bluuebunny/crossref_metadata_2025 huggingface dataset:
In Situ Growth of Halophilic Bacteria in Saline Fracture Fluids from 2.4 km below Surface in the Deep Canadian Shield
Authors: Wilpiszeski Regina L. , Sherwood Lollar Barbara , Warr Oliver , House Christopher H.
Published: November 2020

Energy derived from water-rock interactions such as serpentinization and radiolysis, among others, can sustain microbial ecosystems deep within the continental crust, expanding the habitable biosphere kilometers below the earth’s surface. Here, we describe a viable microbial community including sulfate-reducing microorganisms from one such subsurface lithoautotrophic ecosystem hosted in fracture waters in the Canadian Shield, 2.4 km below the surface in the Kidd Creek Observatory in Timmins, Ontario. The ancient groundwater housed in fractures in this system was previously shown to be rich in abiotically produced hydrogen, sulfate, methane, and short-chain hydrocarbons. We have further investigated this system by collecting filtered water samples and deploying sterile in situ biosampler units into boreholes to provide an attachment surface for the actively growing fraction of the microbial community. Scanning electron microscopy, energy-dispersive X-ray spectroscopy, and DNA sequencing analyses were undertaken to classify the recovered microorganisms. Moderately halophilic taxa (e.g., Marinobacter, Idiomarina, Chromohalobacter, Thiobacillus, Hyphomonas, Seohaeicola) were recovered from all sampled boreholes, and those boreholes that had previously been sealed to equilibrate with the fracture water contained taxa consistent with sulfate reduction (e.g., Desulfotomaculum) and hydrogen-driven homoacetogenesis (e.g., Fuchsiella). In contrast to this “corked” borehole that has been isolated from the mine environment for approximately 7 years at the time of sampling, we sampled additional open boreholes. The waters flowing freely from these open boreholes differ from those of the long-sealed borehole. This work complements ongoing efforts to describe the microbial diversity in fracture waters at Kidd Creek in order to better understand the processes shaping life in the deep terrestrial subsurface. In particular, this work demonstrates that anaerobic bacteria and known halophilic taxa are present and viable in the fracture waters presently outflowing from existing boreholes. Major cations and anions found in the fracture waters at the 2.4 km level of the mine are also reported.
Modeling and Composition Design of Low-Alloy Steel’s Mechanical Properties Based on Neural Networks and Genetic Algorithms
Authors: Zhu Zhenlong , Liang Yilong , Zou Jianghe
Published: November 2020

Accurately improving the mechanical properties of low-alloy steel by changing the alloying elements and heat treatment processes is of interest. There is a mutual relationship between the mechanical properties and process components, and the mechanism for this relationship is complicated. The forward selection-deep neural network and genetic algorithm (FS-DNN&GA) composition design model constructed in this paper is a combination of a neural network and genetic algorithm, where the model trained by the neural network is transferred to the genetic algorithm. The FS-DNN&GA model is trained with the American Society of Metals (ASM) Alloy Center Database to design the composition and heat treatment process of alloy steel. First, with the forward selection (FS) method, influencing factors—C, Si, Mn, Cr, quenching temperature, and tempering temperature—are screened and recombined to be the input of different mechanical performance prediction models. Second, the forward selection-deep neural network (FS-DNN) mechanical prediction model is constructed to analyze the FS-DNN model through experimental data to best predict the mechanical performance. Finally, the FS-DNN trained model is brought into the genetic algorithm to construct the FS-DNN&GA model, and the FS-DNN&GA model outputs the corresponding chemical composition and process when the mechanical performance increases or decreases. The experimental results show that the FS-DNN model has high accuracy in predicting the mechanical properties of 50 furnaces of low-alloy steel. The tensile strength mean absolute error (MAE) is 11.7 MPa, and the yield strength MAE is 13.46 MPa. According to the chemical composition and heat treatment process designed by the FS-DNN&GA model, five furnaces of Alloy1–Alloy5 low-alloy steel were smelted, and tensile tests were performed on these five low-alloy steels. The results show that the mechanical properties of the designed alloy steel are completely within the design range, providing useful guidance for the future development of new alloy steel.
A Smart Stent for Monitoring Eventual Restenosis: Computational Fluid Dynamic and Finite Element Analysis in Descending Thoracic Aorta
Authors: Chaparro-Rico Betsy D. M. , Sebastiano Fabio , Cafolla Daniele
Published: November 2020

Even though scientific studies of smart stents are extensive, current smart stents focus on pressure sensors. This paper presents a novel implantable biocompatible smart stent for monitoring eventual restenosis. The device is comprised of a metal mesh structure, a biocompatible and adaptable envelope, and pair-operated ultrasonic sensors for restenosis monitoring through flow velocity. Aside from continuous monitoring of restenosis post-implantation, it is also important to evaluate whether the stent design itself causes complications such as restenosis or thrombosis. Therefore, computational fluid dynamic (CFD) analysis before and after stent implantation were carried out as well as finite element analysis (FEA). The proposed smart stent was put in the descending thoracic section of a virtually reconstructed aorta that comes from a computed tomography (CT) scan. Blood flow velocity showed that after stent implantation, there is not liquid retention or vortex generation. In addition, blood pressures after stent implantation were within the normal blood pressure values. The stress and the factor of safety (FOS) analysis showed that the stress values reached by the stent are very far from the yield strength limit of the materials and that the stent is stiff enough to support the applied loads exported from the CFD results.
Estimation of Multilevel Simultaneous Equation Models through Genetic Algorithms
Authors: Hernández-Sanjaime Rocío , González Martín , López-Espín Jose J.
Published: November 2020

