these include: benzophenone derivatives, xanthones, phenolic acids, fatty acids, flavonoids and procyanidins. Extract demonstrated a high antioxidant activity in in-vitro assays. MIE relaxed (p < 0.001) intestinal segments of rat pre-contracted with acetylcholine (ACh) (10−5 M). Pre-incubation of intestinal segments with 100 µg/mL MIE significantly reduced (p < 0.001) the contraction to H2O2. Similar effects were observed with mangiferin and quercetin (10−5 M; p < 0.05) but not for gallic acid. Chronic treatment of rats with MIE (50 mg/kg) for 28 days significantly reduced (p < 0.001) the H2O2-induced contractions. MIE exhibited a strong antioxidant activity, spasmolytic and antispasmodic activity, which could contribute to its use as an alternative for the management of several intestinal diseases related to oxidative stress.
Graphene-Based One-Dimensional Terahertz Phononic Crystal: Band Structures and Surface Modes
Authors: Quotane Ilyasse , El Boudouti El Houssaine , Djafari-Rouhani Bahram
Published: November 2020

In this paper, we provide a theoretical and numerical study of the acoustic properties of infinite and semi-infinite superlattices made out of graphene-semiconductor bilayers. In addition to the band structure, we emphasize the existence and behavior of localized and resonant acoustic modes associated with the free surface of such structures. These modes are polarized in the sagittal plane, defined by the incident wavevector and the normal to the layers. The surface modes are obtained from the peaks of the density of states, either inside the bulk bands or inside the minigaps of the superlattice. In these structures, the two directions of vibrations (longitudinal and transverse) are coupled giving rise to two bulk bands associated with the two polarizations of the waves. The creation of the free surface of the superlattice induces true surface localized modes inside the terahertz acoustic forbidden gaps, but also pseudo-surface modes which appear as well-defined resonances inside the allowed bands of the superlattice. Despite the low thickness of the graphene layer, and though graphene is a gapless material, when it is inserted periodically in a semiconductor, it allows the opening of wide gaps for all values of the wave vector k// (parallel to the interfaces). Numerical illustrations of the band structures and surface modes are given for graphene-Si superlattices, and the surface layer can be either Si or graphene. These surface acoustic modes can be used to realize liquid or bio-sensors graphene-based phononic crystal operating in the THz frequency domain.
Preparation and Photocatalytic Performance for Degradation of Rhodamine B of AgPt/Bi4Ti3O12 Composites
Authors: Yuan Gaoqian , Zhang Gen , Li Kezhuo , Li Faliang , Cao Yunbo , He Jiangfeng , Huang Zhong , Jia Quanli , Zhang Shaowei , Zhang Haijun
Published: November 2020

Loading a noble metal on Bi4Ti3O12 could enable the formation of the Schottky barrier at the interface between the former and the latter, which causes electrons to be trapped and inhibits the recombination of photoelectrons and photoholes. In this paper, AgPt/Bi4Ti3O12 composite photocatalysts were prepared using the photoreduction method, and the effects of the type and content of noble metal on the photocatalytic performance of the catalysts were investigated. The photocatalytic degradation of rhodamine B (RhB) showed that the loading of AgPt bimetallic nanoparticles significantly improved the catalytic performance of Bi4Ti3O12. When 0.10 wt% noble metal was loaded, the degradation rate for RhB of Ag0.7Pt0.3/Bi4Ti3O12 was 0.027 min−1, which was respectively about 2, 1.7 and 3.7 times as that of Ag/Bi4Ti3O12, Pt/Bi3Ti4O12 and Bi4Ti3O12. The reasons may be attributed as follows: (i) the utilization of visible light was enhanced due to the surface plasmon resonance effect of Ag and Pt in the visible region; (ii) Ag nanoparticles mainly acted as electron acceptors to restrain the recombination of photogenerated electron-hole pairs under visible light irradiation; and (iii) Pt nanoparticles acted as electron cocatalysts to further suppress the recombination of photogenerated electron-hole pairs. The photocatalytic performance of Ag0.7Pt0.3/Bi4Ti3O12 was superior to that of Ag/Bi4Ti3O12 and Pt/Bi3Ti4O12 owing to the synergistic effect between Ag and Pt nanoparticles.
Strategies for Assessing Arbovirus Genetic Variability in Vectors and/or Mammals
Authors: Migné Camille Victoire , Moutailler Sara , Attoui Houssam
Published: November 2020

