cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.12210584
title: Design of a polymeric composite material femoral stem for hip joint implant

description: Abstract Hip joint prosthesis are structural components that still have some challenging problems such as the interaction of physical and biological properties between the stem and the human femur. Composite materials allow to obtain high strength structures with a large variety of modulus of elasticity and favorable characteristics in the context of orthopedic implants. Therefore, the objective of this work was the development of a prosthesis model with biopolymeric matrix, namely the polyurethane (PU) derived from castor oil, reinforced with fiberglass. The implants were made of pure PU, PU with fiberglass, and PU with glass fiber and calcium carbonate. The reinforcement was constructed in the form of a core to be inserted into the hip prosthesis. The core and stem prototypes were produced using three-dimensional printing techniques, and subsequently used in the manufacture of flexible silicone molds. The results showed good mechanical potentialities of this material for orthopedics applications.
DOI: 10.6084/m9.figshare.12210749.v1
title: Mechanical characterization of HDPE reinforced with cellulose from rice husk biomass

description: Abstract High-density polyethylene (HDPE) reinforced with cellulose from rice husk (RH) were prepared and studied. The RH biomass was submitted to acid extraction and bleaching process and then analyzed for its cellulose extraction efficiency by X-ray diffraction (XRD) and Fourier transformation infrared spectroscopy (FTIR). After that, the RH cellulose (RHC) was incorpored to the HDPE matrix by melt blending with different filler contents (5, 10 and 15 wt%), and then characterized in terms of mechanical properties and morphology. The RHC incorporation in the HDPE matrix resulted in an increase in elastic modulus regardless the filler content added; also, the impact resistance was maintained for RHC contents up to 10%. The morphological analysis of the composites showed that the cellulose was well dispersed in the matrix, which contributed to the improvement of the final rigidity of these materials, indicating the feasibility of incorporating this residue in the production of HDPE composites.
DOI: 10.6084/m9.figshare.12210752
title: Positron annihilation spectroscopy of chain-end-functionalized polystyrenes with definite numbers of benzyl alcohol and perfluorooctyl groups

description: Abstract A series of well-defined chain-end-functionalized polystyrenes with a definite number of benzyl alcohol and perfluorooctyl groups [PS(BnOH)n & PS(BnORf)n, respectively] linearly aligned in a double line at the chain-ends were prepared and investigated using XRD, SEM, PALS and DBAR spectroscopy. XRD studies showed that PS(BnOH)n are crystalline and the degree of crystallinity increases with increasing the number of benzyl alcohol functionalities, while XRD pattern of PS(BnORf)n revealed that incorporating perfluorooctyl groups resulting in some fractions of polystyrene chains that were intercalated or broken between the interlayer spacing. PALS measurements yielded three lifetime components and the formation probabilities as well as lifetime of ortho-positronium in polymer series were found to be dependent on the chain-end polymer structure. DBAR measurements suggested that only one type of defect is present in the polymer samples.
DOI: 10.6084/m9.figshare.12210752.v1
title: Positron annihilation spectroscopy of chain-end-functionalized polystyrenes with definite numbers of benzyl alcohol and perfluorooctyl groups

description: Abstract A series of well-defined chain-end-functionalized polystyrenes with a definite number of benzyl alcohol and perfluorooctyl groups [PS(BnOH)n & PS(BnORf)n, respectively] linearly aligned in a double line at the chain-ends were prepared and investigated using XRD, SEM, PALS and DBAR spectroscopy. XRD studies showed that PS(BnOH)n are crystalline and the degree of crystallinity increases with increasing the number of benzyl alcohol functionalities, while XRD pattern of PS(BnORf)n revealed that incorporating perfluorooctyl groups resulting in some fractions of polystyrene chains that were intercalated or broken between the interlayer spacing. PALS measurements yielded three lifetime components and the formation probabilities as well as lifetime of ortho-positronium in polymer series were found to be dependent on the chain-end polymer structure. DBAR measurements suggested that only one type of defect is present in the polymer samples.
DOI: 10.6084/m9.figshare.14282900
title: Electrical and spectroelectrochemical investigation of thiophene-based donor-acceptor copolymers with 3,4-ethylenedioxythiophene

