| 1. |
- Ans, Muhammad, et al.
(author)
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Designing of non-fullerene 3D star-shaped acceptors for organic solar cells
- 2019
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In: Journal of Molecular Modeling. - : Springer. - 1610-2940 .- 0948-5023. ; 25:5
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Journal article (peer-reviewed)abstract
- The design and fabrication of solar cells have recently witnessed the exploration of non-fullerene-based acceptor molecules for higher efficiency. In this study, the optical and electronic properties of four new three-dimensional (3D) star-shaped acceptor molecules (M1, M2, M3, and M4) are evaluated for use as acceptor molecules in organic solar cells. These molecules contain a triphenylamine donor core with diketopyrrolopyrrole acceptor arms linked via a thiophene bridge unit. Molecules M1–M4 are characterized by different end-capped acceptor moieties, including 2-(5-methylene-6-oxo-5,6-dihydrocyclopenta-b-thiophen-4-ylidene)malononitrile (M1), 2-(2-methylene-3-oxo-2,3-dihydroinden-1-ylidene)malononitrile (M2), 2-(5-methyl-2-methylene-3-oxo-2,3-dihydroinden-1-ylidene)malononitrile (M3), and 3-methyl-5-methylnene-thioxothiazolidin-4-one (M4). The properties of the newly designed molecules were compared with a well-known reference compound R, which was recently reported as an excellent acceptor molecule for organic solar cells. Molecules M1–M4 exhibit suitable frontier molecular orbital patterns for charge mobility. M2 shows maximum absorption (λmax) at 846.8 nm in dichloromethane solvent, which is ideal for the design of transparent solar cells. A strong electron withdrawing end-capped acceptor causes a red shift in absorption spectra. All molecules are excellent for hole mobility due to a lower value of λh compared to the reference R.
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| 2. |
- Brownstein, Catherine A., et al.
(author)
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An international effort towards developing standards for best practices in analysis, interpretation and reporting of clinical genome sequencing results in the CLARITY Challenge
- 2014
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In: Genome Biology. - : Springer Science and Business Media LLC. - 1465-6906 .- 1474-760X. ; 15:3, s. R53-
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Journal article (peer-reviewed)abstract
- Background: There is tremendous potential for genome sequencing to improve clinical diagnosis and care once it becomes routinely accessible, but this will require formalizing research methods into clinical best practices in the areas of sequence data generation, analysis, interpretation and reporting. The CLARITY Challenge was designed to spur convergence in methods for diagnosing genetic disease starting from clinical case history and genome sequencing data. DNA samples were obtained from three families with heritable genetic disorders and genomic sequence data were donated by sequencing platform vendors. The challenge was to analyze and interpret these data with the goals of identifying disease-causing variants and reporting the findings in a clinically useful format. Participating contestant groups were solicited broadly, and an independent panel of judges evaluated their performance. Results: A total of 30 international groups were engaged. The entries reveal a general convergence of practices on most elements of the analysis and interpretation process. However, even given this commonality of approach, only two groups identified the consensus candidate variants in all disease cases, demonstrating a need for consistent fine-tuning of the generally accepted methods. There was greater diversity of the final clinical report content and in the patient consenting process, demonstrating that these areas require additional exploration and standardization. Conclusions: The CLARITY Challenge provides a comprehensive assessment of current practices for using genome sequencing to diagnose and report genetic diseases. There is remarkable convergence in bioinformatic techniques, but medical interpretation and reporting are areas that require further development by many groups.
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| 3. |
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| 4. |
- Idris, Alamin, et al.
(author)
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Oxygen Barrier Performance of Poly (Vinyl Alcohol) Coating Films with Different Induced Crystallinity and Model Predictions
- 2021
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In: Coatings. - : MDPI AG. - 2079-6412. ; 11, s. 1-12
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Journal article (peer-reviewed)abstract
- The presence of the crystalline regions in poly(vinyl alcohol) coating films acts as barrier clusters forcing the gas molecules to diffuse in a longer pathway in the amorphous region of the polymer, where diffusivity and solubility are promoted in comparison. Evaluating the influence of crystalline regions on the oxygen barrier property of a semi-crystalline polymer is thus essential to prepare better coating films. Poly(vinyl alcohol) coating films with varying induced crystallinity were prepared on a polyethylene terephthalate (PET) substrate by drying at different annealing temperatures for 10 min. The coating films were first delaminated from the PET substrate and then characterized using Fourier transform infrared (FTIR) spectroscopy, differential scanning calorimetry (DSC), and X-ray diffraction (XRD) techniques to determine and confirm the induced percentage of crystallinity. The barrier performance of the coating films, i.e., the oxygen transmission rate (OTR), was measured at room temperature. Results showed a decrease in the OTR values of poly(vinyl alcohol) film with an increase in the degree of crystallinity of the polymer matrix. Tortuosity-based models, i.e., modified Nielsen models, were adopted to predict the barrier property of the semi-crystalline PVOH film with uniform or randomly distributed crystallites. A modified Nielsen model for orderly distributed crystallites with an aspect ratio of 3.4 and for randomly distributed crystallites with an aspect ratio of 10.4 resulted in a good correlation with the experimental observation. For the randomly distributed crystallites, lower absolute average relative errors of 4.66, 4.45, and 5.79% were observed as compared to orderly distributed crystallites when the degree of crystallinity was obtained using FTIR, DSC, and XRD data, respectively.