Animal arboviruses replicate in their invertebrate vectors and vertebrate hosts. They use several strategies to ensure replication/transmission. Their high mutation rates and propensity to generate recombinants and/or genome segment reassortments help them adapt to new hosts/emerge in new geographical areas. Studying arbovirus genetic variability has been used to identify indicators which predict their potential to adapt to new hosts and/or emergence and in particular quasi-species. Multiple studies conducted with insect-borne viruses laid the foundations for the “trade-off” hypothesis (alternation of host transmission cycle constrains arbovirus evolution). It was extrapolated to tick-borne viruses, where too few studies have been conducted, even though humans faced emergence of numerous tick-borne virus during the last decades. There is a paucity of information regarding genetic variability of these viruses. In addition, insects and ticks do not have similar lifecycles/lifestyles. Indeed, tick-borne viruses are longer associated with their vectors due to tick lifespan. The objectives of this review are: (i) to describe the state of the art for all strategies developed to study genetic variability of insect-borne viruses both in vitro and in vivo and potential applications to tick-borne viruses; and (ii) to highlight the specificities of arboviruses and vectors as a complex and diverse system.
Dopamine, Cognitive Impairments and Second-Generation Antipsychotics: From Mechanistic Advances to More Personalized Treatments
Authors: Torrisi Sebastiano Alfio , Laudani Samuele , Contarini Gabriella , De Luca Angelina , Geraci Federica , Managò Francesca , Papaleo Francesco , Salomone Salvatore , Drago Filippo , Leggio Gian Marco
Published: November 2020

The pharmacological treatment of cognitive impairments associated with schizophrenia is still a major unmet clinical need. Indeed, treatments with available antipsychotics generate highly variable cognitive responses among patients with schizophrenia. This has led to the general assumption that antipsychotics are ineffective on cognitive impairment, although personalized medicine and drug repurposing approaches might scale down this clinical issue. In this scenario, evidence suggests that cognitive improvement exerted by old and new atypical antipsychotics depends on dopaminergic mechanisms. Moreover, the newer antipsychotics brexpiprazole and cariprazine, which might have superior clinical efficacy on cognitive deficits over older antipsychotics, mainly target dopamine receptors. It is thus reasonable to assume that despite more than 50 years of elusive efforts to develop novel non-dopaminergic antipsychotics, dopamine receptors remain the most attractive and promising pharmacological targets in this field. In the present review, we discuss preclinical and clinical findings showing dopaminergic mechanisms as key players in the cognitive improvement induced by both atypical antipsychotics and potential antipsychotics. We also emphasize the concept that these mechanistic advances, which help to understand the heterogeneity of cognitive responses to antipsychotics, may properly guide treatment decisions and address the unmet medical need for the management of cognitive impairment associated with schizophrenia.
Synthesis and Glycosidase Inhibition Properties of Calix[8]arene-Based Iminosugar Click Clusters
Authors: Schneider Jérémy P. , Tommasone Stefano , Della Sala Paolo , Gaeta Carmine , Talotta Carmen , Tarnus Céline , Neri Placido , Bodlenner Anne , Compain Philippe
Published: November 2020

A set of 6- to 24-valent clusters was constructed with terminal deoxynojirimycin (DNJ) inhibitory heads through C6 or C9 linkers by way of Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reactions between mono- or trivalent azido-armed iminosugars and calix[8]arene scaffolds differing in their valency and their rigidity but not in their size. The power of multivalency to upgrade the inhibition potency of the weak DNJ inhibitor (monovalent DNJ Ki being at 322 and 188 µM for C6 or C9 linkers, respectively) was evaluated on the model glycosidase Jack Bean α-mannosidase (JBα-man). Although for the clusters with the shorter C6 linker the rigidity of the scaffold was essential, these parameters had no influence for clusters with C9 chains: all of them showed rather good relative affinity enhancements per inhibitory epitopes between 70 and 160 highlighting the sound combination of the calix[8]arene core and the long alkyl arms. Preliminary docking studies were performed to get insights into the preferred binding modes.
Development of a Sildenafil Citrate Microemulsion-Loaded Hydrogel as a Potential System for Drug Delivery to the Penis and Its Cellular Metabolic Mechanism
Authors: Atipairin Apichart , Chunhachaichana Charisopon , Nakpheng Titpawan , Changsan Narumon , Srichana Teerapol , Sawatdee Somchai
Published: November 2020