description: Abstract This work reports the spectroelectrochemical and electrical behavior of electropolymerized donor-acceptor like (D-A) copolymer films, based on 3,4-ethylenedioxythiophene (EDOT) and beta-substituted electron-acceptor thiophenes. Initially, the copolymer films were deposited on indium tin oxide substrates, which spectroelectrochemistry measurements were carried out with an UV-Vis spectrophotometer. Hence, it was possible to observe the electrochromic properties of these materials, visualizing the color changing towards different potentials applied. The experiments have shown that these D-A like copolymers presented good electrochromic properties, such as optical contrast, coloration efficiency, and switching times. Additionally, films prepared on a platinum working electrode were investigated by electrochemical impedance spectroscopy, which has shown the electrical behavior of those copolymers and their potential as candidates to capacitive devices building. Therefore, the combination of electron-donor EDOT with those electron-acceptor monomers is indeed a useful strategy to tailoring and fine-tuning the physicochemical properties of polythiophenes with innovative applications.
DOI: 10.6084/m9.figshare.12210725
title: Acoustic approach of weldability for nanocomposite (nanosilica/PA6) welded by ultrasonic welding

description: Abstract Polymer matrix nanocomposites (NMP) have attracted a great interest mainly in the automotive, aerospace and medical industries since they have good mechanical properties, dimensional, thermal and chemical stability, as well as interesting electrical conductivity and cost reduction in the manufacturing process. However, welding of this class of materials presents serious challenges such as improving weldability of the joint and understanding the mechanisms responsible for coalescence. The objective of this work was to evaluate the coalescence of an NMP joint (comprising a PA6 matrix and with nanosilica of different percentages of silicon) using ultrasonic welding, as well as to perform an acoustic approach of the energy dissipation during the welding process. It is concluded that the NMP samples tend to show better coalescence as the percentage of nanosilica increases, up to a certain limit. On the other hand, the higher the content of nanoparticle the smaller the energy absorption.
DOI: 10.6084/m9.figshare.14282900.v1
title: Electrical and spectroelectrochemical investigation of thiophene-based donor-acceptor copolymers with 3,4-ethylenedioxythiophene

description: Abstract This work reports the spectroelectrochemical and electrical behavior of electropolymerized donor-acceptor like (D-A) copolymer films, based on 3,4-ethylenedioxythiophene (EDOT) and beta-substituted electron-acceptor thiophenes. Initially, the copolymer films were deposited on indium tin oxide substrates, which spectroelectrochemistry measurements were carried out with an UV-Vis spectrophotometer. Hence, it was possible to observe the electrochromic properties of these materials, visualizing the color changing towards different potentials applied. The experiments have shown that these D-A like copolymers presented good electrochromic properties, such as optical contrast, coloration efficiency, and switching times. Additionally, films prepared on a platinum working electrode were investigated by electrochemical impedance spectroscopy, which has shown the electrical behavior of those copolymers and their potential as candidates to capacitive devices building. Therefore, the combination of electron-donor EDOT with those electron-acceptor monomers is indeed a useful strategy to tailoring and fine-tuning the physicochemical properties of polythiophenes with innovative applications.
DOI: 10.6084/m9.figshare.12210728
title: Effect of nanoclay addition and chemical treatment on static and dynamic mechanical analysis of jute fibre composites

description: Abstract In this article, the influence of alkali treatment and addition of montmorillonite nanoclay as filler on mechanical and visco-elastic behaviour of jute fibre polymer composite were investigated. The composites are fabricated using 5wt% of nanoclay, untreated and chemically treated jute fibre of various percentage by handlayup method. The static mechanical properties like tensile, flexural, impact and inter laminar shear strength are studied as per respective ASTM standard. The dynamic mechanical analysis was carried out to evaluate storage modulus and damping factor of the prepared composite. The composition and structure of the functional groups of modified fibres were examined by Fourier transform infrared spectroscopy. The results showed that the interaction of filler addition and NaOH+KMnO4 treatment of fibres have significantly improved the tensile, flexural and impact properties to 47.12, 201.13, 172.61MPa respectively. Dynamic mechanical analysis results revealed that the incorporation of filler increases the storage modulus and glass transition temperature. The incorporation of 5wt% clay and 25wt% jute fiber increase the glass transition temperature of the composite material from 109 to 115 °C.
DOI: 10.6084/m9.figshare.12210728.v1
title: Effect of nanoclay addition and chemical treatment on static and dynamic mechanical analysis of jute fibre composites

