bluuebunny/crossref_metadata_2025 huggingface dataset:
Effects of a Fruit and Vegetable-Based Nutraceutical on Biomarkers of Inflammation and Oxidative Status in the Plasma of a Healthy Population: A Placebo-Controlled, Double-Blind, and Randomized Clinical Trial
Authors: Arcusa Raúl , Carrillo Juan Ángel , Xandri-Martínez Raquel , Cerdá Begoña , Villaño Débora , Marhuenda Javier , Zafrilla María Pilar
Published: June 2021

There is scientific evidence of the positive effect of polyphenols from plant foods on inflammation and oxidative status. The aim of the present study was to investigate whether treatment with a high-polyphenolic nutraceutical reduces the plasmatic concentration of certain oxidative and inflammatory biomarkers in a healthy population. One hundred and eight subjects were selected and stratified by sex in the intervention group (n = 53) and the placebo group (n = 55). Ninety-two subjects completed the study after two 16-week treatment periods separated by a four-week washout period. The results revealed statistically significant differences in subjects treated with the polyphenolic extract compared to the placebo: A decrease in homocysteine, oxidized low-density lipoprotein (OxLDL), TNF-α, sTNFR1, and C-reactive protein (CRP). The most significant decrease was observed for OxLDL (from 78.98 ± 24.48 to 69.52 ± 15.64; p < 0.05) and CRP (from 1.50 ± 0.33 to 1.39 ± 0.37; p < 0.05), both showing significant differences compared to the placebo (p < 0.001). Moreover, catecholamines increased after the administration of the product under investigation, especially in the case of dopamine (from 15.43 ± 2.66 to 19.61 ± 5.73; p < 0.05). Therefore, the consumption of a nutraceutical based on fruit and vegetables with a high polyphenol content seems to improve the parameters related to health benefits (oxidative and inflammatory biomarkers), including remarkable changes in the expression of catecholamines.
Influence of N-Methylation and Conformation on Almiramide Anti-Leishmanial Activity
Authors: Nguyen Anh Minh Thao , Brettell Skye , Douanne Noélie , Duquette Claudia , Corbeil Audrey , Fajardo Emanuella F. , Olivier Martin , Fernandez-Prada Christopher , Lubell William D.
Published: June 2021

The almiramide N-methylated lipopeptides exhibit promising activity against trypanosomatid parasites. A structure–activity relationship study has been performed to examine the influences of N-methylation and conformation on activity against various strains of leishmaniasis protozoan and on cytotoxicity. The synthesis and biological analysis of twenty-five analogs demonstrated that derivatives with a single methyl group on either the first or fifth residue amide nitrogen exhibited greater activity than the permethylated peptides and relatively high potency against resistant strains. Replacement of amino amide residues in the peptide, by turn inducing α amino γ lactam (Agl) and N-aminoimidazalone (Nai) counterparts, reduced typically anti-parasitic activity; however, peptide amides possessing Agl residues at the second residue retained significant potency in the unmethylated and permethylated series. Systematic study of the effects of methylation and turn geometry on anti-parasitic activity indicated the relevance of an extended conformer about the central residues, and conformational mobility by tertiary amide isomerization and turn geometry at the extremities of the active peptides.
Investigating the Disordered and Membrane-Active Peptide A-Cage-C Using Conformational Ensembles
Authors: Dobrovolska Olena , Strømland Øyvind , Handegård Ørjan Sele , Jakubec Martin , Govasli Morten L. , Skjevik Åge Aleksander , Frøystein Nils Åge , Teigen Knut , Halskau Øyvind
Published: June 2021

The driving forces and conformational pathways leading to amphitropic protein-membrane binding and in some cases also to protein misfolding and aggregation is the subject of intensive research. In this study, a chimeric polypeptide, A-Cage-C, derived from α-Lactalbumin is investigated with the aim of elucidating conformational changes promoting interaction with bilayers. From previous studies, it is known that A-Cage-C causes membrane leakages associated with the sporadic formation of amorphous aggregates on solid-supported bilayers. Here we express and purify double-labelled A-Cage-C and prepare partially deuterated bicelles as a membrane mimicking system. We investigate A-Cage-C in the presence and absence of these bicelles at non-binding (pH 7.0) and binding (pH 4.5) conditions. Using in silico analyses, NMR, conformational clustering, and Molecular Dynamics, we provide tentative insights into the conformations of bound and unbound A-Cage-C. The conformation of each state is dynamic and samples a large amount of overlapping conformational space. We identify one of the clusters as likely representing the binding conformation and conclude tentatively that the unfolding around the central W23 segment and its reorientation may be necessary for full intercalation at binding conditions (pH 4.5). We also see evidence for an overall elongation of A-Cage-C in the presence of model bilayers.
Response Surface Methodology to Optimize the Isolation of Dominant Volatile Compounds from Monofloral Greek Thyme Honey Using SPME-GC-MS
Authors: Xagoraris Marinos , Skouria Alexandra , Revelou Panagiota-Kyriaki , Alissandrakis Eleftherios , Tarantilis Petros A. , Pappas Christos S.
Published: June 2021