Sildenafil citrate is used to treat mild to moderate erectile dysfunction and premature ejaculation. However, it has low oral bioavailability, numerous adverse effects, and delayed onset of action. These problems may be resolved by transdermal delivery to the penis. Hence, sildenafil citrate was formulated as a microemulsion system using isopropyl myristate, Tween 80, PEG400, and water (30:20:40:10). The hydrogel used in the microemulsion was 2% w/w poloxamer 188. The sildenafil microemulsion-loaded hydrogels were characterised for their appearance, particle size, pH, spreadability, swelling index, viscosity, sildenafil drug content, membrane permeation, epithelial cell cytotoxicity, and in vitro drug metabolism. The optimised formulated microemulsion showed the lowest droplet size and highest solubility of sildenafil citrate. The in vitro skin permeation of the sildenafil citrate microemulsion-loaded hydrogel was significantly higher than that of the sildenafil suspension, with a 1.97-fold enhancement ratio. The formulated microemulsion exhibited a 100% cell viability, indicating its safety for skin epithelial cells. The major metabolic pathway of sildenafil citrate loaded in the microemulsion formulation was hydroxylation. Furthermore, loading sildenafil in the microemulsion reduced the drug metabolite by approximately 50% compared to the sildenafil in aqueous suspension. The sildenafil citrate-loaded isopropyl myristate-based microemulsion hydrogels were physically and chemically stable over 6 months of storage. The sildenafil citrate microemulsion-loaded hydrogel showed in vitro results suitable for used as a transdermal drug delivery system.
Performance and Stability of Tenofovir Alafenamide Formulations within Subcutaneous Biodegradable Implants for HIV Pre-Exposure Prophylaxis (PrEP)
Authors: Li Linying , Johnson Leah M. , Krovi Sai Archana , Demkovich Zach R. , van der Straten Ariane
Published: November 2020

A critical need exists to develop diverse biomedical strategies for the widespread use of HIV Pre-Exposure Prophylaxis (HIV PrEP). This manuscript describes a subcutaneous reservoir-style implant for long-acting delivery of tenofovir alafenamide (TAF) for HIV PrEP. We detail key parameters of the TAF formulation that affect implant performance, including TAF ionization form, the selection of excipient and the exposure to aqueous conditions. Both in-vitro studies and shelf stability tests demonstrate enhanced performance for TAF freebase (TAFFB) in this long-acting implant platform, as TAFFB maintains higher chemical stability than the TAF hemifumarate salt (TAFHF). We also examined the hydrolytic degradation profiles of various formulations of TAF and identified inflection points for the onset of the accelerated drug hydrolysis within the implant using a two-line model. The compositions of unstable formulations are characterized by liquid chromatography-mass spectrometry (LC-MS) and are correlated to predominant products of the TAF hydrolytic pathways. The hydrolysis rate of TAF is affected by pH and water content in the implant microenvironment. We further demonstrate the ability to substantially delay the degradation of TAF by reducing the rates of drug release and thus lowering the water ingress rate. Using this approach, we achieved sustained release of TAFFB formulations over 240 days and maintained > 93% TAF purity under simulated physiological conditions. The opportunities for optimization of TAF formulations in this biodegradable implant supports further advancement of strategies to address long-acting HIV PrEP.
The Development and Evaluation of a Structured Continuing Professional Development Programme for Pharmacists in Kuwait: A Feasibility Study
Authors: Al-Haqan Asmaa , Al-Baghli Shahad , Al-Enizi Al-Bandari , Al-Dosari Hailah , Waheedi Salah
Published: November 2020

Continuous education and training play a critical role in preparing a competent pharmacy workforce to meet the healthcare needs of the public. This study aimed to evaluate the effectiveness and feasibility of implementing a structured Continuing Professional Development (CPD) training programme for pharmacists in Kuwait. Twenty-one practicing pharmacists participated in the programme. This study evaluated the programme’s effectiveness and feasibility by analysing data from three sources: (1) two focus group interviews, (2) CPD records collected in May and November 2019, and (3) online survey responses collected at the middle and end of the programme. Findings from this study showed that implementing a structured CPD programme is feasible and could positively impact pharmacists’ practice. A guiding competency framework and continuous feedback from programme instructors added valuable support for pharmacists during the programme, and facilitated an impactful translation of education into practice. This study provides the first data on pharmacists’ CPD in Kuwait and serves as a starting point for future education plans, studies, and transformational actions pertaining to pharmacy workforce education and training.
Physiological and Transcriptomic Response of Grey Poplar (Populus ×canescens Aiton Sm.) to Cadmium Stress
Authors: Komárková Martina , Chromý Jakub , Pokorná Eva , Soudek Petr , Máchová Pavlína
Published: November 2020