Problems in estimating simultaneous equation models when error terms are not intertemporally uncorrelated has motivated the introduction of a new multivariate model referred to as Multilevel Simultaneous Equation Model (MSEM). The maximum likelihood estimation of the parameters of an MSEM has been set forth. Because of the difficulties associated with the solution of the system of likelihood equations, the maximum likelihood estimator cannot be obtained through exhaustive search procedures. A hybrid metaheuristic that combines a genetic algorithm and an optimization method has been developed to overcome both technical and analytical limitations in the general case when the covariance structure is unknown. The behaviour of the hybrid metaheuristic has been discussed by varying different tuning parameters. A simulation study has been included to evaluate the adequacy of this estimator when error terms are not serially independent. Finally, the performance of this estimation approach has been compared with regard to other alternatives.
A Phase-Type Distribution for the Sum of Two Concatenated Markov Processes Application to the Analysis Survival in Bladder Cancer
Authors: García-Mora Belén , Santamaría Cristina , Rubio Gregorio
Published: November 2020

Stochastic processes are useful and important for modeling the evolution of processes that take different states over time, a situation frequently found in fields such as medical research and engineering. In a previous paper and within this framework, we developed the sum of two independent phase-type (PH)-distributed variables, each of them being associated with a Markovian process of one absorbing state. In that analysis, we computed the distribution function, and its associated survival function, of the sum of both variables, also PH-distributed. In this work, in one more step, we have developed a first approximation of that distribution function in order to avoid the calculation of an inverse matrix for the possibility of a bad conditioning of the matrix, involved in the expression of the distribution function in the previous paper. Next, in a second step, we improve this result, giving a second, more accurate approximation. Two numerical applications, one with simulated data and the other one with bladder cancer data, are used to illustrate the two proposed approaches to the distribution function. We compare and argue the accuracy and precision of each one of them by means of their error bound and the application to real data of bladder cancer.
Geometric Modeling Using New Cubic Trigonometric B-Spline Functions with Shape Parameter
Authors: Majeed Abdul , Abbas Muhammad , Qayyum Faiza , Miura Kenjiro T. , Misro Md Yushalify , Nazir Tahir
Published: November 2020

Trigonometric B-spline curves with shape parameters are equally important and useful for modeling in Computer-Aided Geometric Design (CAGD) like classical B-spline curves. This paper introduces the cubic polynomial and rational cubic B-spline curves using new cubic basis functions with shape parameter ξ∈[0,4]. All geometric characteristics of the proposed Trigonometric B-spline curves are similar to the classical B-spline, but the shape-adjustable is additional quality that the classical B-spline curves does not hold. The properties of these bases are similar to classical B-spline basis and have been delineated. Furthermore, uniform and non-uniform rational B-spline basis are also presented. C3 and C5 continuities for trigonometric B-spline basis and C3 continuities for rational basis are derived. In order to legitimize our proposed scheme for both basis, floating and periodic curves are constructed. 2D and 3D models are also constructed using proposed curves.
Asterosaponins: Structures, Taxonomic Distribution, Biogenesis and Biological Activities
Authors: Stonik Valentin A. , Kicha Alla A. , Malyarenko Timofey V. , Ivanchina Natalia V.
Published: November 2020

Asterosaponins are a class of steroid oligoglycosides isolated from starfish with characteristic structures and diverse biological activities. In this review, we have attempted to combine the most important data concerning asterosaponins and give a list of these secondary metabolites with their structural peculiarities. The purpose of this review is to provide a brief but as complete as possible principal information about their chemical structures, taxonomic distribution in the marine environment, distribution in different geographical areas and depths, some properties, biological activities, and functions. Some other rare steroid metabolites from starfish, closely related in structures and probably biogenesis to asterosaponins, are also discussed.
Proteoglycan from Bacillus sp. BS11 Inhibits the Inflammatory Response by Suppressing the MAPK and NF-κB Pathways in Lipopolysaccharide-Induced RAW264.7 Macrophages
Authors: Wang Qingchi , Liu Weixiang , Yue Yang , Sun Chaomin , Zhang Quanbin
Published: November 2020

Inflammation is involved in the pathogenesis of many debilitating diseases. Proteoglycan isolated from marine Bacillus sp. BS11 (EPS11) was shown to have anticancer activity, but its anti-inflammatory potential remains elusive. In the present study, the anti-inflammatory effects and mechanism of EPS11 were evaluated using a lipopolysaccharide (LPS)-induced RAW264.7 macrophage model. Biochemical characterization showed that the total sugar content and protein content of EPS11 were 49.5% and 30.2% respectively. EPS11 was composed of mannose, glucosamine, galactosamine, glucose, galactose, rhamnose, and glucuronic acid. Its molecular weight was determined to be 3.06 × 105 Da. The protein determination of EPS11 was also performed. EPS11 displayed a strong anti-inflammatory effect on LPS-stimulated RAW264.7 macrophages in vitro, which significantly suppressed inflammatory cytokines and mediators (such as NO, TNF-α, IL-6 and IL-1β, and COX-2). Western blot analysis indicated that EPS11 could downregulate the expression of many key proteins in mitogen-activated protein kinases (MAPKs) and transcription factor nuclear factor-κB (NF-κB) signaling pathways. In particular, EPS11 almost completely inhibited the expression of NF-κB P65, which indicated that EPS11 acted primarily on the NF-κB pathways. These findings offer new insights into the molecular mechanism underlying the anti-inflammatory effect of EPS11.
A Double-Deck Self-Digitization Microfluidic Chip for Digital PCR
Authors: Xu Gangwei , Si Huaqing , Jing Fengxiang , Sun Peng , Zhao Dan , Wu Dongping
Published: November 2020