This study aimed at an experimental design of response surface methodology (RSM) in the optimization of the dominant volatile fraction of Greek thyme honey using solid-phase microextraction (SPME) and analyzed by gas chromatography-mass spectrometry (GC-MS). For this purpose, a multiple response optimization was employed using desirability functions, which demand a search for optimal conditions for a set of responses simultaneously. A test set of eighty thyme honey samples were analyzed under the optimum conditions for validation of the proposed model. The optimized combination of isolation conditions was the temperature (60 °C), equilibration time (15 min), extraction time (30 min), magnetic stirrer speed (700 rpm), sample volume (6 mL), water: honey ratio (1:3 v/w) with total desirability over 0.50. It was found that the magnetic stirrer speed, which has not been evaluated before, had a positive effect, especially in combination with other factors. The above-developed methodology proved to be effective in the optimization of isolation of specific volatile compounds from a difficult matrix, like honey. This study could be a good basis for the development of novel RSM for other monofloral honey samples.
Facile Synthesis of 2H-Benzo[h]Chromenes via an Arylamine-Catalyzed Mannich Cyclization Cascade Reaction
Authors: Zhang Yueteng , Ji Peng , Meng Xiang , Gao Feng , Zeng Fanxun , Wang Wei
Published: June 2021

A simple arylamine-catalyzed Mannich-cyclization cascade reaction was developed for facile synthesis of substituted 2H-benzo[h]chromenes. The notable feature of the process included the efficient generation of ortho-quinone methides (o-QMs) catalyzed by a simple aniline. The mild reaction conditions allowed for a broad spectrum of 1- and 2-naphthols and trans-cinnamaldehydes to engage in the cascade sequence with high efficiency.
Cyanovirin-N Binds Viral Envelope Proteins at the Low-Affinity Carbohydrate Binding Site without Direct Virus Neutralization Ability
Authors: Maier Irene , Schiestl Robert H. , Kontaxis Georg
Published: June 2021

Glycan-targeting antibodies and pseudo-antibodies have been extensively studied for their stoichiometry, avidity, and their interactions with the rapidly modifying glycan shield of influenza A. Broadly neutralizing antiviral agents bind in the same order when they neutralize enveloped viruses regardless of the location of epitopes to the host receptor binding site. Herein, we investigated the binding of cyanovirin-N (CV–N) to surface-expressed glycoproteins such as those of human immunodeficiency virus (HIV) gp120, hemagglutinin (HA), and Ebola (GP)1,2 and compared their binding affinities with the binding response to the trimer-folded gp140 using surface plasmon resonance (SPR). Binding-site knockout variants of an engineered dimeric CV–N molecule (CVN2) revealed a binding affinity that correlated with the number of (high-) affinity binding sites. Binding curves were specific for the interaction with N-linked glycans upon binding with two low-affinity carbohydrate binding sites. This biologically active assembly of a domain-swapped CVN2, or monomeric CV–N, bound to HA with a maximum KD of 2.7 nM. All three envelope spike proteins were recognized at a nanomolar KD, whereas binding to HIV neutralizing 2G12 by targeting HA and Ebola GP1,2 was measured in the µM range and specific for the bivalent binding scheme in SPR. In conclusion, invariant structural protein patterns provide a substrate for affinity maturation in the membrane-anchored HA regions, as well as the glycan shield on the membrane-distal HA top part. They can also induce high-affinity binding in antiviral CV–N to HA at two sites, and CVN2 binding is achieved at low-affinity binding sites.
Ultrasound Microbubbles Enhance the Efficacy of Insulin-Like Growth Factor-1 Therapy for the Treatment of Noise-Induced Hearing Loss
Authors: Lin Yi-Chun , Lin Yuan-Yung , Chen Hsin-Chien , Kuo Chao-Yin , Liao Ai-Ho , Chou Ying-Liang , Hung Chia-Lien , Shih Cheng-Ping , Wang Chih-Hung
Published: June 2021

The application of insulin-like growth factor 1 (IGF-1) to the round window membrane (RWM) is an emerging treatment for inner ear diseases. RWM permeability is the key factor for efficient IGF-1 delivery. Ultrasound microbubbles (USMBs) can increase drug permeation through the RWM. In the present study, the enhancing effect of USMBs on the efficacy of IGF-1 application and the treatment effect of USMB-mediated IGF-1 delivery for noise-induced hearing loss (NIHL) were investigated. Forty-seven guinea pigs were assigned to three groups: the USM group, which received local application of recombinant human IGF-1 (rhIGF-1, 10 µg/µL) following application of USMBs to the RWM; the RWS group, which received IGF-1 application alone; and the saline-treated group. The perilymphatic concentration of rhIGF-1 in the USM group was 1.95- and 1.67- fold of that in the RWS group, 2 and 24 h after treatment, respectively. After 5 h of 118 dB SPL noise exposure, the USM group had the lowest threshold shift in auditory brainstem response, least loss of cochlear outer hair cells, and least reduction in the number of synaptic ribbons on postexposure day 28 among the three groups. The combination of USMB and IGF-1 led to a better therapeutic response to NIHL. Two hours after treatment, the USM group had significantly higher levels of Akt1 and Mapk3 gene expression than the other two groups. The most intense immunostaining for phosphor-AKT and phospho-ERK1/2 was detected in the cochlea in the USM group. These results suggested that USMB can be applied to enhance the efficacy of IGF-1 therapy in the treatment of inner ear diseases.
Potentiometric Surfactant Sensor Based on 1,3-Dihexadecyl-1H-benzo[d]imidazol-3-ium for Anionic Surfactants in Detergents and Household Care Products
Authors: Sakač Nikola , Madunić-Čačić Dubravka , Marković Dean , Hok Lucija , Vianello Robert , Šarkanj Bojan , Đurin Bojan , Hajdek Krunoslav , Smoljan Božo , Milardović Stjepan , Matasović Brunislav , Jozanović Marija
Published: June 2021