(1) Background: Populus ×canescens (Aiton) Sm. is a fast-growing woody plant belonging to the family Salicaceae. Two poplar genotypes characterized by unique phenotypic traits (TP11 and TP20) were chosen to be characterized and tested for a physiological and transcriptomic response to Cd stress. (2) Methods: A comparative analysis of the effects of exposure to high cadmium (Cd) concentrations (10 µM and 100 µM) of TP11 and TP20 was performed. (3) Results: Neither of the tested Cd concentration negatively affected plant growth; however, the chlorophyll content significantly decreased. The potassium (K) content was higher in the shoots than in the roots. The magnesium concentrations were only slightly affected by Cd treatment. The zinc content in the shoots of TP20 was lower than that in the shoots of TP11. Cd accumulation was higher in the roots than in the shoots. After 10 days of exposure, 10 µM Cd resulted in comparable amounts of Cd in the roots and shoots of TP20. The most significant change in transcript amount was observed in endochitinase 2, 12-oxophytodienoate reductase 1 and phi classglutathione S-transferase. (4) Conclusions: Our study provided new insights for effective assessing the ability of different poplar genotypes to tolerate Cd stress and underlying Cd tolerance.
The Fungicide Tetramethylthiuram Disulfide Negatively Affects Plant Cell Walls, Infection Thread Walls, and Symbiosomes in Pea (Pisum sativum L.) Symbiotic Nodules
Authors: Gorshkov Artemii P. , Tsyganova Anna V. , Vorobiev Maxim G. , Tsyganov Viktor E.
Published: November 2020

In Russia, tetramethylthiuram disulfide (TMTD) is a fungicide widely used in the cultivation of legumes, including the pea (Pisum sativum). Application of TMTD can negatively affect nodulation; nevertheless, its effect on the histological and ultrastructural organization of nodules has not previously been investigated. In this study, the effect of TMTD at three concentrations (0.4, 4, and 8 g/kg) on nodule development in three pea genotypes (laboratory lines Sprint-2 and SGE, and cultivar ‘Finale’) was examined. In SGE, TMTD at 0.4 g/kg reduced the nodule number and shoot and root fresh weights. Treatment with TMTD at 8 g/kg changed the nodule color from pink to green, indicative of nodule senescence. Light and transmission electron microscopy analyses revealed negative effects of TMTD on nodule structure in each genotype. ‘Finale’ was the most sensitive cultivar to TMTD and Sprint-2 was the most tolerant. The negative effects of TMTD on nodules included the appearance of a senescence zone, starch accumulation, swelling of cell walls accompanied by a loss of electron density, thickening of the infection thread walls, symbiosome fusion, and bacteroid degradation. These results demonstrate how TMTD adversely affects nodules in the pea and will be useful for developing strategies to optimize fungicide use on legume crops.
Anachronic Fruit Traits and Natural History Suggest Extinct Megafauna Herbivores as the Dispersers of an Endangered Tree
Authors: Muñoz-Concha Diego , Muñoz Karla , Loayza Andrea P.
Published: November 2020

Megafaunal seed dispersal syndrome refers to a group of traits attributed to the evolution of plants in the presence of large mammals. Present-day plants that bear these traits in areas where megafauna are absent are presumed to represent anachronic dispersal systems. Gomortega keule is an endangered tree species from a monotypic family (Gomortegaceae), endemic to Chile. Its fruit traits suggest adaptation to seed dispersal by large vertebrates; however, none are present today along its area of distribution. Here, we conducted a detailed revision on the fruit morphology of G. keule to examine whether its fruit traits fit a megafaunal dispersal syndrome. Additionally, we examined the fruit processing behavior of large domestic and captive wild animals fed with G. keule fruits, and its effect on germination. G. keule fruits had traits consistent with those of a Type 1 megafaunal fruit. Compared to intact, whole stones, seed germination probabilities decreased when fruits were handled by animals, suggesting that the seed was damaged during mastication and/or ingestion. Moreover, results from our feeding trials with elephants may also imply low efficiency of extinct gomphotheres as seed dispersers of this species. Our results also suggest that although domestic animals may disperse G. keule, it is unlikely that at present they can substitute the services of its original dispersers. Further investigation on seedling survival, local livestock management and forest management practices may help reinstate sexual regeneration in G. keule. Finally, integrating observations on fruit ecology and local people’s knowledge with experimental data enriches our species-centered approach and may help to address regeneration problems in other endangered plants.
Soybean Nodule-Associated Non-Rhizobial Bacteria Inhibit Plant Pathogens and Induce Growth Promotion in Tomato
Authors: Tokgöz Serkan , Lakshman Dilip K. , Ghozlan Mahmoud H. , Pinar Hasan , Roberts Daniel P. , Mitra Amitava
Published: November 2020