In this work, a double-deck microfluidic chip was presented for digital PCR application. This chip consists of two reverse-placed micro-patterned polydimethylsiloxane (PDMS) layers between the top and bottom glass substrates. Each micropatterned PDMS layer contains more than 20,000 cylindrical micro-chambers to hold the partitioned droplets. The double-deck designs can double the number of chambers and reagent capacity without changing the planar area of the chip. In addition, carbon black was mixed into the pure PDMS gel to obstruct the passage of fluorescence from the positive chambers between the two layers of the chip. Thus, the fluorescence signal of micro-chambers in different layers of the chip after PCR can be collected without mutual interference. The quantitative capability of the proposed chip was evaluated by measuring a 10-fold serial dilution of the DNA template. A high accuracy of the absolute quantification for nucleic acid with a dynamic range of 105 was demonstrated by this chip in this work. Owing to its characteristics of small planar area, large capacity, and sensitivity, the double-deck microfluidic chip is expected to further promote the extensive applications of digital PCR.
Editorial on the Special Issue on Recent Advances of Molecular Machines and Molecular Robots
Authors: Takinoue Masahiro , Kawano Ryuji
Published: November 2020

Molecular machines and molecular robots are a highly interdisciplinary research field including material science, chemistry, biotechnology, biophysics, soft matter physics, micro-electromechanical systems (MEMS), and computer science [...]
Global Proteomic Profiling of Piscirickettsia salmonis and Salmon Macrophage-Like Cells during Intracellular Infection
Authors: Ortiz-Severín Javiera , Travisany Dante , Maass Alejandro , Cambiazo Verónica , Chávez Francisco P.
Published: November 2020

Piscirickettsiasalmonis is an intracellular bacterial fish pathogen that causes piscirickettsiosis, a disease with numerous negative impacts in the Chilean salmon farming industry. Although transcriptomic studies of P. salmonis and its host have been performed, dual host–pathogen proteomic approaches during infection are still missing. Considering that gene expression does not always correspond with observed phenotype, and bacteriological culture studies inadequately reflect infection conditions, to improve the existing knowledge for the pathogenicity of P. salmonis, we present here a global proteomic profiling of Salmon salar macrophage-like cell cultures infected with P. salmonis LF-89. The proteomic analyses identified several P. salmonis proteins from two temporally different stages of macrophages infection, some of them related to key functions for bacterial survival in other intracellular pathogens. Metabolic differences were observed in early-stage infection bacteria, compared to late-stage infections. Virulence factors related to membrane, lipopolysaccharide (LPS) and surface component modifications, cell motility, toxins, and secretion systems also varied between the infection stages. Pilus proteins, beta-hemolysin, and the type VI secretion system (T6SS) were characteristic of the early-infection stage, while fimbria, upregulation of 10 toxins or effector proteins, and the Dot/Icm type IV secretion system (T4SS) were representative of the late-infection stage bacteria. Previously described virulence-related genes in P. salmonis plasmids were identified by proteomic assays during infection in SHK-1 cells, accompanied by an increase of mobile-related elements. By comparing the infected and un-infected proteome of SHK-1 cells, we observed changes in cellular and redox homeostasis; innate immune response; microtubules and actin cytoskeleton organization and dynamics; alteration in phagosome components, iron transport, and metabolism; and amino acids, nucleoside, and nucleotide metabolism, together with an overall energy and ATP production alteration. Our global proteomic profiling and the current knowledge of the P. salmonis infection process allowed us to propose a model of the macrophage–P. salmonis interaction.
Glycerophosphodiester Phosphodiesterase Identified as Non-Reliable Serological Marker for Borrelia miyamotoi Disease
Authors: Reiter Michael , Stelzer Theresa , Schötta Anna M. , Markowicz Mateusz , Leschnik Michael , Harsch Anna , Reiß Edda , Kneusel Richard E. , Stockinger Hannes , Stanek Gerold
Published: November 2020

The relapsing fever group Borrelia miyamotoi is an emerging tick-borne pathogen. Diagnosis of infection is currently mainly based on serological methods detecting antibodies against B. miyamotoi glycerophosphodiester phosphodiesterase (GlpQ). Here, we scrutinized the reliability of GlpQ as a diagnostic marker and compared the seroprevalence in different study populations and by applying various immunoblotting methods. Antibodies were detected in the sera of 7/53 hunters and in 1/11 sera of Lyme neuroborreliosis patients. Furthermore, 17/74 sera of persons with high concentrations of anti-Borrelia burgdorferi sensu lato (α-Bbsl) antibodies reacted strongly with B. miyamotoi GlpQ in immunoblots. The B. miyamotoi GlpQ seroprevalence was 7/50 in α-Bbsl negative persons. In healthy blood donors from commercial suppliers and from the Austrian Red Cross, seroprevalences were 5/14 and 10/35, respectively. Strikingly, two B. miyamotoi PCR-positive cases from Austria had negative GlpQ serology, indicating poor sensitivity. Finally, when we analyzed sera of dogs, we found α-B. miyamotoi GlpQ antibody seroprevalence in tick-free dogs (n = 10) and in tick-exposed dogs (n = 19) with 2/10 and 8/19, respectively. Thus, our results indicate that GlpQ-based B. miyamotoi serology holds neither specificity nor sensitivity.
Transcriptional Landscape of Waddlia chondrophila Aberrant Bodies Induced by Iron Starvation
Authors: Ardissone Silvia , Scherler Aurélie , Pillonel Trestan , Martin Virginie , Kebbi-Beghdadi Carole , Greub Gilbert
Published: November 2020