A 1,3-dihexadecyl-1H-benzo[d]imidazol-3-ium-tetraphenylborate (DHBI-TPB) ion-pair implemented in DHBI-TPB surfactant sensor was used for the potentiometric quantification of anionic surfactants in detergents and commercial household care products. The DHBI-TPB ion-pair was characterized by FTIR spectroscopy and computational analysis which revealed a crucial contribution of the C–H∙∙∙π contacts for the optimal complex formation. The DHBI-TPB sensor potentiometric response showed excellent analytical properties and Nernstian slope for SDS (60.1 mV/decade) with LOD 3.2 × 10−7 M; and DBS (58.4 mV/decade) with LOD 6.1 × 10−7 M was obtained. The sensor possesses exceptional resistance to different organic and inorganic interferences in broad pH (2–10) range. DMIC used as a titrant demonstrated superior analytical performances for potentiometric titrations of SDS, compared to other tested cationic surfactants (DMIC > CTAB > CPC > Hyamine 1622). The combination of DHBI-TPB sensor and DMIC was successfully employed to perform titrations of the highly soluble alkane sulfonate homologues. Nonionic surfactants (increased concentration and number of EO groups) had a negative impact on anionic surfactant titration curves and a signal change. The DHBI-TPB sensor was effectively employed for the determination of technical grade anionic surfactants presenting the recoveries from 99.5 to 101.3%. The sensor was applied on twelve powered samples as well as liquid-gel and handwashing home care detergents containing anionic surfactants. The obtained results showed good agreement compared to the outcomes measured by ISE surfactant sensor and a two-phase titration method. The developed DHBI-TPB surfactant sensor could be used for quality control in industry and has great potential in environmental monitoring.
Tin-Naphthalene Sulfonic Acid Complexes as Photostabilizers for Poly(vinyl chloride)
Authors: Jasem Hadeer , Hadi Angham G. , El-Hiti Gamal A. , Baashen Mohammed A. , Hashim Hassan , Ahmed Ahmed A. , Ahmed Dina S. , Yousif Emad
Published: June 2021

Poly(vinyl chloride) degrades when exposed to ultraviolet light for long durations; therefore, the photostability of polymeric materials should be enhanced through the application of additives. New organotin complexes containing 4-aminonaphthalene-1-sulfonic acid were synthesized and their role as poly(vinyl chloride) photostabilizers were evaluated. The reaction of 4-amino-3-hydroxynaphthalene-1-sulfonic acid and appropriate di- or trisubstituted tin chloride (triphenyltin chloride, tributyltin chloride, dibutyltin dichloride, and dimethyltin dichloride) in methanol under reflux gave the corresponding tin-naphthalene complexes with yields of 75%–95%. Elemental analyses and spectroscopic techniques including infrared and nuclear magnetic resonance (proton and tin) were used to confirm their structures. The tin complexes were added to poly(vinyl chloride) to produce thin films that irradiated with ultraviolet light. Various parameters were assessed, such as the weight loss, formation of specific functional groups, changes in the surface due to photoirradiation, and rate constant of photodegradation, to test the role played by the organotin complexes to reduce photodegradation in polymeric films. The results proved that organotin complexes acted as photostabilizers in these circumstances. The weight loss, formation of fragments containing specific functional groups, and undesirable changes in the surface of polymeric films were limited in the presence of organotin complexes. Organotin complexes containing three phenyl groups showed the most desirable stabilization effect. These act as efficient primary and secondary photostabilizers, and as decomposers for peroxides. In addition, such an additive inhibits the dehydrochlorination process, which is the main cause of poly(vinyl chloride) photodegradation.
Cytotoxicity Induction by the Oxidative Reactivity of Nanoparticles Revealed by a Combinatorial GNP Library with Diverse Redox Properties
Authors: Wang Shenqing , Yan Xiliang , Su Gaoxing , Yan Bing
Published: June 2021

It is crucial to establish relationship between nanoparticle structures (or properties) and nanotoxicity. Previous investigations have shown that a nanoparticle’s size, shape, surface and core materials all impact its toxicity. However, the relationship between the redox property of nanoparticles and their toxicity has not been established when all other nanoparticle properties are identical. Here, by synthesizing an 80-membered combinatorial gold nanoparticle (GNP) library with diverse redox properties, we systematically explored this causal relationship. The compelling results revealed that the oxidative reactivity of GNPs, rather than their other physicochemical properties, directly caused cytotoxicity via induction of cellular oxidative stress. Our results show that the redox diversity of nanoparticles is regulated by GNPs modified with redox reactive ligands.
Syntheses and Structural Investigations of Penta-Coordinated Co(II) Complexes with Bis-Pyrazolo-S-Triazine Pincer Ligands, and Evaluation of Their Antimicrobial and Antioxidant Activities
Authors: Soliman Saied M. , Massoud Raghdaa A. , Al-Rasheed Hessa H. , El-Faham Ayman
Published: June 2021