The root nodules are a unique environment formed on legume roots through a highly specific symbiotic relationship between leguminous plants and nodule-inducing bacteria. Previously, Rhizobia were presumed to be the only group of bacteria residing within nodules. However, recent studies discovered diverse groups of bacteria within the legume nodules. In this report soybean nodule-associated bacteria were studied in an effort to identify beneficial bacteria for plant disease control and growth promotion. Analysis of surface-sterilized single nodules showed bacterial diversity of the nodule microbiome. Five hundred non-rhizobial colonies from 10 nodules, 50 colonies per nodule, were tested individually against the tomato wilt causing bacterial pathogen Clavibacter michiganensis subsp. michiganensis (Cmm) for inhibition of pathogen growth. From the initial screening, 54 isolates were selected based on significant growth inhibition of Cmm. These isolates were further tested in vitro on another bacterial pathogen Pseudomonas syringae pv. tomato (Pst) and two fungal pathogens Rhizoctonia solani and Sclerotinia sclerotiorum. Bacterial metabolites were extracted from 15 selected isolates with ethanol and tested against pathogen Cmm and Pst. These isolates were identified by using MALDI-TOF mass spectrometry and 16S rRNA gene sequencing. Pseudomonas spp. were the dominant soybean nodule-associated non-rhizobial bacterial group. Several isolates imparted significant protection against pathogens and/or plant growth promotion on tomato seedlings. The most promising nodule-associated bacterial isolate that suppressed both Cmm and Pst in vitro and Pst in tomato seedlings was identified as a Proteus species. Isolation and identification of beneficial nodule-associated bacteria established the foundation for further exploration of potential nodule-associated bacteria for plant protection and growth promotion.
Tunable Tensile Properties of Polypropylene and Polyethylene Terephthalate Fibrillar Blends through Micro-/Nanolayered Extrusion Technology
Authors: Embabi Mahmoud , Kweon Mu Sung , Chen Zuolong , Lee Patrick C.
Published: November 2020

Fiber-reinforcement is a well-established technique to enhance the tensile properties of polymer composites, which is achieved via changing the reinforcing material concentration and orientation. However, the conventional method can be costly and may lead to poor compatibility issues. To overcome these challenges, we demonstrate the use of micro-/nanolayer (MNL) extrusion technology to tune the mechanical properties of polypropylene (PP)/polyethylene terephthalate (PET) fibrillar blends. PET nanofibers-in-PP microfiber composites, with 3, 7, and 15 wt.% PET, are first prepared using a spunbond system to induce high aspect-ratio PET nanofibers. The PP/PET fibers are then reprocessed in an MNL extrusion system and subjected to shear and extensional flow fields in the channels of the uniquely designed layer multipliers. Increasing the mass flow rate and number of multipliers is shown to orient the PET nanofibers along the machine direction (MD), as confirmed via scanning electron microscopy. Tensile tests reveal that up to a 45% and 46% enhancement in elastic modulus and yield strength are achieved owing to the highly aligned PET nanofibers along the MD under strongest processing conditions. Overall, the range of tensile properties obtained using MNL extrusion implies that the properties of fiber-reinforced composites can be further tuned by employing this processing technique.
Acetone Vapor-Sensing Properties of Chitosan-Polyethylene Glycol Using Surface Plasmon Resonance Technique
Authors: Usman Fahad , Dennis John Ojur , Mkawi E. M. , Al-Hadeethi Yas , Meriaudeau Fabrice , Fen Yap Wing , Sadrolhosseini Amir Reza , Ferrell Thomas L. , Alsadig Ahmed , Sulieman Abdelmoneim
Published: November 2020

