ResearchPad - materials-science https://www.researchpad.co Default RSS Feed en-us © 2020 Newgen KnowledgeWorks <![CDATA[Insight into the protein solubility driving forces with neural attention]]> https://www.researchpad.co/article/elastic_article_13832 The solubility of proteins is a crucial biophysical aspect when it comes to understanding many human diseases and to improve the industrial processes for protein production. Due to its relevance, computational methods have been devised in order to study and possibly optimize the solubility of proteins. In this work we apply a deep-learning technique, called neural attention to predict protein solubility while “opening” the model itself to interpretability, even though Machine Learning models are usually considered black boxes. Thank to the attention mechanism, we show that i) our model implicitly learns complex patterns related to emergent, protein folding-related, aspects such as to recognize β-amyloidosis regions and that ii) the N-and C-termini are the regions with the highes signal fro solubility prediction. When it comes to enhancing the solubility of proteins, we, for the first time, propose to investigate the synergistic effects of tandem mutations instead of “single” mutations, suggesting that this could minimize the number of required proposed mutations.

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<![CDATA[Mechanical characterization of PVA hydrogels’ rate-dependent response using multi-axial loading]]> https://www.researchpad.co/article/elastic_article_13820 The time-dependent properties of rubber-like synthesized and biological materials are crucial for their applications. Currently, this behavior is mainly measured using axial tensile test, compression test, or indentation. Limited studies performed on using multi-axial loading measurements of time-dependent material behavior exist in the literature. Therefore, the aim of this study is to investigate the viscoelastic response of rubber-like materials under multi-axial loading using cavity expansion and relaxation tests. The tests were performed on PVA hydrogel specimens. Three hyperelasitc models and one term Prony series were used to characterize the viscoelastic response of the hydrogels. Finite element (FE) simulations were performed to verify the validity of the calibrated material coefficients by reproducing the experimental results. The excellent agreement between the experimental, analytical and numerical data proves the capability of the cavity expansion technique to measure the time-dependent behavior of viscoelastic materials.

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<![CDATA[Instigation of indigenous thermophilic bacterial consortia for enhanced oil recovery from high temperature oil reservoirs]]> https://www.researchpad.co/article/elastic_article_13812 The purpose of the study involves the development of an anaerobic, thermophilic microbial consortium TERIK from the high temperature reservoir of Gujarat for enhance oil recovery. To isolate indigenous microbial consortia, anaerobic baltch media were prepared and inoculated with the formation water; incubated at 65°C for 10 days. Further, the microbial metabolites were analyzed by gas chromatography, FTIR and surface tension. The efficiency of isolated consortia towards enhancing oil recovery was analyzed through core flood assay. The novelty of studied consortia was that, it produces biomass (600 mg/l), bio-surfactant (325 mg/l), and volatile fatty acids (250 mg/l) at 65°C in the span of 10 days, that are adequate to alter the surface tension (70 to 34 mNm -1) and sweep efficiency of zones facilitating the displacement of oil. TERIK was identified as Clostridium sp. The FTIR spectra of biosurfactant indicate the presence of N-H stretch, amides and polysaccharide. A core flooding assay was designed to explore the potential of TERIK towards enhancing oil recovery. The results showed an effective reduction in permeability at residual oil saturation from 2.14 ± 0.1 to 1.39 ± 0.05 mD and 19% incremental oil recovery.

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<![CDATA[Examination of the ocean as a source for atmospheric microplastics]]> https://www.researchpad.co/article/elastic_article_13804 Global plastic litter pollution has been increasing alongside demand since plastic products gained commercial popularity in the 1930’s. Current plastic pollutant research has generally assumed that once plastics enter the ocean they are there to stay, retained permanently within the ocean currents, biota or sediment until eventual deposition on the sea floor or become washed up onto the beach. In contrast to this, we suggest it appears that some plastic particles could be leaving the sea and entering the atmosphere along with sea salt, bacteria, virus’ and algae. This occurs via the process of bubble burst ejection and wave action, for example from strong wind or sea state turbulence. In this manuscript we review evidence from the existing literature which is relevant to this theory and follow this with a pilot study which analyses microplastics (MP) in sea spray. Here we show first evidence of MP particles, analysed by μRaman, in marine boundary layer air samples on the French Atlantic coast during both onshore (average of 2.9MP/m3) and offshore (average of 9.6MP/m3) winds. Notably, during sampling, the convergence of sea breeze meant our samples were dominated by sea spray, increasing our capacity to sample MPs if they were released from the sea. Our results indicate a potential for MPs to be released from the marine environment into the atmosphere by sea-spray giving a globally extrapolated figure of 136000 ton/yr blowing on shore.