Two penta-coordinated [Co(MorphBPT)Cl2]; 1 and [Co(PipBPT)Cl2]; 2 complexes with the bis-pyrazolyl-s-triazine pincer ligands MorphBPT and PipBPT were synthesized and characterized. Both MorphBPT and PipBPT act as NNN-tridentate pincer chelates coordinating the Co(II) center with one short Co-N(s-triazine) and two longer Co-N(pyrazole) bonds. The coordination number of Co(II) is five in both complexes, and the geometry around Co(II) ion is a distorted square pyramidal in 1, while 2 shows more distortion. In both complexes, the packing is dominated by Cl…H, C-H…π, and Cl…C (anion-π stacking) interactions in addition to O…H interactions, which are found only in 1. The UV-Vis spectral band at 564 nm was assigned to metal–ligand charge transfer transitions based on TD-DFT calculations. Complexes 1 and 2 showed higher antimicrobial activity compared to the respective free ligand MorphBPT and PipBPT, which were not active. MIC values indicated that 2 had better activity against S. aureus, B. subtilis, and P. vulgaris than 1. DPPH free radical scavenging assay revealed that all the studied compounds showed weak to moderate antioxidant activity where the nature of the substituent at the s-triazine core has a significant impact on the antioxidant activity.
The Biotin–Avidin Interaction in Biotinylated Gold Nanoparticles and the Modulation of Their Aggregation
Authors: Lyu Yanchao , Martínez Álvaro , D’Incà Federica , Mancin Fabrizio , Scrimin Paolo
Published: June 2021

The biotin–avidin interaction is used as a binding tool for the conjugation of biomolecules for more diverse applications; these include nanoparticle conjugation. Despite this, a thorough investigation on the different aggregates that may result from the interaction of biotinylated nanoparticles (gold nanoparticles, AuNPs, in this work) with avidin has not been carried out so far. In this paper, we address this problem and show the type of aggregates formed under thermodynamic and kinetic control by varying the biotinylated AuNP/avidin ratio and the order of addition of the two partners. The analysis was performed by also addressing the amount of protein able to interact with the AuNPs surface and is fully supported by the TEM images collected for the different samples and the shift of the surface plasmon resonance band. We show that the percentage of saturation depends on the size of the nanoparticles, and larger nanoparticles (19 nm in diameter) manage to accommodate a relatively larger amount of avidins than smaller ones (11 nm). The AuNPs are isolated or form small clusters (mostly dimers or trimers) when a large excess or a very low amount of avidin is present, respectively, or form large clusters at stoichiometric concentration of the protein. Daisy-like systems are formed under kinetic control conditions when nanoparticles first covered with the protein are treated with a second batch of biotinylated ones but devoid of avidin.
Screening in Graphene: Response to External Static Electric Field and an Image-Potential Problem
Authors: Silkin Vyacheslav M. , Kogan Eugene , Gumbs Godfrey
Published: June 2021

We present a detailed first-principles investigation of the response of a free-standing graphene sheet to an external perpendicular static electric field E. The charge density distribution in the vicinity of the graphene monolayer that is caused by E was determined using the pseudopotential density-functional theory approach. Different geometries were considered. The centroid of this extra density induced by an external electric field was determined as zim = 1.048 Å at vanishing E, and its dependence on E has been obtained. The thus determined zim was employed to construct the hybrid one-electron potential which generates a new set of energies for the image-potential states.
Enhancement of Luminescence Efficiency of Y2O3 Nanophosphor via Core/Shell Structure
Authors: Hyun Jae-Young , Kim Ki-Hyun , Kim Jae-Pil , Im Won-Bin , Linganna Kadathala , Choi Ju-Hyeon
Published: June 2021

We successfully fabricated Y2O3:RE3+ (RE = Eu, Tb, and Dy) core and core–shell nanophosphors by the molten salt method and sol–gel processes with Y2O3 core size of the order of 100~150 nm. The structural and morphological studies of the RE3+-doped Y2O3 nanophosphors are analyzed by using XRD, SEM and TEM techniques, respectively. The concentration and annealing temperature dependent structural and luminescence characteristics were studied for Y2O3:RE3+ core and core–shell nanophosphors. It is observed that the XRD peaks became narrower as annealing temperature increased in the core–shell nanophosphor. This indicates that annealing at higher temperature improves the crystallinity which in turn enhances the average crystallite size. The emission intensity and quantum yield of the Eu3+-doped Y2O3 core and core–shell nanoparticles increased significantly when annealing temperature is varied from 450 to 550 °C. No considerable variation was noticed in the case of Y2O3:Tb3+ and Y2O3:Dy3+ core and core–shell nanophosphors.
Facile Synthesis of g-C3N4/MoO3 Nanohybrid for Efficient Removal of Aqueous Diclofenac Sodium
Authors: Rashid Jamshaid , Saleemi Faryal , Akram Bilal , Wang Lin , Hussain Naveed , Xu Ming
Published: June 2021

Graphitic carbon nitride modified by molybdenum trioxide (g-C3N4/MoO3) as a nanohybrid was synthesized by co-precipitation method. Here, g-C3N4/MoO3 nanohybrid was used for the first time as an adsorbent for the pharmaceutical drug, diclofenac, (an aqueous micropollutant) from water to mitigate its possible environmental toxic effects. Compared to pristine components, the nanohybrid exhibited better adsorptive removal of diclofenac. Adsorption was enhanced with increment in MoO3 content from 1 to 3 wt %; however further increment in MoO3 content resulted in lower adsorption capacity due to agglomeration of MoO3 particles over g-C3N4. 162 mg g−1 adsorption capacity was achieved for 300 mg L−1 diclofenac in solution with 1 g L−1 adsorbent at pH = 6. Adsorption of diclofenac over g-C3N4 /MoO3 followed pseudo 2nd order kinetics. Temkin, Langmuir, Dubinin Radushkevich and Freundlich isotherm models were applied on the experimental results concluding that diclofenac adsorption over g-C3N4/MoO3 followed the Langmuir isotherm. The adsorption mechanism could be explained by the π–π interaction between aromatic rings of diclofenac and g-C3N4/MoO3 (3%) nanohybrid, which is also evident by the FTIR results. This study presents the facile fabrication of a 2nd generation adsorbent for the treatment of diclofenac contaminated water that may as well help achieve the removal of other micropollutants form water.
Serological Evidence of Exposure to Spotted Fever Group and Typhus Group Rickettsiae in Australian Wildlife Rehabilitators
Authors: Mathews Karen O. , Phalen David , Norris Jacqueline M. , Stenos John , Toribio Jenny-Ann , Wood Nicholas , Graves Stephen , Sheehy Paul A. , Nguyen Chelsea , Bosward Katrina L.
Published: June 2021