Chronic infections caused by obligate intracellular bacteria belonging to the Chlamydiales order are related to the formation of persistent developmental forms called aberrant bodies (ABs), which undergo DNA replication without cell division. These enlarged bacteria develop and persist upon exposure to different stressful conditions such as β-lactam antibiotics, iron deprivation and interferon-γ. However, the mechanisms behind ABs biogenesis remain uncharted. Using an RNA-sequencing approach, we compared the transcriptional profile of ABs induced by iron starvation to untreated bacteria in the Chlamydia-related species Waddliachondrophila, a potential agent of abortion in ruminants and miscarriage in humans. Consistent with the growth arrest observed following iron depletion, our results indicate a significant reduction in the expression of genes related to energy production, carbohydrate and amino acid metabolism and cell wall/envelope biogenesis, compared to untreated, actively replicating bacteria. Conversely, three putative toxin-antitoxin modules were among the most up-regulated genes upon iron starvation, suggesting that their activation might be involved in growth arrest in adverse conditions, an uncommon feature in obligate intracellular bacteria. Our work represents the first complete transcriptomic profile of a Chlamydia-related species in stressful conditions and sets the grounds for further investigations on the mechanisms underlying chlamydial persistence.
Current Status and Future Strategies to Increase Secondary Metabolite Production from Cyanobacteria
Authors: Jeong Yujin , Cho Sang-Hyeok , Lee Hookeun , Choi Hyung-Kyoon , Kim Dong-Myung , Lee Choul-Gyun , Cho Suhyung , Cho Byung-Kwan
Published: November 2020

Cyanobacteria, given their ability to produce various secondary metabolites utilizing solar energy and carbon dioxide, are a potential platform for sustainable production of biochemicals. Until now, conventional metabolic engineering approaches have been applied to various cyanobacterial species for enhanced production of industrially valued compounds, including secondary metabolites and non-natural biochemicals. However, the shortage of understanding of cyanobacterial metabolic and regulatory networks for atmospheric carbon fixation to biochemical production and the lack of available engineering tools limit the potential of cyanobacteria for industrial applications. Recently, to overcome the limitations, synthetic biology tools and systems biology approaches such as genome-scale modeling based on diverse omics data have been applied to cyanobacteria. This review covers the synthetic and systems biology approaches for advanced metabolic engineering of cyanobacteria.
Mycobacterium microti Interferes with Bovine Tuberculosis Surveillance
Authors: Michelet Lorraine , de Cruz Krystel , Tambosco Jennifer , Hénault Sylvie , Boschiroli Maria Laura
Published: November 2020

Mycobacterium microti, a member of the Mycobacterium tuberculosis complex, was originally described as the cause of tuberculosis in wild rodents. However, in the last few years, an increasing number of cases have been reported in wildlife (wild boars and badgers) and livestock (goat and cattle) in the frame of bovine tuberculosis (bTB) surveillance program, demonstrating the risk of interference with bTB diagnosis in France. In 2019, we detected four cattle infected with M.microti, from three different herds in three different distant regions. For all these cases, ante-mortem diagnosis by the skin test (single intradermal comparative cervical tuberculin (SICCT)) was positive. Confirmation of M.microti infection was based on molecular tests, i.e., specific real-time PCR and spoligotyping. These results highlight a non-negligible risk of interference in the bTB diagnosis system and raise concern about the reliability of diagnostic tests used for bTB surveillance. The use of highly specific tests, like the interferon gamma test (IFN-γ) employed in France or new synthetic specific tuberculins for skin testing could alternatively be used to accurately identify M.bovis (or Mycobacterium caprae) infection at ante-mortem examination. At post-mortem diagnosis, the use of specific molecular tools should be considered to accurately distinguish pathogens within the MTBC and to avoid misleading bTB diagnosis.
Chemical Characterization and Antibiofilm Activities of Bulbs and Leaves of Two Aglione (Allium ampeloprasum var. holmense Asch. et Graebn.) Landraces Grown in Southern Italy
Authors: Caputo Lucia , Amato Giuseppe , Fratianni Florinda , Coppola Raffaele , Candido Vincenzo , De Feo Vincenzo , Nazzaro Filomena
Published: November 2020