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<![CDATA[Extending thermotolerance to tomato seedlings by inoculation with SA1 isolate of <i>Bacillus cereus</i> and comparison with exogenous humic acid application]]> https://www.researchpad.co/article/elastic_article_11229 Heat stress is one of the major abiotic stresses that impair plant growth and crop productivity. Plant growth-promoting endophytic bacteria (PGPEB) and humic acid (HA) are used as bio-stimulants and ecofriendly approaches to improve agriculture crop production and counteract the negative effects of heat stress. Current study aimed to analyze the effect of thermotolerant SA1 an isolate of Bacillus cereus and HA on tomato seedlings. The results showed that combine application of SA1+HA significantly improved the biomass and chlorophyll fluorescence of tomato plants under normal and heat stress conditions. Heat stress increased abscisic acid (ABA) and reduced salicylic acid (SA) content; however, combined application of SA1+HA markedly reduced ABA and increased SA. Antioxidant enzymes activities revealed that SA1 and HA treated plants exhibited increased levels of ascorbate peroxidase (APX), superoxide dismutase (SOD), and reduced glutathione (GSH). In addition, heat stress markedly reduced the amino acid contents; however, the amino acids were increased with co-application of SA1+HA. Similarly, inductively-coupled plasma mass-spectrometry results showed that plants treated with SA1+HA exhibited significantly higher iron (Fe+), phosphorus (P), and potassium (K+) uptake during heat stress. Heat stress increased the relative expression of SlWRKY33b and autophagy-related (SlATG5) genes, whereas co-application of SA1+HA augmented the heat stress response and reduced SlWRKY33b and SlATG5 expression. The heat stress-responsive transcription factor (SlHsfA1a) and high-affinity potassium transporter (SlHKT1) were upregulated in SA1+HA-treated plants. In conclusion, current findings suggest that co-application with SA1+HA can be used for the mitigation of heat stress damage in tomato plants and can be commercialized as a biofertilizer.

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<![CDATA[Nutritional and physicochemical characteristics of purple sweet corn juice before and after boiling]]> https://www.researchpad.co/article/elastic_article_7720 Sweet corn juice is becoming increasingly popular in China. In order to provide valuable health-related information to consumers, the nutritional and physicochemical characteristics of raw and boiled purple sweet corn juices were herein investigated. Sugars, antinutrients, total free phenols, anthocyanins, and antioxidant activity were analyzed by conventional chemical methods. The viscosity and stability of juices were determined by Ubbelohde viscosity meter and centrifugation, respectively. Boiling process could elevate viscosity, stability and sugar content, and reduce antinutrients, total free phenols, anthocyanins, and antioxidant activity in corn juice. In addition, short time boiling efficiently reduced the degradation of anthocyanins during subsequent refrigeration. The content of amino acids, vitamin B1/B2 and E were detected by High Performance Liquid Chromatography. Gas Chromatography Mass Spectrometry was used for the analysis of fatty acids and aroma compounds. Several aroma compounds not previously reported in corn were identified, including 1-heptanol, 2-methyl-2-butenal, (Z)-3-nonen-1-ol, 3-ethyl-2-methyl-1,3-hexadiene, and 2,4-bis(1,1-dimethylethyl)phenol. Interestingly, the boiling process had no apparent effect on the amino acids profile, but it caused a 45.8% loss of fatty acids in the juice by promoting the retention of fatty acids in the corn residue. These results provide detailed information that could be used for increasing consumers’ knowledge of sweet corn juice, further development of sweet corn juice by food producers, and maize breeding programs.

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<![CDATA[Multipurpose chemical liquid sensing applications by microwave approach]]> https://www.researchpad.co/article/elastic_article_7700 In this work, a novel sensor based on printed circuit board (PCB) microstrip rectangular patch antenna is proposed to detect different ratios of ethanol alcohol in wines and isopropyl alcohol in disinfectants. The proposed sensor was designed by finite integration technique (FIT) based high-frequency electromagnetic solver (CST) and was fabricated by Proto Mat E33 machine. To implement the numerical investigations, dielectric properties of the samples were first measured by a dielectric probe kit then uploaded into the simulation program. Results showed a linear shifting in the resonant frequency of the sensor when the dielectric constant of the samples were changed due to different concentrations of ethanol alcohol and isopropyl alcohol. A good agreement was observed between the calculated and measured results, emphasizing the usability of dielectric behavior as an input sensing agent. It was concluded that the proposed sensor is viable for multipurpose chemical sensing applications.