Rickettsioses are arthropod-borne zoonotic diseases, several of which occur in Australia. This study aimed to assess the exposure levels and risk factors for Rickettsia spp. among Australian wildlife rehabilitators (AWRs) using serology, PCR and a questionnaire. Antibody titres against Spotted Fever Group (SFG), Typhus Group (TG) and Scrub Typhus Group (STG) antigens were determined using an immunofluorescence assay. PCR targeting the gltA gene was performed on DNA extracts from whole blood and serum. Logistic regression was used to identify risk factors associated with seropositivity. Of the 27 (22.1%; 27/122) seropositive participants all were seropositive for SFG, with 5/27 (4.1%) also positive for TG. Of the 27 positive sera, 14.8% (4/27) were further classified as exposure to R. australis, 3.7% (1/27) to R. honei, 3.7% (1/27) to R. felis and 77.8% (21/27) were classified as ‘indeterminate’—most of which (85.7%; 18/21) were indeterminate R. australis/R. honei exposures. Rickettsia DNA was not detected in whole blood or serum. Rehabilitators were more likely to be seropositive if more than one household member rehabilitated wildlife, were older than 50 years or had occupational animal contact. These findings suggest that AWRs are at increased risk of contracting Rickettsia-related illnesses, however the source of the increased seropositivity remains unclear.
Diversity and Function of Appressoria
Authors: Chethana K. W. Thilini , Jayawardena Ruvishika S. , Chen Yi-Jyun , Konta Sirinapa , Tibpromma Saowaluck , Abeywickrama Pranami D. , Gomdola Deecksha , Balasuriya Abhaya , Xu Jianping , Lumyong Saisamorn , Hyde Kevin D.
Published: June 2021

Endophytic, saprobic, and pathogenic fungi have evolved elaborate strategies to obtain nutrients from plants. Among the diverse plant-fungi interactions, the most crucial event is the attachment and penetration of the plant surface. Appressoria, specialized infection structures, have been evolved to facilitate this purpose. In this review, we describe the diversity of these appressoria and classify them into two main groups: single-celled appressoria (proto-appressoria, hyaline appressoria, melanized (dark) appressoria) and compound appressoria. The ultrastructure of appressoria, their initiation, their formation, and their function in fungi are discussed. We reviewed the molecular mechanisms regulating the formation and function of appressoria, their strategies to evade host defenses, and the related genomics and transcriptomics. The current review provides a foundation for comprehensive studies regarding their evolution and diversity in different fungal groups.
Proteomic Analysis of Fasciola hepatica Excretory and Secretory Products Co-Immunoprecipitated Using Time Course Infection Sera
Authors: Lan Zhuo , Liu Xiao-Lei , Lv Qing-Bo , Zeng Min-Hao , Gao Jun-Feng , Chang Qiao-Cheng , Chen Yuan-Yuan , Wang Chun-Ren
Published: June 2021

Fasciola hepatica is a widespread pathogen that is known for its harmful effects on the health and productivity of ruminant animals. To identify the proteins present in all periods of infection with F. hepatica but not in those with Fasciola gigantica by shotgun liquid chromatography–tandem mass spectrometry (LC–MS/MS), we collected the ESPs and sera of F. hepatica and F. gigantica. In this study, the sheep were artificially infected with F. hepatica and the sera were collected at five different periods: 3 days post-infection (dpi), 7 dpi, 21 dpi, 63 dpi, and 112 dpi. The interacting proteins were pulled down from the sheep sera of all five periods and the sera with F. gigantica by co-immunoprecipitation (Co-IP) assay, before being identified by LC–MS/MS analysis. Thirty, twenty-two, twenty-three, twenty-seven, and twenty-two proteins were pulled down by the infected sera at 3 dpi, 7 dpi, 21 dpi, 63 dpi, and 112 dpi, respectively. Among them, 12 proteins existed in all periods, while six proteins could be detected in all periods in F. hepatica but not in F. gigantica. Protein relative pathway analysis revealed that these proteins mainly refer to the metabolism, regulation of genetic activity, and signal transduction of F. hepatica. In conclusion, this study provides meaningful data for the diagnosis of fasciolosis and to understand the interactions between F. hepatica and the host.
Detection of Prions in Brain Homogenates and CSF Samples Using a Second-Generation RT-QuIC Assay: A Useful Tool for Retrospective Analysis of Archived Samples
Authors: Moško Tibor , Galušková Soňa , Matěj Radoslav , Brůžová Magdalena , Holada Karel
Published: June 2021