To non-invasively monitor and screen for diabetes in patients, there is need to detect low concentration of acetone vapor in the range from 1.8 ppm to 5 ppm, which is the concentration range of acetone vapor in diabetic patients. This work presents an investigation for the utilization of chitosan-polyethylene glycol (PEG)-based surface plasmon resonance (SPR) sensor in the detection of trace concentration acetone vapor in the range of breath acetone in diabetic subjects. The structure, morphology, and elemental composition of the chitosan-PEG sensing layer were characterized using FTIR, UV-VIS, FESEM, EDX, AFM, and XPS methods. Response testing was conducted using low concentration of acetone vapor in the range of 0.5 ppm to 5 ppm using SPR technique. All the measurements were conducted at room temperature and 50 mL/min gas flow rate. The sensor showed good sensitivity, linearity, repeatability, reversibility, stability, and high affinity toward acetone vapor. The sensor also showed better selectivity to acetone compared to methanol, ethanol, and propanol vapors. More importantly, the lowest detection limit (LOD) of about 0.96 ppb confirmed the applicability of the sensor for the non-invasive monitoring and screening of diabetes.
Poly(3-Hydroxybutyrate)-Multiwalled Carbon Nanotubes Electrospun Scaffolds Modified with Curcumin
Authors: Tanideh Nader , Azarpira Negar , Sarafraz Najmeh , Zare Shahrokh , Rowshanghiyas Aida , Farshidfar Nima , Iraji Aida , Zarei Moein , El Fray Miroslawa
Published: November 2020

Appropriate selection of suitable materials and methods is essential for scaffolds fabrication in tissue engineering. The major challenge is to mimic the structure and functions of the extracellular matrix (ECM) of the native tissues. In this study, an optimized 3D structure containing poly(3-hydroxybutyrate) (P3HB), multiwalled carbon nanotubes (MCNTs) and curcumin (CUR) was created by electrospinning a novel biomimetic scaffold. CUR, a natural anti-inflammatory compound, has been selected as a bioactive component to increase the biocompatibility and reduce the potential inflammatory reaction of electrospun scaffolds. The presence of CUR in electrospun scaffolds was confirmed by 1H NMR and Fourier-transform infrared spectroscopy (FTIR). Scanning electron microscopy (SEM) revealed highly interconnected porosity of the obtained 3D structures. Addition of up to 20 wt% CUR has enhanced mechanical properties of the scaffolds. CUR has also promoted in vitro bioactivity and hydrolytic degradation of the electrospun nanofibers. The developed P3HB-MCNT composite scaffolds containing 20 wt% of CUR revealed excellent in vitro cytocompatibility using mesenchymal stem cells and in vivo biocompatibility in rat animal model study. Importantly, the reduced inflammatory reaction in the rat model after 8 weeks of implantation has also been observed for scaffolds modified with CUR. Overall, newly developed P3HB-MCNTs-CUR electrospun scaffolds have demonstrated their high potential for tissue engineering applications.
Influence of Buffers, Ionic Strength, and pH on the Volume Phase Transition Behavior of Acrylamide-Based Nanogels
Authors: Judah Harriet Louise , Liu Pengfei , Zarbakhsh Ali , Resmini Marina
Published: November 2020

The use of covalently crosslinked nanogels for applications in biology and medicine is dependent on their properties and characteristics, which often change because of the biological media involved. Understanding the role of salts, ionic strength and pH in altering specific properties is key to progress in this area. We studied the effect of both chemical structure and media environment on the thermoresponsive behavior of nanogels. A small library of methylenebisacrylamide (MBA) crosslinked nanogels were prepared using N-isopropylacrylamide (NIPAM) or N-n-propylacrylamide (NPAM), in combination with functional monomers N-hydroxyethylacrylamide (HEAM) and N-acryloyl-l-proline (APrOH). The thermoresponsive properties of nanogels were evaluated in phosphate buffer, tris-acetate buffer and Ringer HEPES, with varying concentrations and ionic strengths. The presence of ions facilitates the phase separation of nanogels, and this “salting-out” effect strongly depends on the electrolyte concentration as well as the specificity of individual anions, e.g., their positions in the Hofmeister series. A subtle change in the chemical structure of the side chain of the monomer from NIPAM to NPAM leads to a reduction of the volume phase transition temperature (VPTT) value by ~10 °C. The addition of hydrophilic comonomers such as HEAM, on the other hand, causes a ~20 °C shift in VPTT to higher values. The data highlight the significant role played by the chemical structure of the monomers used, with hydrophobicity and rigidity closely interlinked in determining thermoresponsive behavior. Furthermore, the volume phase transition temperature (VPTT) of nanogels copolymerized with ionizable APrOH comonomer can be tailored by changes in the pH of buffer solutions. This temperature-controlled phase transition is driven by intricate interplay involving the entropy of mixing, electrostatic interactions, conformational transitions, and structural rigidity. These results highlight the importance of understanding the physiochemical properties and behavior of covalently crosslinked nanogels in a biological environment prior to their applications in life-science, such as temperature/pH-triggered drug delivery systems.
Polymer Conformations, Entanglements and Dynamics in Ionic Nanocomposites: A Molecular Dynamics Study
Authors: Moghimikheirabadi Ahmad , Mugemana Clément , Kröger Martin , Karatrantos Argyrios V.
Published: November 2020