The present study was carried out to determine some biochemical characteristics, in particular the total polyphenol content and the free radical scavenging activity, of the extracts recovered from bulbs and aerial parts (these last often considered as by-products) of two landraces of A. ampeloprasum var. holmense cultivated in Southern Italy. For the first time, the capacity of the extracts of these landraces to inhibit the formation of biofilm of different Gram-negative and Gram-positive bacteria and to affect the metabolism of the cells present within the bacterial biofilm was evaluated. All extracts exhibited an amount of total polyphenols not lower than 2.86 mg/g of dried product and revealed a noteworthy antioxidant activity, with EC50 values not exceeding 4.95 mg. In both cases, the aerial parts extracts were more effective than the bulb extracts, which also showed a minor amount of total polyphenols. The extracts inhibited mainly the adhesive capability of Pseudomonas aeruginosa and Staphylococcus aureus, by 95.78% and 85.01%, respectively. The extracts demonstrated to inhibit also the metabolism of the bacterial cells reaching levels up to 90%. Finally, as assessed by the assays performed on the 24-h preformed biofilms, all the extracts were also capable to cause a reduction in bacterial biomass and to affect their metabolism.
Leptospermum petersonii as a Potential Natural Food Preservative
Authors: Afolabi Wasiu Olalekan , Hussein Ahmed , Shode Francis Oluwole , Le Roes-Hill Marilize , Rautenbach Fanie
Published: November 2020

Leptospermum petersonii (family Myrtaceae) is often cultivated for ornamental purposes but also serves as a rich source of bioactive essential oils. While several studies focused on the activities of the essential oils, this study analysed the potential of spent L. petersonii leaves as a natural food preservative. Method: We investigated the in vitro antioxidant and antimicrobial activities of crude L. petersonii extracts against activities of the purified isolated flavonoid, 6-methyltectochrysin, which was characterized using spectroscopic methods. The antioxidant assays followed ORAC, FRAP and TEAC tests. The antimicrobial activities of the extract and purified flavonoid were analysed against six multi-drug resistant microbial strains in broth dilution assays. Result: The results revealed that both the crude extracts and isolated 6-methyltectochrysin exhibited positive radical ion scavenging antioxidant potential, however the crude extract was about 6-fold more potent antioxidant than the purified 6-methyltectochrysin. The crude extract also showed strong antimicrobial activities against Bacillus cereus, and even more potent antimicrobial agent than the reference ampicillin antibiotic against Klebsiella pneumoniae subsp. pneumoniae. A higher resistance was observed for the tested Gram-negative strains than for the Gram-positive ones. 6-methyltectochrysin was generally inactive in the antimicrobial assays. Conclusion: The crude methanolic extract showed significant bioactivity which validates the medicinal relevance of the plant. The observed biological activities, especially against a notorious strain of B. cereus, suggest that L. petersonii could be a promising natural source of food preservatives.
Synthesis of 5′-Thiamine-Capped RNA
Authors: Möhler Marvin , Höfer Katharina , Jäschke Andres
Published: November 2020

RNA 5′-modifications are known to extend the functional spectrum of ribonucleotides. In recent years, numerous non-canonical 5′-modifications, including adenosine-containing cofactors from the group of B vitamins, have been confirmed in all kingdoms of life. The structural component of thiamine adenosine triphosphate (thiamine-ATP), a vitamin B1 derivative found to accumulate in Escherichia coli and other organisms in response to metabolic stress conditions, suggests an analogous function as a 5′-modification of RNA. Here, we report the synthesis of thiamine adenosine dinucleotides and the preparation of pure 5′-thiamine-capped RNAs based on phosphorimidazolide chemistry. Furthermore, we present the incorporation of thiamine-ATP and thiamine adenosine diphosphate (thiamine-ADP) as 5′-caps of RNA by T7 RNA polymerase. Transcripts containing the thiamine modification were modified specifically with biotin via a combination of thiazole ring opening, nucleophilic substitution and copper-catalyzed azide-alkyne cycloaddition. The highlighted methods provide easy access to 5′-thiamine RNA, which may be applied in the development of thiamine-specific RNA capture protocols as well as the discovery and confirmation of 5′-thiamine-capped RNAs in various organisms.
Impact of C-Terminal Chemistry on Self-Assembled Morphology of Guanosine Containing Nucleopeptides
Authors: Boback Katherine , Bacchi Katherine , O’Neill Sarah , Brown Samantha , Dorsainvil Jovelt , Smith-Carpenter Jillian E.
Published: November 2020

Herein, we report the design and characterization of guanosine-containing self-assembling nucleopeptides that form nanosheets and nanofibers. Through spectroscopy and microscopy analysis, we propose that the peptide component of the nucleopeptide drives the assembly into β-sheet structures with hydrogen-bonded guanosine forming additional secondary structures cooperatively within the peptide framework. Interestingly, the distinct supramolecular morphologies are driven not by metal cation responsiveness common to guanine-based materials, but by the C-terminal peptide chemistry. This work highlights the structural diversity of self-assembling nucleopeptides and will help advance the development of applications for these supramolecular guanosine-containing nucleopeptides.
Magnetization Lifetimes Prediction and Measurements Using Long-Lived Spin States in Endogenous Molecules
Authors: Teleanu F. , Tuță C. , Cucoanes A. , Vasilca S. , Vasos P. R.
Published: November 2020