The possibilities for diagnosing prion diseases have shifted significantly over the last 10 years. The RT-QuIC assay option has been added for neuropsychiatric symptoms, supporting biomarkers and final post-mortem confirmation. Samples of brain homogenates used for final diagnosis, archived for many years, provide the possibility for retrospective studies. We used a second-generation RT-QuIC assay to detect seeding activity in different types of sporadic and genetic prion diseases in archival brain homogenates and post-mortem CSF samples that were 2 to 15 years old. Together, we tested 92 archival brain homogenates: 39 with definite prion disease, 28 with definite other neurological disease, and 25 with no signs of neurological disorders. The sensitivity and specificity of the assay were 97.4% and 100%, respectively. Differences were observed in gCJD E200K, compared to the sporadic CJD group. In 52 post-mortem CSF samples—24 with definite prion disease and 28 controls—we detected the inhibition of seeding reaction due to high protein content. Diluting the samples eliminated such inhibition and led to 95.8% sensitivity and 100% specificity of the assay. In conclusion, we proved the reliability of archived brain homogenates and post-mortem CSF samples for retrospective analysis by RT-QuIC after long-term storage, without changed reactivity.
Chromatic and Morphological Differentiation of Triatoma dimidiata (Hemiptera: Reduviidae) with Land Use Diversity in El Salvador
Authors: Carmona-Galindo Víctor D. , Sheppard Claire C. , Bastin Madelyn L. , Kehrig Megan R. , Marín-Recinos Maria F. , Choi Joyce J. , Castañeda de Abrego Vianney
Published: June 2021

Chagas disease is caused by the parasite Trypanosoma cruzi, which is transmitted by insect-vectors in the taxonomic subfamily Triatominae and affects approximately 8,000,000 people world-wide. Current mitigation strategies for Chagas focus on insecticides, infrastructure improvements, and management of symptoms, which are largely unsustainable in underserved communities where the disease is widespread. Transmission patterns of vector-borne diseases are known to adaptively respond to habitat change; as such, the objective of our study was to evaluate how the physical characteristics of Triatoma dimidiata would vary in relation to land use in El Salvador. We hypothesized that the color and morphology of T. dimidiata would change with municipal levels of urban and natural green space, natural green space, and agricultural space, as well as municipal diversity, richness, and evenness of land use types. Our results characterize how T. dimidiata color and morphology vary directly with anthropogenic changes to natural and agricultural environments, which are reflective of a highly adaptable population primed to respond to environmental change. Mitigation studies of Chagas disease should exploit the relationships between anthropogenic land use and T. dimidiata morphology to evaluate how the transmission pattern of T. cruzi and Chagas disease symptomology are impacted.
A Clinical Trial for the Identification of Metabolic Biomarkers in Hashimoto’s Thyroiditis and in Psoriasis: Study Protocol
Authors: Sarandi Evangelia , Kruger Krasagakis Sabine , Tsoukalas Dimitris , Rudofsky Gottfried , Tsatsakis Aristides
Published: June 2021

Hashimoto’s thyroiditis and psoriasis are inflammatory disorders that significantly impact patients’ quality of life, stressing the need for novel biomarkers of early diagnosis. This randomized clinical trial (NCT04693936) aims to identify Hashimoto’s thyroiditis’ and psoriasis’ metabolic biomarkers and to investigate the effect of environmental factors on the disease-related metabolic imprint and quality of life. Patients with Hashimoto’s thyroiditis, patients with psoriasis, and healthy individuals aged 18–60 will be recruited, enrolled according to eligibility criteria (medical history, clinical thyroid markers and the PASI score) and randomized to two groups. The intervention group will receive a combination of nutraceuticals for 6 months as part of a Mediterranean diet, and the control group will follow their usual diet. Data will be collected at baseline and the end of the study, including metabolite levels, lifestyle and anthropometric measurements, adherence to the Mediterranean diet (through the Mediterranean Diet Score) and disease-specific quality of life (through the Thyroid Patient Report Outcome for Hashimoto’s group, and the Dermatology Life Quality Index for the psoriasis group). This study will investigate metabolic biomarkers and related changes in Hashimoto’s thyroiditis and psoriasis and evaluate the association of metabolic changes with dietary factors and quality of life.
Phytoestrogens for the Management of Endometriosis: Findings and Issues
Authors: Cai Xia , Liu Min , Zhang Bing , Zhao Shao-Jie , Jiang Shi-Wen
Published: June 2021

Endometriosis, a chronic disease characterized by recurrent pelvic pain and infertility, severely impacts the health and life quality of many women worldwide. Since phytoestrogens are commonly found in a variety of foods, and estrogen is a major pathological factor for the pathogenesis of endometriosis, their possible involvement cannot be ignored. This review summarizes data on the relationship between phytoestrogen intake and endometriosis risk, and analyzes the findings from in vitro experiments, rodent endometriotic models, and human intervention trials. While favorable results were often obtained from endometrial primary cultures and animal models for resveratrol, isoflavones and puerarin, only resveratrol showed promising results in human intervention trials. Critical issues concerning the current study efforts are discussed: the possible reasons beneath the discrepant observations of estrogenic/anti-estrogenic effects by phytoestrogens; the complicated interplays between phytoestrogens and endogenous estrogens; the shortage of currently used animal models; the necessity to apply reasonable doses of phytoestrogens in experiments. It is expected that the analyses would help to more properly assess the phytoestrogens’ effects on the endometriosis pathogenesis and their potential values for preventive or therapeutic applications.
High-Density Dynamics of Laser Wakefield Acceleration from Gas Plasmas to Nanotubes
Authors: Nicks Bradley Scott , Barraza-Valdez Ernesto , Hakimi Sahel , Chesnut Kyle , DeGrandchamp Genevieve , Gage Kenneth , Housley David , Huxtable Gregory , Lawler Gerard , Lin Daniel , Manwani Pratik , Nelson Eric , Player Gabriel , Seggebruch Michael , Sweeney James , Tanner Joshua , Thompson Kurt , Tajima Toshiki
Published: June 2021