description: Abstract In this article, the influence of alkali treatment and addition of montmorillonite nanoclay as filler on mechanical and visco-elastic behaviour of jute fibre polymer composite were investigated. The composites are fabricated using 5wt% of nanoclay, untreated and chemically treated jute fibre of various percentage by handlayup method. The static mechanical properties like tensile, flexural, impact and inter laminar shear strength are studied as per respective ASTM standard. The dynamic mechanical analysis was carried out to evaluate storage modulus and damping factor of the prepared composite. The composition and structure of the functional groups of modified fibres were examined by Fourier transform infrared spectroscopy. The results showed that the interaction of filler addition and NaOH+KMnO4 treatment of fibres have significantly improved the tensile, flexural and impact properties to 47.12, 201.13, 172.61MPa respectively. Dynamic mechanical analysis results revealed that the incorporation of filler increases the storage modulus and glass transition temperature. The incorporation of 5wt% clay and 25wt% jute fiber increase the glass transition temperature of the composite material from 109 to 115 °C.
DOI: 10.6084/m9.figshare.14282901
title: Nanofibers of gelatin and polivinyl-alcohol-chitosan for wound dressing application: fabrication and characterization

description: Abstract Electrospun nanofibers from gelatin (G), chitosan (CS), and chitosan-polyvinyl alcohol (CS-PVA) were developed by electrospinning process. Mechanical properties were determined by the tensile test, the elastic modulus values of the nanofibers were G (15.418-34.34 MPa) and CS-PVA (17.44-126.427 MPa). The morphological characterization by SEM revealed that the systems with 15% G and 6% CS-PVA showed morphological homogeneity. Structural characterization by FTIR indicated an interaction among some functional groups of the component. Thermal analysis by DSC and TGA showed degradation temperatures for G (330 °C), CS (210 °C to 370 °C), and PVA (310 °C to 420 °C). The contact angles values denoted the hydrophilic nature of the material. Finally, the antimicrobial assay proved that both 15% G and 7% PVA on the CS-PVA system presented the best antimicrobial effect. The results indicate that the electrospun nanofibers fabricated with G or CS-PVA can be used as wound healing dressings.
DOI: 10.6084/m9.figshare.14282901.v1
title: Nanofibers of gelatin and polivinyl-alcohol-chitosan for wound dressing application: fabrication and characterization

description: Abstract Electrospun nanofibers from gelatin (G), chitosan (CS), and chitosan-polyvinyl alcohol (CS-PVA) were developed by electrospinning process. Mechanical properties were determined by the tensile test, the elastic modulus values of the nanofibers were G (15.418-34.34 MPa) and CS-PVA (17.44-126.427 MPa). The morphological characterization by SEM revealed that the systems with 15% G and 6% CS-PVA showed morphological homogeneity. Structural characterization by FTIR indicated an interaction among some functional groups of the component. Thermal analysis by DSC and TGA showed degradation temperatures for G (330 °C), CS (210 °C to 370 °C), and PVA (310 °C to 420 °C). The contact angles values denoted the hydrophilic nature of the material. Finally, the antimicrobial assay proved that both 15% G and 7% PVA on the CS-PVA system presented the best antimicrobial effect. The results indicate that the electrospun nanofibers fabricated with G or CS-PVA can be used as wound healing dressings.
DOI: 10.6084/m9.figshare.14282906
title: Preparation and analysis of melamine and melamine-silica as clarifying agents of waste lubricating oil