Nuclear magnetization storage in biologically-relevant molecules opens new possibilities for the investigation of metabolic pathways, provided the lifetimes of magnetization are sufficiently long. Dissolution-dynamic nuclear polarization-based spin-order enhancement, sustained by long-lived states can measure the ratios between concentrations of endogenous molecules on a cellular pathway. These ratios can be used as meters of enzyme function. Biological states featuring intracellular amino-acid concentrations that are depleted or replenished in the course of in-cell or in-vivo tests of drugs or radiation treatments can be revealed. Progressing from already-established long-lived states, we investigated related spin order in the case of amino acids and other metabolites featuring networks of coupled spins counting up to eight nuclei. We detail a new integrated theoretical approach between quantum chemistry simulations, chemical shifts, J-couplings information from databanks, and spin dynamics calculations to deduce a priori magnetization lifetimes in biomarkers. The lifetimes of long-lived states for several amino acids were also measured experimentally in order to ascertain the approach. Experimental values were in fair agreement with the computed ones and prior data in the literature.
Neuro-Transistor Based on UV-Treated Charge Trapping in MoTe2 for Artificial Synaptic Features
Authors: Rehman Shania , Khan Muhammad Farooq , Rahmani Mehr Khalid , Kim Honggyun , Patil Harshada , Khan Sobia Ali , Kang Moon Hee , Kim Deok-kee
Published: November 2020

The diversity of brain functions depend on the release of neurotransmitters in chemical synapses. The back gated three terminal field effect transistors (FETs) are auspicious candidates for the emulation of biological functions to recognize the proficient neuromorphic computing systems. In order to encourage the hysteresis loops, we treated the bottom side of MoTe2 flake with deep ultraviolet light in ambient conditions. Here, we modulate the short-term and long-term memory effects due to the trapping and de-trapping of electron events in few layers of a MoTe2 transistor. However, MoTe2 FETs are investigated to reveal the time constants of electron trapping/de-trapping while applying the gate-voltage pulses. Our devices exploit the hysteresis effect in the transfer curves of MoTe2 FETs to explore the excitatory/inhibitory post-synaptic currents (EPSC/IPSC), long-term potentiation (LTP), long-term depression (LTD), spike timing/amplitude-dependent plasticity (STDP/SADP), and paired pulse facilitation (PPF). Further, the time constants for potentiation and depression is found to be 0.6 and 0.9 s, respectively which seems plausible for biological synapses. In addition, the change of synaptic weight in MoTe2 conductance is found to be 41% at negative gate pulse and 38% for positive gate pulse, respectively. Our findings can provide an essential role in the advancement of smart neuromorphic electronics.
Supervised Physical Therapy and Polymyositis/Dermatomyositis—A Systematic Review of the Literature
Authors: Corrado Bruno , Ciardi Gianluca , Lucignano Laura
Published: November 2020

Objective: to find the most up-to-date evidence of the effectiveness and safety of supervised physical therapy in polymyositis/dermatomyositis patients. Methods: a systematic review of the literature in the main scientific databases was carried out. We searched for randomized controlled trials concerning supervised physical therapy and polymyositis/dermatomyositis. The PICOS method was used for the formulation of the clinical query. Methodological quality and the level of evidence of the included studies were assessed using the modified Jadad scale and the Oxford Centre for Evidence-Based Medicine Levels of Evidence guide, respectively. Results: a total of 2591 articles were found. By applying the inclusion/exclusion criteria, six randomized controlled clinical trials were admitted to the final phase of the review. The compared approaches concerned supervised exercise programs based on strategies of muscle strengthening or aerobic work. Following these exercises, an increase in the maximum rate of oxygen consumption, a decrease in creatine phosphokinase levels, an enhancement in the patient’s aerobic performance and an improvement in the quality of life indexes were registered. The methodological quality of the included studies ranged from 3 to 4.5. All the studies were classified as presenting an evidence level of 2b. Conclusions: supervised physical therapy in polymyositis/dermatomyositis is an effective, safe and free-of-contraindications tool to be used both in the acute and in the established phases of the pathology. However, further and higher-quality studies are necessary to confirm those findings, to clarify the timing of exercise delivery and to guide the choice towards different types of muscle contraction exercises.
Epigenetic Patterns in Five-Year-Old Children Exposed to a Low Glycemic Index Dietary Intervention during Pregnancy: Results from the ROLO Kids Study
Authors: Geraghty Aisling A. , Sexton-Oates Alex , O’Brien Eileen C. , Saffery Richard , McAuliffe Fionnuala M.
Published: November 2020

A range of in utero and early-life factors can influence offspring epigenetics, particularly DNA methylation patterns. This study aimed to investigate the influence of a dietary intervention and factors in pregnancy on offspring epigenetic profile at five years of age. We also explored associations between body composition and methylation profile in a cross-sectional analysis. Sixty-three five-year-olds were selected from the ROLO Kids Study, a Randomized controlled trial Of a LOw glycemic index dietary intervention from the second trimester of pregnancy. DNA methylation was investigated in 780,501 CpG sites in DNA isolated from saliva. Principal component analysis identified no association between maternal age, weight, or body mass index (BMI) during pregnancy and offspring DNA methylation (p > 0.01). There was no association with the dietary intervention during pregnancy, however, gene pathway analysis identified functional clusters involved in insulin secretion and resistance that differed between the intervention and control. There were no associations with child weight or adiposity at five years of age; however, change in weight from six months was associated with variation in methylation. We identified no evidence of long-lasting influences of maternal diet or factors on DNA methylation at age five years. However, changes in child weight were associated with the methylome in childhood.
The Effects of a Mediterranean Diet Intervention on Targeted Plasma Metabolic Biomarkers among US Firefighters: A Pilot Cluster-Randomized Trial
Authors: Sotos-Prieto Mercedes , Ruiz-Canela Miguel , Song Yiqing , Christophi Costas , Mofatt Steven , Rodriguez-Artalejo Fernando , Kales Stefanos N.
Published: November 2020