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<![CDATA[Is postural dysfunction related to sarcopenia? A population-based study]]> https://www.researchpad.co/article/elastic_article_7695 Postural dysfunction is one of the most common community health symptoms and frequent chief complaints in hospitals. Sarcopenia is a syndrome characterized by degenerative loss of skeletal muscle mass, muscle quality, and muscle strength, and is the main contributor to musculoskeletal impairment in the elderly. Previous studies reported that loss of muscle mass is associated with a loss of diverse functional abilities. Meanwhile, there have been limited studies concerning postural dysfunction among older adults with sarcopenia. Although sarcopenia is primarily a disease of the elderly, its development may be associated with conditions that are not exclusively seen in older persons. Also, recent studies recognize that sarcopenia may begin to develop earlier in life. The objective of this paper was to investigate the association between the prevalence of sarcopenia and postural dysfunction in a wide age range of adults using data from a nationally representative cohort study in Korea. Korean National Health & Nutrition Exhibition Survey V (KNHANES V, 2010–2012) data from the fifth cross-sectional survey of the South Korean population performed by the Korean Ministry of Health and Welfare were used. Appendicular skeletal muscle mass (ASM)/height (ht)2 was used to define sarcopenia, and the Modified Romberg test using a foam pad (“foam balance test”) was performed to evaluate postural dysfunction. ASM/ht2 was lower in women and significantly decreased with age in men. Subjects with sarcopenia were significantly more likely to fail the foam balance test, regardless of sex and age. Regression analysis showed a significant relationship between sarcopenia and postural dysfunction (OR: 2.544, 95% CI: 1.683–3.846, p<0.001). Multivariate regression analysis revealed that sarcopenia (OR: 1.747, 95% CI: 1.120–2.720, p = 0.014) and age (OR: 1.131, 95% CI: 1.105–1.158, p<0.001) are independent risk factors for postural instability. In middle age subjects, the adjusted OR for sarcopenia was 3.344 (95% CI: 1.350–8.285) (p = 0.009). The prevalence of postural dysfunction is higher in sarcopenia patients, independent of sex and age.

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<![CDATA[Effect of experimental, morphological and mechanical factors on the murine spinal cord subjected to transverse contusion: A finite element study]]> https://www.researchpad.co/article/elastic_article_8463 Finite element models combined with animal experimental models of spinal cord injury provides the opportunity for investigating the effects of the injury mechanism on the neural tissue deformation and the resulting tissue damage. Thus, we developed a finite element model of the mouse cervical spinal cord in order to investigate the effect of morphological, experimental and mechanical factors on the spinal cord mechanical behavior subjected to transverse contusion. The overall mechanical behavior of the model was validated with experimental data of unilateral cervical contusion in mice. The effects of the spinal cord material properties, diameter and curvature, and of the impactor position and inclination on the strain distribution were investigated in 8 spinal cord anatomical regions of interest for 98 configurations of the model. Pareto analysis revealed that the material properties had a significant effect (p<0.01) for all regions of interest of the spinal cord and was the most influential factor for 7 out of 8 regions. This highlighted the need for comprehensive mechanical characterization of the gray and white matter in order to develop effective models capable of predicting tissue deformation during spinal cord injuries.

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<![CDATA[Imaging dataset of fresh hydrous plants obtained by field-emission scanning electron microscopy conducted using a protective NanoSuit]]> https://www.researchpad.co/article/elastic_article_7644 Although scanning electron microscopy (SEM) can generate high-resolution images of nanosized objects, it requires a high vacuum to do so, which precludes direct observations of living organisms and often produces unwanted structural changes. It has previously been reported that a simple surface modification gives rise to a nanoscale layer, termed the “NanoSuit”, which can keep small animals alive under the high vacuum required for field-emission scanning electron microscopy (FE-SEM). We have previously applied this technique to plants, and successfully observed healthy petals in a fully hydrated state using SEM. The flower petals protected with the NanoSuit appeared intact, although we still lack a fundamental understanding of the images of other plants observed using FE-SEM. This report presents and evaluates a rich set of images, acquired using the NanoSuit, for a taxonomically diverse set of plant species. This dataset of images allows the surface features of various plants to be analyzed and thus provides a further complementary morphological profile. Image data can be accessed and viewed through Figshare (https://doi.org/10.6084/m9.figshare.c.4446026.v1).