description: Abstract Melamine is a key compound used as a clarifying agent for waste lubricating oil primarily due to its excellent adsorbent properties. Moreover, considerable interest exists for the further modification of melamine in order to provide a remediation agent with improved clarification capacity. In this study, hexamethylolmelamine was prepared using a solution of formaldehyde, which provided an agent capable of incorporation into a silicate polymer framework. Subsequently, the resultant monomer was added to a solution of silicate to produce the melamine-silica polymer. The melamine and melamine-silica polymer were characterized using the techniques of XRD, FTIR, SSA and thermal analysis to confirm structural and morphological characteristics. These characterizations indicated that the increase in the surface area of the 0.315 m2/g to melamine to 26.71 m2/g of melamine-silica suggests the effective introduction of silanols groups to hexamethylolmelamine and, therefore, corresponds to thehigh performance in relation to melamine as clarifying of waste lubricant oil.
DOI: 10.6084/m9.figshare.14269539
title: Physicochemical and drug release properties of microcrystalline cellulose derived from Musa balbisiana

description: Abstract Microcrystalline cellulose synthesized from the waste of Musa balbisiana (BMCC) was characterized to explore the possibility of application in the pharmaceutical industry especially as a drug delivery vehicle. The SEM, XRD and FTIR investigations revealed that the predominantly short, non-aggregated and irregular MCC rods were highly crystalline. The moisture sorption value for BMCC was 5.65%, while total ash was 0.39%. Flow of BMCC was poor, but the product exhibited high hydration (11.7%) and swelling (277.0%) capacities. Preliminary investigation of BMCC tablets containing ascorbic acid carried out in simulated intestinal fluid, showed a concentration dependent retardation of drug release. No cytotoxicity of BMCC was observed in the hemolytic assay. Overall, the study revealed that BMCC can be prepared from an inexpensive and abundant agricultural waste and possesses properties advantageous for application in the pharmaceutical industry and may be explored further in drug delivery research.
DOI: 10.6084/m9.figshare.14282903
title: Heat transfer simulation for decision making in plastic injection mold design

description: Abstract The solidification of a thermoplastic during the injection process directly influences the productivity and quality of the final product. This paper presents a study of the solidification performance of parts produced by a thermoplastic injection process, verifying their dimensional, visual, and production behavior according to the variation of geometry, temperature, and design of the injection mold cooling system. SolidWorks Plastics® software was used to perform the simulations. Experiments were performed with a plastic injection mold to confront and validate the simulations. Given the comparison of different cooling geometries, the simulations made it possible to obtain parts with a shorter mold cooling cycle time. Payback analysis has the primary objective of determining which cooling system is the most viable and has the highest return on invested capital. The results demonstrated a solution for engineers and designers to justify maintenance or modifications to existing injection molds through numerical simulation.
DOI: 10.6084/m9.figshare.14282906.v1
title: Preparation and analysis of melamine and melamine-silica as clarifying agents of waste lubricating oil

description: Abstract Melamine is a key compound used as a clarifying agent for waste lubricating oil primarily due to its excellent adsorbent properties. Moreover, considerable interest exists for the further modification of melamine in order to provide a remediation agent with improved clarification capacity. In this study, hexamethylolmelamine was prepared using a solution of formaldehyde, which provided an agent capable of incorporation into a silicate polymer framework. Subsequently, the resultant monomer was added to a solution of silicate to produce the melamine-silica polymer. The melamine and melamine-silica polymer were characterized using the techniques of XRD, FTIR, SSA and thermal analysis to confirm structural and morphological characteristics. These characterizations indicated that the increase in the surface area of the 0.315 m2/g to melamine to 26.71 m2/g of melamine-silica suggests the effective introduction of silanols groups to hexamethylolmelamine and, therefore, corresponds to thehigh performance in relation to melamine as clarifying of waste lubricant oil.
DOI: 10.6084/m9.figshare.14269539.v1
title: Physicochemical and drug release properties of microcrystalline cellulose derived from Musa balbisiana