Metabolomics is improving the understanding of the mechanisms of the health effects of diet. Previous research has identified several metabolites associated with the Mediterranean Diet (MedDiet), but knowledge about longitudinal changes in metabolic biomarkers after a MedDiet intervention is scarce. A subsample of 48 firefighters from a cluster-randomized trial at Indianapolis fire stations was randomly selected for the metabolomics study at 12 months of follow up (time point 1), where Group 1 (n = 24) continued for another 6 months in a self-sustained MedDiet intervention, and Group 2 (n = 24), the control group at that time, started with an active MedDiet intervention for 6 months (time point 2). A total of 225 metabolites were assessed at the two time points by using a targeted NMR platform. The MedDiet score improved slightly but changes were non-significant (intervention: 24.2 vs. 26.0 points and control group: 26.1 vs. 26.5 points). The MedDiet intervention led to favorable changes in biomarkers related to lipid metabolism, including lower LDL-C, ApoB/ApoA1 ratio, remnant cholesterol, M-VLDL-CE; and higher HDL-C, and better lipoprotein composition. This MedDiet intervention induces only modest changes in adherence to the MedDiet and consequently in metabolic biomarkers. Further research should confirm these results based on larger study samples in workplace interventions with powerful study designs.
The Contribution of the Humanities and Social Sciences to Pharmacy Education: Literature Review and Perspectives
Authors: Boulliat Caroline , Darlington Emily , Faure Marie-Ange , Massoubre Bernard , Dussart Claude
Published: November 2020

Background: Healthcare systems worldwide adapt to patients’ needs and expectations, following social evolutions. Pharmaceutical practice has shifted towards activities such as therapeutic education. Such new missions require to prioritize human and social sciences, which now play a predominant role in training. Objective: This work consists of assessing the contribution of human and social sciences to the field of pharmacy, with a twofold focus on practice and training. Method: A literature review was carried out according to the PRISMA guidelines focusing on the last 10 years. Selected full texts were read and analyzed to elicit the contribution of human and social sciences to pharmacy. Results: Overall 36 articles were included. Three specific topics were identified during an inductive process of full text analysis: public health policy, patient care, and interprofessional collaboration. Conclusions: Although human and social sciences are essential to the evolution of the pharmacist profession, their impact on health care costs remains difficult to evaluate. Moreover, teaching human and social sciences can prove difficult to standardize. Such approaches must be supported and organized by governments and universities with a view of upscaling practices.
Toward the Genetic Basis and Multiple QTLs of Kernel Hardness in Wheat
Authors: Tu Min , Li Yin
Published: November 2020

Kernel hardness is one of the most important single traits of wheat seed. It classifies wheat cultivars, determines milling quality and affects many end-use qualities. Starch granule surfaces, polar lipids, storage protein matrices and Puroindolines potentially form a four-way interaction that controls wheat kernel hardness. As a genetic factor, Puroindoline polymorphism explains over 60% of the variation in kernel hardness. However, genetic factors other than Puroindolines remain to be exploited. Over the past two decades, efforts using population genetics have been increasing, and numerous kernel hardness-associated quantitative trait loci (QTLs) have been identified on almost every chromosome in wheat. Here, we summarize the state of the art for mapping kernel hardness. We emphasize that these steps in progress have benefitted from (1) the standardized methods for measuring kernel hardness, (2) the use of the appropriate germplasm and mapping population, and (3) the improvements in genotyping methods. Recently, abundant genomic resources have become available in wheat and related Triticeae species, including the high-quality reference genomes and advanced genotyping technologies. Finally, we provide perspectives on future research directions that will enhance our understanding of kernel hardness through the identification of multiple QTLs and will address challenges involved in fine-tuning kernel hardness and, consequently, food properties.
Vacillantins A and B, New Anthrone C-glycosides, and a New Dihydroisocoumarin Glucoside from Aloe vacillans and Its Antioxidant Activities
Authors: Al-Tamimi Maram , Al-Massarani Shaza M. , El-Gamal Ali A. , Basudan Omer A. , Abdel-Kader Maged S. , Abdel-Mageed Wael M.
Published: November 2020

A new dihydroisocoumarin glucoside, vacillanoside (3), and two new anthrone C-glycosides microdantin derivatives; vacillantin A (10) and B (11), together with nine known compounds belonging to the anthraquinone, anthrone and isocoumarin groups were isolated from the leaves of Aloe vacillans. The structures were determined based on spectroscopic evidence including 1D and 2D nuclear magnetic resonance (NMR) spectroscopy and high resolution mass spectrometry (HRESIMS) data, along with comparisons to reported data. The leaves were used to extract compounds with different solvents. The extracts were tested for antioxidant activity with a variety of in vitro tests including 2,2-diphenyl-1-picrylhydrazyl (DPPH•), 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonate (ABTS•+), ferric reducing antioxidant power assay (FRAP), superoxide, and nitric oxide radical scavenging assays. The dichloromethane fraction was most active, displaying significant free radical scavenging activity. The n-butanol fraction also showed notable activity in all assays. Therefore, these findings support the potential use of A. vacillans leaves as an antioxidant medication due to the presence of polyphenolic compounds.
Fabrication and Characterization of PEEK/PEI Multilayer Composites
Authors: Alvaredo-Atienza Ángel , Chen Lu , San-Miguel Verónica , Ridruejo Álvaro , Fernández-Blázquez Juan P.
Published: November 2020