The electron dynamics of laser wakefield acceleration (LWFA) is examined in the high-density regime using particle-in-cell simulations. These simulations model the electron source as a target of carbon nanotubes. Carbon nanotubes readily allow access to near-critical densities and may have other advantageous properties for potential medical applications of electron acceleration. In the near-critical density regime, electrons are accelerated by the ponderomotive force followed by the electron sheath formation, resulting in a flow of bulk electrons. This behavior represents a qualitatively distinct regime from that of low-density LWFA. A quantitative entropy index for differentiating these regimes is proposed. The dependence of accelerated electron energy on laser amplitude is also examined. For the majority of this study, the laser propagates along the axis of the target of carbon nanotubes in a 1D geometry. After the fundamental high-density physics is established, an alternative, 2D scheme of laser acceleration of electrons using carbon nanotubes is considered.
The Role of Microbial Products in Green Enhanced Oil Recovery: Acetone and Butanone
Authors: Haq Bashirul
Published: June 2021

Green enhanced oil recovery is an oil recovery process involving the injection of specific environmentally friendly fluids (liquid chemicals and gases) that effectively displace oil due to their ability to alter the properties of enhanced oil recovery. In the microbial enhanced oil recovery (MEOR) process, microbes produce products such as surfactants, polymers, ketones, alcohols, and gases. These products reduce interfacial tension and capillary force, increase viscosity and mobility, alter wettability, and boost oil production. The influence of ketones in green surfactant-polymer (SP) formulations is not yet well understood and requires further analysis. The work aims to examine acetone and butanone’s effectiveness in green SP formulations used in a sandstone reservoir. The manuscript consists of both laboratory experiments and simulations. The two microbial ketones examined in this work are acetone and butanone. A spinning drop tensiometer was utilized to determine the interfacial tension (IFT) values for the selected formulations. Viscosity and shear rate across a wide range of temperatures were measured via a Discovery hybrid rheometer. Two core flood experiments were then conducted using sandstone cores at reservoir temperature and pressure. The two formulations selected were an acetone and SP blend and a butanone and SP mixture. These were chosen based on their IFT reduction and viscosity enhancement capabilities for core flooding, both important in assessing a sandstone core’s oil recovery potential. In the first formulation, acetone was mixed with alkyl polyglucoside (APG), a non-ionic green surfactant, and the biopolymer Xanthan gum (XG). This formulation produced 32% tertiary oil in the sandstone core. In addition, the acetone and SP formulation was effective at recovering residual oil from the core. In the second formulation, butanone was blended with APG and XG; the formulation recovered about 25% residual oil from the sandstone core. A modified Eclipse simulator was utilized to simulate the acetone and SP core-flood experiment and examine the effects of surfactant adsorption on oil recovery. The simulated oil recovery curve matched well with the laboratory values. In the sensitivity analysis, it was found that oil recovery decreased as the adsorption values increased.
Preparation and Performance Evaluation of Duotone 3D-Printed Polyetheretherketone as Oral Prosthetic Materials: A Proof-of-Concept Study
Authors: Ding Ling , Lu Wei , Zhang Jiaqi , Yang Chuncheng , Wu Guofeng
Published: June 2021

Literature has reported the successful use of 3D printed polyetheretherketone (PEEK) to fabricate human body implants and oral prostheses. However, the current 3D printed PEEK (brown color) cannot mimic the vivid color of oral tissues and thus cannot meet the esthetical need for dental application. Therefore, titanium dioxide (TiO2) and ferric oxide (Fe2O3) were incorporated into PEEK to prepare a series of tooth-color and gingival-color PEEK composites in this study. Through color measurements and mechanical tests, the color value and mechanical performance of the 3D printed PEEK composites were evaluated. In addition, duotone PEEK specimens were printed by a double nozzle with an interface between tooth-color and gingival-color parts. The mechanical performance of duotone PEEK with two different interfaces (horizontal and vertical) was investigated. With the addition of TiO2 and Fe2O3, the colors of 3D printed PEEK composites become closer to that of dental shade guides. 3D printed PEEK composites generally demonstrated superior tensile and flexural properties and hence have great potential in the dental application. In addition, duotone 3D printed PEEK with a horizontal interfacial orientation presented better mechanical performance than that with a vertical one.
Amorphous Carbon Coatings for Total Knee Replacements—Part I: Deposition, Cytocompatibility, Chemical and Mechanical Properties
Authors: Rothammer Benedict , Neusser Kevin , Marian Max , Bartz Marcel , Krauß Sebastian , Böhm Thomas , Thiele Simon , Merle Benoit , Detsch Rainer , Wartzack Sandro
Published: June 2021

Diamond-like carbon (DLC) coatings have the potential to reduce implant wear and thus to contribute to avoiding premature failure and increase service life of total knee replacements (TKAs). This two-part study addresses the development of such coatings for ultrahigh molecular weight polyethylene (UHMWPE) tibial inlays as well as cobalt–chromium–molybdenum (CoCr) and titanium (Ti64) alloy femoral components. While a detailed characterization of the tribological behavior is the subject of part II, part I focusses on the deposition of pure (a-C:H) and tungsten-doped hydrogen-containing amorphous carbon coatings (a-C:H:W) and the detailed characterization of their chemical, cytological, mechanical and adhesion behavior. The coatings are fabricated by physical vapor deposition (PVD) and display typical DLC morphology and composition, as verified by focused ion beam scanning electron microscopy and Raman spectroscopy. Their roughness is higher than that of the plain substrates. Initial screening with contact angle and surface tension as well as in vitro testing by indirect and direct application indicate favorable cytocompatibility. The DLC coatings feature excellent mechanical properties with a substantial enhancement of indentation hardness and elastic modulus ratios. The adhesion of the coatings as determined in modified scratch tests can be considered as sufficient for the use in TKAs.
The Effect of Heat Treatment toward Glycerol-Based, Photocurable Polymeric Scaffold: Mechanical, Degradation and Biocompatibility
Authors: Ao-Ieong Wai-Sam , Chien Shin-Tian , Jiang Wei-Cheng , Yet Shaw-Fang , Wang Jane
Published: June 2021