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<![CDATA[Vanadium spin qubits as telecom quantum emitters in silicon carbide]]> https://www.researchpad.co/article/elastic_article_7715 Solid-state quantum emitters with spin registers are promising platforms for quantum communication, yet few emit in the narrow telecom band necessary for low-loss fiber networks. Here, we create and isolate near-surface single vanadium dopants in silicon carbide (SiC) with stable and narrow emission in the O band, with brightness allowing cavity-free detection in a wafer-scale material. In vanadium ensembles, we characterize the complex d1 orbital physics in all five available sites in 4H-SiC and 6H-SiC. The optical transitions are sensitive to mass shifts from local silicon and carbon isotopes, enabling optically resolved nuclear spin registers. Optically detected magnetic resonance in the ground and excited orbital states reveals a variety of hyperfine interactions with the vanadium nuclear spin and clock transitions for quantum memories. Last, we demonstrate coherent quantum control of the spin state. These results provide a path for telecom emitters in the solid state for quantum applications.

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<![CDATA[Dataset of operating conditions to Isolate Cellulose Nanocrystalline from Sugarcane Bagasse and Pinewood Sawdust as Possible Material to Fabricate Polymer Electrolyte Membranes]]> https://www.researchpad.co/article/Nc61645b2-f524-4246-a4f5-854e92567201 The data shown in this document provides all the experimental data that complement the article published in Carbohydrate Polymers entitled “Influence of operating conditions on Proton Conductivity of Nanocellulose films using two Agroindustrial Wastes: Sugarcane Bagasse and Pinewood Sawdust” [1]. The data of this paper are the result of a large series of experiments to optimize the extraction of cellulose nanocrystalline (CNC) from these two agro-industrial wastes: sugarcane Bagasse (SCB) and pinewood sawdust (PSW). The conditions of pretreatment (5 wt.% or 10 wt.% of NaOH) and hydrolysis temperature (60, 75 and 90°C) in an aqueous solution of 45 wt.% of H2SO4 were analyzed exhaustively. The data includes the characterization by Fourier transform infrared (FT-IR), Differential Scanning Calorimetry/Thermogravimetric Analysis (DSC/TGA), Dynamic Light Scattering (DLS), X-ray diffraction (XRD) patterns, Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM) micrographs with their corresponding SAED patterns and nanoindentation tests. Additionally, photographs during the isolation of cellulose nanocrystalline in dependence of the syntheses parameters. It is also included the data that complement the molecular dynamic simulation generated by GLYCAM carbohydrate builder based on the coordinates for alpha and beta cellulose considering a microfibril of 5, 10 and 20 glucosyl residues (degree of polymerization, DP). Overall data have not been previously published and are available contributing to a better understanding of the CNCs isolation through different pretreatment concentrations and temperatures of processing.

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<![CDATA[Experimental Data on design, theoretical and correlation of the electronic and optical properties of diethynylphenylthiophene as photovoltaic materials]]> https://www.researchpad.co/article/Nf6928990-f385-47f5-a834-6d5f812cbc13 The article show the date associated with the work previously reported “Design, theoretical and correlation of the electronic and optical properties of diethynylphenylthiophene as photovoltaic materials”, https://doi.org/10.1016/j.molstruc.2019.127093[1]. The authors reported graphics and tables building from of p-PDT, m-PDT, o-PDT, p-ZnPDT, m -ZnPDT and o-ZnPDT calculations as raw date, with the aim of to show electronic and optical properties, which can be analyzed by the reader. In this context, there exists an important number of renewable energies that are substituting the oil and the charcoal be used in the energetic supply. One of these alternatives is the use of solar cells, which can be use in diverse areas like telecommunications, remote systems of monitoring, lighting systems, water treatment systems, and products of consumption. The employment of the organic photovoltaic technology and photosensitized organic materials are based on the use of molecular organic materials for coverings for ceiling and windows of a house that allow the storage of energy. The OPVs and DSSC present π conjugated systems, giving them a high electronic relocated density, which allows catching the radiations with an energy range of wavelengths between 400 and 800 nm. The systems are derived of diethynylphenylthiophene (LMWOM) coupled to phenyldiamine (PD) as spacer, forming hyper conjugated macrocycles (p-PDT, m-PDT, o-PDT, p-ZnPDT, m -ZnPDT and o-ZnPDT). On the other hand, it is reported process electronic relationship with material sensitized and the bibliographic support of the publication topic.