Polyetheretherketone (PEEK)/polyetherimide (PEI) blends (50/50, v/v) keeping the crystal phase of PEEK have been manufactured by alternate PEEK/PEI layer stacking. This strategy avoided the complete miscibility of both polymers, keeping layers of PEEK and PEI unmixed along the sample thickness, as well as promoting the formation of a smooth interfacial layer where PEEK and PEI were mixed. The properties of this interface after processing at molten state and different times was studied by DSC, DMA, and X-Ray synchrotron. These techniques allowed monitoring the evolution of glass transition, where isolated Tg’s for both pristine polymers were observed even after long processing time. PEEK crystallinity slightly decreased during manufacturing, whereas PEEK crystal parameters did not vary. These observations show that, although the interface—the zone where both polymers are mixed—grew, layers with pristine polymers remained even after prolonged processing time. The preservation of the PEEK crystallinity was also observed in the mechanical properties of the multilayer PEEK/PEI films, which were compared with pristine PEEK and PEI films. Multilayer samples processed for shorter times rendered higher young modulus, tensile strength, and strain at break.
Hydrophilicity Improvement of Polymer Surfaces Induced by Simultaneous Nuclear Transmutation and Oxidation Effects Using High-Energy and Low-Fluence Helium Ion Beam Irradiation
Authors: Kim Jung Woo , Yoo Seung Hwa , Kong Young Bae , Cho Sung Oh , Lee Eun Je
Published: November 2020

Two commodity polymers, polystyrene (PS) and high-density polyethylene (HDPE), were irradiated by high-energy He ion beams at low fluence to examine the wettability changes at different fluences. The water contact angles of the PS and HDPE surfaces were reduced from 78.3° to 46.7° and 81.5° to 58.5°, respectively, upon increasing the fluence from 0 to 1 × 1013 He2+/cm2 for irradiation durations ≤4 min. Surface analyses were performed to investigate these wettability changes. Surface texture evaluations via scanning electron and atomic force microscopies indicated non-remarkable changes by irradiation. However, the chemical structures of the irradiated polymer surfaces were notable. The high-energy He ions induced nuclear transmutation of C to N, leading to C–N bond formation in the polymer chains. Further, C–O and C=O bonds were formed during irradiation in air because of polymer oxidation. Finally, amide and ester groups were generated by irradiation. These polar groups improved hydrophilicity by increasing surface energies. Experiments with other polymers can further elucidate the correlation between polymer structure and surface wettability changes due to high-energy low-fluence He ion irradiation. This method can realize simple and effective utilization of commercial cyclotrons to tailor polymer surfaces without compromising surface texture and mechanical integrity.
Shear Rate Coat-Hanger Die Using Casson Viscosity Model
Authors: Igali Dastan , Perveen Asma , Zhang Dichuan , Wei Dongming
Published: November 2020

Coat-hanger die design aims for optimization of the die geometry of the body and the flow distribution manifold, such that through the exit at the die lip homogeneous distribution of the polymer melt is achieved. This paper proposes a novel methodology for deriving the design equations of the coat-hanger die geometry for some specific extrusion materials and provides fluid–solid interaction simulations for validations. The basis for the calculations is the Casson rheological model, analytic velocity profiles for the pseudoplastic flow through circular pipe and slit, and the constant shear rate coat-hanger die design methodology developed by Winter and Fritz. The geometry obtained was then evaluated using the fluid-structure interaction numerical simulation approach. The sensitivity of the outlet velocity uniformity and die body deformation due to the material and mass flow rate change were investigated using the finite element software, Ansys. It was found that the homogeneity of the outlet velocity is very sensitive to the extrusion materials. The structural analysis of the solid die body also resulted in higher deformations when using some other extrusion materials different from the initial design. Mass flow rate increase only resulted in large zones of stagnation, which occurred around the melt as it passes from the manifold to the slit region. Therefore, it is recommended to define the required range of mass flow rate to prevent the formation of stagnation zones.
Design and Construction of pH-Selective Self-Lytic Liposome System
Authors: Kashiwada Ayumi , Namiki Kana , Mori Haruka
Published: November 2020

Liposomes are well-investigated drug or gene delivery vehicles for chemotherapy, used by taking advantage of their biocompatibility and biodegradability. A central question on the construction of intracellular liposomal delivery systems is to entrap the liposomes of interest in the highly acidic and proteolytic endosomal environment. In the other words, it is essential that the liposomes release a therapeutic drug into the cytosol before they are degraded in the endosome. As a strategy to enhance the endosome escape, the self-lytic liposomes with acidic pH-selective membrane active polypeptide are considered highly effective. Here, an acidic pH-selective membrane-lytic polypeptide (LPE) and its retro isomer (rLPE) were designed, and then their membrane-lytic activities against EggPC liposomes were determined. It was noticed that the rLPE polypeptide showed an increase in activity compared with the LPE polypeptide. Furthermore, the rLPE polypeptide was conjugated to liposomes via a flexible Gly-Gly-Gly-Gly linker to facilitate the pH-selective content release. The rLPE anchoring liposomes exhibited distinctly different contents release behavior at physiological and endosomal pHs, namely typical contents release from liposomes was positively observed at acidic pH range. The overarching goal of this paper is to develop efficient pH-selective therapeutic delivery systems by using our findings.