Photocurable polymers have become increasingly important for their quick prototyping and high accuracy when used in three dimensional (3D) printing. However, some of the common photocurable polymers are known to be brittle, cytotoxic and present low impact resistance, all of which limit their applications in medicine. In this study, thermal treatment was studied for its effect and potential applications on the mechanical properties, degradability and biocompatibility of glycerol-based photocurable polymers, poly(glycerol sebacate) acrylate (PGSA). In addition to the slight increase in elongation at break, a two-fold increase in both Young’s modulus and ultimate tensile strength were also observed after thermal treatment for the production of thermally treated PGSA (tPGSA). Moreover, the degradation rate of tPGSA significantly decreased due to the increase in crosslinking density in thermal treatment. The significant increase in cell viability and metabolic activity on both flat films and 3D-printed scaffolds via digital light processing-additive manufacturing (DLP-AM) demonstrated high in vitro biocompatibility of tPGSA. The histological studies and immune staining indicated that tPGSA elicited minimum immune responses. In addition, while many scaffolds suffer from instability through sterilization processes, it was proven that once glycerol-based polymers have been treated thermally, the influence of autoclaving the scaffolds were minimized. Therefore, thermal treatment is considered an effective method for the overall enhancement and stabilization of photocurable glycerol-based polymeric scaffolds in medicine-related applications.
Mechanism of the Breakage of Spherical Gypsum Particles under 3-Point Contact Conditions
Authors: Niu Yiran , Li Lin , Zhang Yanwei , Yu Shicai
Published: June 2021

Particle breakage has a great influence on the mechanical properties of coarse-grained soil materials. In the structure, a particle usually contacts with several surrounding particles when breakage occurs. The crushing mechanism of spherical particles under three-point contact conditions was investigated theoretically and experimentally. In the theoretical analysis, the contact force required for particle breakage is solved by using a stress superposition method based on the ball–ball contact model. To verify the theory, particle contact tests of gypsum spheres under three-point contact conditions were carried out. The experimental results are consistent with the theoretical prediction. Different from the ball–ball contact test, the rupture surface after breakage is a fixed plane passing through all three contact points under three-point contact conditions. Under multi-point contact conditions, the size of the conical core depends on the normal force on the contact point at the moment of particle breakage. Multi-point contact makes particle breakage more difficult, and the stronger the constraint of surrounding spheres, the more difficult it is for the particle to break. Both the theory and the experiment provide evidence that the arrangement of particles affects the overall strength of the coarse-grained soil structure.
Bio-Electrochemical System Depollution Capabilities and Monitoring Applications: Models, Applicability, Advanced Bio-Based Concept for Predicting Pollutant Degradation and Microbial Growth Kinetics via Gene Regulation Modelling
Authors: Tsipa Argyro , Varnava Constantina K. , Grenni Paola , Ferrara Vincenzo , Pietrelli Andrea
Published: June 2021

Microbial fuel cells (MFC) are an emerging technology for waste, wastewater and polluted soil treatment. In this manuscript, pollutants that can be treated using MFC systems producing energy are presented. Furthermore, the applicability of MFC in environmental monitoring is described. Common microbial species used, release of genome sequences, and gene regulation mechanisms, are discussed. However, although scaling-up is the key to improving MFC systems, it is still a difficult challenge. Mathematical models for MFCs are used for their design, control and optimization. Such models representing the system are presented here. In such comprehensive models, microbial growth kinetic approaches are essential to designing and predicting a biosystem. The empirical and unstructured Monod and Monod-type models, which are traditionally used, are also described here. Understanding and modelling of the gene regulatory network could be a solution for enhancing knowledge and designing more efficient MFC processes, useful for scaling it up. An advanced bio-based modelling concept connecting gene regulation modelling of specific metabolic pathways to microbial growth kinetic models is presented here; it enables a more accurate prediction and estimation of substrate biodegradation, microbial growth kinetics, and necessary gene and enzyme expression. The gene and enzyme expression prediction can also be used in synthetic and systems biology for process optimization. Moreover, various MFC applications as a bioreactor and bioremediator, and in soil pollutant removal and monitoring, are explored.
A Fully Wireless Wearable Motion Tracking System with 3D Human Model for Gait Analysis
Authors: Lee Kevin , Tang Wei
Published: June 2021

This paper presents a wearable motion tracking system with recording and playback features. This system has been designed for gait analysis and interlimb coordination studies. It can be implemented to help reduce fall risk and to retrain gait in a rehabilitation setting. Our system consists of ten custom wearable straps, a receiver, and a central computer. Comparing with similar existing solutions, the proposed system is affordable and convenient, which can be used in both indoor and outdoor settings. In the experiment, the system calculates five gait parameters and has the potential to identify deviant gait patterns. The system can track upper body parameters such as arm swing, which has potential in the study of pathological gaits and the coordination of the limbs.