We investigate nanoparticle (NP) dispersion, polymer conformations, entanglements and dynamics in ionic nanocomposites. To this end, we study nanocomposite systems with various spherical NP loadings, three different molecular weights, two different Bjerrum lengths, and two types of charge-sequenced polymers by means of molecular dynamics simulations. NP dispersion can be achieved in either oligomeric or entangled polymeric matrices due to the presence of electrostatic interactions. We show that the overall conformations of ionic oligomer chains, as characterized by their radii of gyration, are affected by the presence and the amount of charged NPs, while the dimensions of charged entangled polymers remain unperturbed. Both the dynamical behavior of polymers and NPs, and the lifetime and amount of temporary crosslinks, are found to depend on the ratio between the Bjerrum length and characteristic distance between charged monomers. Polymer–polymer entanglements start to decrease beyond a certain NP loading. The dynamics of ionic NPs and polymers is very different compared with their non-ionic counterparts. Specifically, ionic NP dynamics is getting enhanced in entangled matrices and also accelerates with the increase of NP loading.
Basic Approaches to the Design of Intrinsic Self-Healing Polymers for Triboelectric Nanogenerators
Authors: Dzhardimalieva Gulzhian I. , Yadav Bal C. , Kudaibergenov Sarkyt E. , Uflyand Igor E.
Published: November 2020

Triboelectric nanogenerators (TENGs) as a revolutionary system for harvesting mechanical energy have demonstrated high vitality and great advantage, which open up great prospects for their application in various areas of the society of the future. The past few years have seen exponential growth in many new classes of self-healing polymers (SHPs) for TENGs. This review presents and evaluates the SHP range for TENGs, and also attempts to assess the impact of modern polymer chemistry on the development of advanced materials for TENGs. Among the most widely used SHPs for TENGs, the analysis of non-covalent (hydrogen bond, metal–ligand bond), covalent (imine bond, disulfide bond, borate bond) and multiple bond-based SHPs in TENGs has been performed. Particular attention is paid to the use of SHPs with shape memory as components of TENGs. Finally, the problems and prospects for the development of SHPs for TENGs are outlined.
Colorimetric Textile Sensor for the Simultaneous Detection of NH3 and HCl Gases
Authors: Park Young Ki , Oh Hyun Ju , Bae Jong Hyuk , Lim Jee Young , Lee Hee Dong , Hong Seok Il , Son Hyun Sik , Kim Jong H. , Lim Seung Ju , Lee Woosung
Published: November 2020

For the immediate detection of strong gaseous alkalis and acids, colorimetric textile sensors based on halochromic dyes are highly valuable for monitoring gas leakages. To date, colorimetric textile sensors for dual-gas detection have usually been fabricated by electrospinning methods. Although nanofibrous sensors have excellent pH sensitivity, they are difficult to use commercially because of their low durability, low productivity, and high production costs. In this study, we introduce novel textile sensors with high pH sensitivity and durability via a facile and low-cost screen-printing method. To fabricate these textiles sensors, Dye 3 and RhYK dyes were both incorporated into a polyester fabric. The fabricated sensors exhibited high detection rates (<10 s) and distinctive color changes under alkaline or acidic conditions, even at low gas concentrations. Furthermore, the fabricated sensors showed an outstanding durability and reversibility after washing and drying and were confirmed to contain limited amounts of hazardous materials. Thus, our results show that the fabricated textile sensors could be used in safety apparel that changes its color in the presence of harmful gases.
Phase Diagram for Ideal Diblock-Copolymer Micelles Compared to Polymerization-Induced Self Assembly
Authors: Gavrilov Alexey A. , Shupanov Ruslan M. , Chertovich Alexander V.
Published: November 2020