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| 5. |
- Iftikhar, Bawar, et al.
(author)
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Experimental study on the eco-friendly plastic-sand paver blocks by utilising plastic waste and basalt fibers
- 2023
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In: Heliyon. - : Elsevier. - 2405-8440. ; 9:6
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Journal article (peer-reviewed)abstract
- Plastic waste poses a significant hazard to the environment as a result of its high production rates, which endanger both the environment and its inhabitants. Similarly, another concern is the production of cement, which accounts for roughly 8% of global CO2 emissions. Thus, recycling plastic waste as a replacement for cementitious materials may be a more effective strategy for waste minimisation and cement elimination. Therefore, in this study, plastic waste (low-density polyethylene) is utilised in the production of plastic sand paver blocks without the use of cement. In addition to this, basalt fibers which is a green industrial material is also added in the production of eco-friendly plastic sand paver blocks to satisfy the standard of ASTM C902-15 of 20 N/mm2 for the light traffic. In order to make the paver blocks, the LDPE waste plastic was melted outside in the open air and then combined with sand. Variations were made to the ratio of LDPE to sand, the proportion of basalt fibers, and sand particle size. Paver blocks were evaluated for their compressive strength, water absorption, and at different temperatures. Including 0.5% percent basalt fiber of length 4 mm gives us the best result by enhancing compressive strength by 20.5% and decreasing water absorption by 50.5%. The best results were obtained with a ratio of 30:70 LDPE to sand, while the finest sand provides the greatest compressive strength. Moreover, the temperature effect was also studied from 0 to 60 °C, and the basalt fibers incorporated in plastic paver blocks showed only a 20% decrease in compressive strength at 60 °C. This research has produced eco-friendly paver blocks by removing cement and replacing it with plastic waste, which will benefit the environment, save money, reduce carbon dioxide emissions, and be suitable for low-traffic areas, all of which contribute to sustainable development.
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| 6. |
- Javed, Asif, 1982-, et al.
(author)
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Crack analysis of barrier coatings based on starch and starch-PVOH with and without plasticizer
- 2018
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In: Nordic Pulp & Paper Research Journal. - : Walter de Gruyter GmbH. - 0283-2631 .- 2000-0669. ; 33:2, s. 336-347
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Journal article (peer-reviewed)abstract
- Barrier coatings based on starch and starch-PVOH plasticized with glycerol and without plasticizer were applied to two different paperboard substrates, a triple coated board and duplex board, in order to investigate the tendency for cracks to develop in the barrier coating layers during creasing and folding. Tensile properties of films based on the starch and starch-PVOH blend were determined to investigate the relationship between the flexibility of the films and the cracking in the barrier coating layers. Furthermore, the oxygen transmission rate through the barrier-coated paperboard was measured before and after creasing and folding. The oxygen transmission rate through the barrier-coated samples was over the measurable range i. e. OTR > 10000 cm 3 / m 2 day\text{OTR}>10000\hspace{0.1667em}{\text{cm}}^{3}/{\text{m}}^{2}\hspace{0.1667em}\text{day} after creasing and folding, which indicated failure in the barrier coating layers. Optical microscopy revealed small cracks in the barrier coating layers, probably related to an increase in flexibility of the barrier coating layers. It was observed in scanning electron micrographs that cracks in the barrier coating layers seemed to follow the fibers when the barrier coating was applied on the rear side of the duplex board. Scanning electron micrographs and surface profiler images revealed that cracks in the barrier coating layers might have originated from the mineral coating layer when the starch and starch/PVOH coating layers were applied on the mineral-coated side of the triple coated board. An increase in the thickness of the barrier coating layer did not seem to increase the resistance to failure.
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| 7. |
- Javed, Asif, 1982-
(author)
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Effects of plasticizing and crosslinking on coatings based on blends of starch-PVOH and starch-lignin
- 2018
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Doctoral thesis (other academic/artistic)abstract
- A barrier material is usually needed on a fiber-based food package to protect the packed food from gases and moisture and thus maintain its quality. Barrier materials presently used in food packaging applications are mostly petroleum-based polymers. Over the last few decades, efforts have been made to replace petroleum-based materials with bio-based materials. The present work has focused on the possibility of using a natural barrier material on a fiber-based food package and the effects of plasticizing and cross-linking on the mechanical and barrier properties, and the stability in water of coatings based on starch-poly(vinyl alcohol) (PVOH) and starch-lignin blends.The flexibility of the starch films was increased by adding PVOH further by adding a plasticizer. It was shown that citric acid can act as a compatibilizer and cross-linker for starch and PVOH, and the use of citric acid may slow down the diffusion of both oxygen and water vapor if a multilayer coating strategy is used. The addition of polyethylene glycol to the pre-coating recipe resulted in a lower oxygen transmission rate through polyethylene-extruded board than when citric acid was added to the pre-coating. The flexibility of the barrier coatings and the properties of the base substrate affect the cracking tendency of the barrier coatings during the creasing and folding of a barrier-coated board.The addition of lignin to the starch reduced the migration of starch from the starch-lignin films and the addition of ammonium zirconium carbonate as a cross-linker reduced the migration of both starch and lignin from the films. The addition of starch to the lignin solution increased the solubility of lignin at low pH, and the pilot-coated board showed a significant decrease in migration of lignin from the coatings containing ammonium zirconium carbonate when the pH of the coating solution was decreased.