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<![CDATA[Data on the theoretical X-Ray attenuation and transmissions for lithium-ion battery cathodes]]> https://www.researchpad.co/article/Nb960c802-1a68-4061-a790-4d9adf70ce7e This article reports the data required for planning attenuation-based X-ray characterisation e.g. X-ray computed tomography (CT), of lithium-ion (Li-ion) battery cathodes. The data reported here is to accompany a co-submitted manuscript (10.1016/j.matdes.2020.108585 [1]) which compares two well-known X-ray attenuation data sources: Henke et al. and Hubbell et al., and applies methodology reported by Reiter et al. to extend this data towards the practical characterisation of prominent cathode materials. This data may be used to extend beyond the analysis reported in the accompanying manuscript, and may aid in the applications for other materials, not limited to Li-ion batteries.

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<![CDATA[Bioenergetic-active materials enhance tissue regeneration by modulating cellular metabolic state]]> https://www.researchpad.co/article/Nf339299e-3ebd-42ea-b2c8-863f8ed912ab

We report a biodegradable synthetic material that opens a door to repair damaged tissue via boosting cellular energy metabolism.

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<![CDATA[Breath figure–derived porous semiconducting films for organic electronics]]> https://www.researchpad.co/article/N1215294b-77dc-45ec-8b56-9c4075319f1b

We show here that breath figure–derived semiconducting films are suitable and universal for porous organic electronics.

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<![CDATA[Database on the nonlinear optical properties of graphene based materials]]> https://www.researchpad.co/article/Nf7b416fa-9480-4aad-9138-01c46c808b5a

The knowledge of optical nonlinearity is pre-requisite for the utility of the nonlinear optical (NLO) materials for optoelectronic device fabrication. Z-scan experimental technique based on the principles of spatial beam distortion, has been successfully employed for years to precisely investigate the NLO parameters. In the field of optical nonlinearity, graphene has proven itself as a strong candidate material owing to the possibility of strong light-matter interactions. A detailed comparison of the NLO properties of graphene and its derivatives (G/GDs) is crucial to identify and accelerate their utility for future flexible optoelectronic device applications. Herein, we share the experimental records of the optical nonlinearity in G/GDs, obtained from the well established Z-scan technique from the available literature, reported in the period from 2009 to 2019 and were extracted from the provided raw data [1]. The data sheet includes material composition, characteristics of the excitation laser source (operating wavelength, laser energy/power/intensity) and the NLO parameters (nonlinear absorption (NLA), nonlinear refraction (NLR), saturation intensity, optical limiting threshold). For practical use, they are tabulated in the present paper and will enable users to search the material data and filter down the set of desired materials using given parameters for their possible optoelectronic device applications. The data is related to the research article entitled “Unraveling absorptive and refractive optical nonlinearities in CVD grown graphene layers transferred onto a foreign quartz substrate” (Agrawal et al., 2019) [2].

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<![CDATA[Surface-state Coulomb repulsion accelerates a metal-insulator transition in topological semimetal nanofilms]]> https://www.researchpad.co/article/N0a4ade9e-7b60-44fc-88b4-e5bfe548c8eb

Increased Coulomb repulsion from surface states substantially modulates quantum confinement in topological semimetal nanofilms.

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<![CDATA[Reconfigurable structure and tunable transport in synchronized active spinner materials]]> https://www.researchpad.co/article/N818d3c71-fa29-4e20-a0dc-6491b39c4af3

Synchronized active spinners spontaneously form dynamic lattices with reconfigurable order and tunable transport characteristics.

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<![CDATA[Single-asperity sliding friction across the superconducting phase transition]]> https://www.researchpad.co/article/N2caeb7a4-515c-4e9a-b4a8-70ff61cc8366

Nanoscale friction experiments on high-Tc superconductors link energy dissipation during sliding to the electron system.

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