description: Abstract Microcrystalline cellulose synthesized from the waste of Musa balbisiana (BMCC) was characterized to explore the possibility of application in the pharmaceutical industry especially as a drug delivery vehicle. The SEM, XRD and FTIR investigations revealed that the predominantly short, non-aggregated and irregular MCC rods were highly crystalline. The moisture sorption value for BMCC was 5.65%, while total ash was 0.39%. Flow of BMCC was poor, but the product exhibited high hydration (11.7%) and swelling (277.0%) capacities. Preliminary investigation of BMCC tablets containing ascorbic acid carried out in simulated intestinal fluid, showed a concentration dependent retardation of drug release. No cytotoxicity of BMCC was observed in the hemolytic assay. Overall, the study revealed that BMCC can be prepared from an inexpensive and abundant agricultural waste and possesses properties advantageous for application in the pharmaceutical industry and may be explored further in drug delivery research.
DOI: 10.6084/m9.figshare.14282903.v1
title: Heat transfer simulation for decision making in plastic injection mold design

description: Abstract The solidification of a thermoplastic during the injection process directly influences the productivity and quality of the final product. This paper presents a study of the solidification performance of parts produced by a thermoplastic injection process, verifying their dimensional, visual, and production behavior according to the variation of geometry, temperature, and design of the injection mold cooling system. SolidWorks Plastics® software was used to perform the simulations. Experiments were performed with a plastic injection mold to confront and validate the simulations. Given the comparison of different cooling geometries, the simulations made it possible to obtain parts with a shorter mold cooling cycle time. Payback analysis has the primary objective of determining which cooling system is the most viable and has the highest return on invested capital. The results demonstrated a solution for engineers and designers to justify maintenance or modifications to existing injection molds through numerical simulation.
DOI: 10.6084/m9.figshare.14282910
title: Adsorption of terbium ion on Fc/dymethylacrylamide: application of Monte Carlo simulation

description: Abstract The crosslinking of the Fc fragment (IgG antibody) on a polymer matrix about of dimethylacrylamide (DMA), melamide group (MG) and n-acryloxy succinimide (NAS) was analyzed through Monte Carlo simulation at 277.15K and pH 7, in where Gibs free energy and the dipole moment indicated the spontaneity of the reaction through van der Waals interactions. In addition, the QSAR properties determinated that both the surface area and the volume allow to carry out the physical adsorption of the Fc fragment that was verified through the electronic distribution of the electrostatic potential maps (MESP) where the nucleophilic zones (blue color) and electrophilic (red color) were observed, while the partition coefficient (Log P) indicated the solubility of the process. Subsequently, the analysis of the adsorption of the terbium ion (Tb+3) at 277.15K and a pH 7 in Fc/polymeric matrix was carried out, observing that the Fc fragment presented a flat-on optimization geometry attributed to the Tb+3 that generates electronic repulsions, as well as van der Waals forces, hydrogen bonds derived from the Cys aminoacids formed a polar structure and that was corroborated by the Log P negative. Finally, the surface area and volume determined that Tb+3 adsorption showed an increase in surface area and volume with temperature.
DOI: 10.6084/m9.figshare.14282910.v1
title: Adsorption of terbium ion on Fc/dymethylacrylamide: application of Monte Carlo simulation

description: Abstract The crosslinking of the Fc fragment (IgG antibody) on a polymer matrix about of dimethylacrylamide (DMA), melamide group (MG) and n-acryloxy succinimide (NAS) was analyzed through Monte Carlo simulation at 277.15K and pH 7, in where Gibs free energy and the dipole moment indicated the spontaneity of the reaction through van der Waals interactions. In addition, the QSAR properties determinated that both the surface area and the volume allow to carry out the physical adsorption of the Fc fragment that was verified through the electronic distribution of the electrostatic potential maps (MESP) where the nucleophilic zones (blue color) and electrophilic (red color) were observed, while the partition coefficient (Log P) indicated the solubility of the process. Subsequently, the analysis of the adsorption of the terbium ion (Tb+3) at 277.15K and a pH 7 in Fc/polymeric matrix was carried out, observing that the Fc fragment presented a flat-on optimization geometry attributed to the Tb+3 that generates electronic repulsions, as well as van der Waals forces, hydrogen bonds derived from the Cys aminoacids formed a polar structure and that was corroborated by the Log P negative. Finally, the surface area and volume determined that Tb+3 adsorption showed an increase in surface area and volume with temperature.