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| 8. |
- Javed, Asif, 1982-
(author)
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Effects of plasticizing and crosslinking on the mechanical and barrier properties of coatings based on blends of starch and poly(vinyl alcohol)
- 2015
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Licentiate thesis (other academic/artistic)abstract
- In the last decades, intensive research has been carried out in order to replace oil-based polymers with bio-based polymers due to growing environmental concerns. So far, most of the barrier materials used in food packaging are petroleum-based materials. The purpose of the barrier is to protect the packaged food from oxygen, water vapour, water and fat. The mechanical and barrier properties of coatings based on starch-plasticizer and starch-poly(vinyl alcohol) (PVOH)-plasticizer blends have been studied in the work described in this thesis. The plasticizers used were glycerol, polyethylene glycol and citric acid. In a second step, polyethylene coatings were extruded onto paperboard pre-coated with a starch-PVOH-plasticizer blend. The addition of PVOH to the starch increased the flexibility of the film. Curing of the film led to a decrease in flexibility and an increase in tensile strength. The flexibility of the starch-PVOH films was increased more when glycerol or polyethylene glycol was added than citric acid. The storage modulus of the starch-PVOH films containing citric acid increased substantially at high temperature.It was seen that the addition of polyethylene glycol or citric acid to the starch-PVOH blend resulted in an enrichment of PVOH at the surface of the films. Tensile tests on the films indicated that citric acid acted as a compatibilizer and increased the compatibility of the starch and PVOH in the blend. The addition of citric acid to the coating recipe substantially decreased the water vapour transmission rate through the starch-PVOH coated paperboard, which indicated that citric acid acts as a cross-linker for starch and/or PVOH. The starch-PVOH coatings containing citric acid showed oxygen-barrier properties similar to those of pure PVOH or of a starch-PVOH blend without plasticizer when four coating layers were applied on a paperboard. The oxygen-barrier properties of coatings based on a starch-PVOH blend containing citric acid indicated a cross-linking and increase in compatibility of the starch-PVOH blends.Polyethylene extrusion coating on a pre-coated paperboard resulted in a clear reduction in the oxygen transmission rate for all the pre-coating formulations containing plasticizers. The addition of a plasticizer to the pre-coating reduced the adhesion of polyethylene to pre-coated board. Polyethylene extrusion coating gave a board with a lower oxygen transmission rate when the paperboard was pre-coated with a polyethylene-glycol-containing formulation than with a citric-acid-containing formulation. The addition of polyethylene glycol to pre-coatings indicated an increase in wetting of the pre-coated paperboard by the polyethylene melt, and this may have sealed the small defects in the pre-coating leading to low oxygen transmission rate. The increase in brittleness of starch-PVOH films containing citric acid at a high temperature seemed to have a dominating effect on the barrier properties developed by the extrusion coating process.
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| 9. |
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| 10. |
- Javed, Asif, 1982-, et al.
(author)
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Lignin-containing coatings for packaging materials
- 2018
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In: Nordic Pulp & Paper Research Journal. - : Walter de Gruyter GmbH. - 0283-2631 .- 2000-0669. ; 33:3, s. 548-556
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Journal article (peer-reviewed)abstract
- The mechanical properties and chemical stability in water of self-supporting films made from aqueous solutions of starch and lignin, and the barrier properties of paperboard coated with solutions of these polymers have been studied. The dissolution of starch from the starch-lignin films in contact with the model liquids was decreased significantly when lignin was added to the starch films. The addition of ammonium zirconium carbonate (AZC) to the formulations as a crosslinking agent substantially increased the storage modulus of the starch-lignin films, which indicated that crosslinking had occurred. The addition of AZC to the formulations also led to a decrease in dissolution of both starch and lignin from the starch-lignin films in contact with model liquids. The effect of AZC on the water stability of the films was greater when the pH of the starch-lignin-AZC solution was adjusted with ammonia rather than NaOH. The addition of NH4Cl solution as a presumed catalyst to the recipe when the pH adjustment was performed with NaOH did not improve the effect of AZC on the water stability of the films. The water vapour transmission rate of the coated paperboard decreased slightly when AZC was added to the coating formulation.
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