In this work we constructed a detailed phase diagram for the solutions of ideal diblock-copolymers and compared such diagram with that obtained during polymerization-induced self-assembly (PISA); a wide range of polymer concentrations as well as chain compositions was studied. As the length of the solvophobic block nB increases (the length of the solvophilic block nA was fixed), the transition from spherical micelles to cylinders and further to vesicles (lamellae) occurs. We observed a rather wide transition region between the spherical and cylindrical morphology in which the system contains a mixture of spheres and short cylinders, which appear to be in dynamic equilibrium; the transition between the cylinders and vesicles was found to be rather sharp. Next, upon increasing the polymer concentration in the system, the transition region between the spheres and cylinders shifts towards lower nB/nA values; a similar shift but with less magnitude was observed for the transition between the cylinders and vesicles. Such behavior was attributed to the increased number of contacts between the micelles at higher polymer volume concentrations. We also found that the width of the stability region of the cylindrical micelles for small polymer volume concentrations is in good quantitative agreement with the predictions of analytical theory. The obtained phase diagram for PISA was similar to the case of presynthesized diblock copolymer; however, the positions of the transition lines for PISA are slightly shifted towards higher nB/nA values in comparison to the presynthesized diblock copolymers, which is more pronounced for the case of the cylinders-to-vesicles transition. We believe that the reason for such behavior is the polydispersity of the core-forming blocks: The presence of the short and long blocks being located at the micelle interface and in its center, respectively, helps to reduce the entropy losses due to the insoluble block stretching, which leads to the increased stability of more curved micelles.
Phenolics Dynamics and Infrared Fingerprints during the Storage of Pumpkin Seed Oil and Thereof Oleogel
Authors: Pușcaș Andreea , Mureșan Andruța , Ranga Floricuța , Fetea Florinela , Muste Sevastița , Socaciu Carmen , Mureșan Vlad
Published: November 2020

Cold-pressed pumpkin seed oil is a valuable source of bioactive molecules, including phenolic compounds. Oleogels are designed for trans and saturated fats substitution in foods, but also demonstrate protection and delivery of bioactive compounds. Consequently, the present work aimed to assess individual phenolic compounds dynamics and infrared fingerprints during the ambient storage of pumpkin seed oil and thereof oleogel. For oleogels production, a 5% ternary mixture of waxes, composed by 3% beewax, 1% sunflower wax and 1% rice bran wax, was used. Phenolic compounds were extracted by traditional liquid–liquid extraction, followed by HPLC-MS quantification. FTIR (400–4000 cm−1) was used for characterizing and monitoring the oxidative stability of all samples and for the evaluation of intermolecular forces between oleogelator mixtures and oil. Specific wavenumbers indicated oxidative processes in stored sample sets; storage time and sample clustering patterns were revealed by chemometrics. Isolariciresinol, vanillin, caffeic and syringic acids were quantified. The main changes were determined for isolariciresinol, which decreased in liquid pumpkin seed oil samples from 0.77 (T1) to 0.13 mg/100 g (T4), while for oleogel samples it decreased from 0.64 (T1) to 0.12 mg/100 g (T4). However, during the storage at room temperature, it was concluded that oleogelation technique might show potential protection of specific phenolic compounds such as syringic acid and vanillin after 8 months of storage. For isolariciresinol, higher amounts are registered in the oleogel (0.411 mg/100 g oil) than in the oil (0.37 mg/100 g oil) after 5 months of ambient temperature storage (T3). Oxidation processes occurred after 5 months storage for both oil and oleogel samples.
Temperature-Fermion Number Correlations in Finite Paired Systems
Authors: Plastino Angelo , Monteoliva Diana , Plastino Angel R.
Published: November 2020

We investigate finite systems of N paired fermions, common in atomic nuclei, for example. These systems exhibit quantum mechanical features akin to those of superconductors. We discover, however, some specific N dependent effects that can not be attained in the thermodynamics limit of ordinary superconductivity. In particular, an important fact is uncovered: there is a strong correlation between the temperature T and the number of fermions N. A certain temperature increase ΔT produces, in thermal quantifiers (such as the entropy), quite different effects if N=4 or N=25. In fact, whether a given temperature value should be regarded as high or low can not be ascertained independent of the N value.