cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.963278
title: Development and validation of an n-dodecane skeletal mechanism for spray combustion applications

description: n-Dodecane is a promising surrogate fuel for diesel engine study because its physicochemical properties are similar to those of the practical diesel fuels. In the present study, a skeletal mechanism for n-dodecane with 105 species and 420 reactions was developed for spray combustion simulations. The reduction starts from the most recent detailed mechanism for n-alkanes consisting of 2755 species and 11,173 reactions developed by the Lawrence Livermore National Laboratory. An algorithm combining direct relation graph with expert knowledge (DRGX) and sensitivity analysis was employed for the present skeletal reduction. The skeletal mechanism was first extensively validated in 0-D and 1-D combustion systems, including auto-ignition, jet stirred reactor (JSR), laminar premixed flame and counter flow diffusion flame. Then it was coupled with well-established spray models and further validated in 3-D turbulent spray combustion simulations under engine-like conditions. These simulations were compared with the recent experiments with n-dodecane as a surrogate for diesel fuels. It can be seen that combustion characteristics such as ignition delay and flame lift-off length were well captured by the skeletal mechanism, particularly under conditions with high ambient temperatures. Simulations also captured the transient flame development phenomenon fairly well. The results further show that ignition delay may not be the only factor controlling the stabilisation of the present flames since a good match in ignition delay does not necessarily result in improved flame lift-off length prediction.
DOI: 10.6084/m9.figshare.963277
title: Linear and nonlinear quantitative structure-property relationship modelling of skin permeability

description: In this work, quantitative structure-property relationship (QSPR) models were developed to estimate skin permeability based on theoretically derived molecular descriptors and a diverse set of experimental data. The newly developed method combining modified particle swarm optimization (MPSO) and multiple linear regression (MLR) was used to select important descriptors and develop the linear model using a training set of 225 compounds. The adaptive neuro-fuzzy inference system (ANFIS) was used as an efficient nonlinear method to correlate the selected descriptors with experimental skin permeability data (log <i>Kp</i>). The linear and nonlinear models were assessed by internal and external validation. The obtained models with three descriptors show good predictive ability for the test set, with coefficients of determination for the MPSO-MLR and ANFIS models equal to 0.874 and 0.890, respectively. The QSPR study suggests that hydrophobicity (encoded as log <i>P</i>) is the most important factor in transdermal penetration.
DOI: 10.6084/m9.figshare.963278.v2
title: Development and validation of an n-dodecane skeletal mechanism for spray combustion applications

description: n-Dodecane is a promising surrogate fuel for diesel engine study because its physicochemical properties are similar to those of the practical diesel fuels. In the present study, a skeletal mechanism for n-dodecane with 105 species and 420 reactions was developed for spray combustion simulations. The reduction starts from the most recent detailed mechanism for n-alkanes consisting of 2755 species and 11,173 reactions developed by the Lawrence Livermore National Laboratory. An algorithm combining direct relation graph with expert knowledge (DRGX) and sensitivity analysis was employed for the present skeletal reduction. The skeletal mechanism was first extensively validated in 0-D and 1-D combustion systems, including auto-ignition, jet stirred reactor (JSR), laminar premixed flame and counter flow diffusion flame. Then it was coupled with well-established spray models and further validated in 3-D turbulent spray combustion simulations under engine-like conditions. These simulations were compared with the recent experiments with n-dodecane as a surrogate for diesel fuels. It can be seen that combustion characteristics such as ignition delay and flame lift-off length were well captured by the skeletal mechanism, particularly under conditions with high ambient temperatures. Simulations also captured the transient flame development phenomenon fairly well. The results further show that ignition delay may not be the only factor controlling the stabilisation of the present flames since a good match in ignition delay does not necessarily result in improved flame lift-off length prediction.
DOI: 10.6084/m9.figshare.963277.v1
title: Linear and nonlinear quantitative structure-property relationship modelling of skin permeability

description: In this work, quantitative structure-property relationship (QSPR) models were developed to estimate skin permeability based on theoretically derived molecular descriptors and a diverse set of experimental data. The newly developed method combining modified particle swarm optimization (MPSO) and multiple linear regression (MLR) was used to select important descriptors and develop the linear model using a training set of 225 compounds. The adaptive neuro-fuzzy inference system (ANFIS) was used as an efficient nonlinear method to correlate the selected descriptors with experimental skin permeability data (log <i>Kp</i>). The linear and nonlinear models were assessed by internal and external validation. The obtained models with three descriptors show good predictive ability for the test set, with coefficients of determination for the MPSO-MLR and ANFIS models equal to 0.874 and 0.890, respectively. The QSPR study suggests that hydrophobicity (encoded as log <i>P</i>) is the most important factor in transdermal penetration.
DOI: 10.6084/m9.figshare.963278.v1
title: Development and validation of an n-dodecane skeletal mechanism for spray combustion applications

description: n-Dodecane is a promising surrogate fuel for diesel engine study because its physicochemical properties are similar to those of the practical diesel fuels. In the present study, a skeletal mechanism for n-dodecane with 105 species and 420 reactions was developed for spray combustion simulations. The reduction starts from the most recent detailed mechanism for n-alkanes consisting of 2755 species and 11,173 reactions developed by the Lawrence Livermore National Laboratory. An algorithm combining direct relation graph with expert knowledge (DRGX) and sensitivity analysis was employed for the present skeletal reduction. The skeletal mechanism was first extensively validated in 0-D and 1-D combustion systems, including auto-ignition, jet stirred reactor (JSR), laminar premixed flame and counter flow diffusion flame. Then it was coupled with well-established spray models and further validated in 3-D turbulent spray combustion simulations under engine-like conditions. These simulations were compared with the recent experiments with n-dodecane as a surrogate for diesel fuels. It can be seen that combustion characteristics such as ignition delay and flame lift-off length were well captured by the skeletal mechanism, particularly under conditions with high ambient temperatures. Simulations also captured the transient flame development phenomenon fairly well. The results further show that ignition delay may not be the only factor controlling the stabilisation of the present flames since a good match in ignition delay does not necessarily result in improved flame lift-off length prediction.
DOI: 10.6084/m9.figshare.963272
title: Equity and efficiency in adaptation finance: initial experiences of the Adaptation Fund

description: The Adaptation Fund, established under the Kyoto Protocol of the United Nations Framework Convention on Climate Change (UNFCCC), has now been approving funding for adaptation projects for more than two years. Given its particular institutional status and specific focus on concrete adaptation, it is particularly relevant to study the initial experiences of it for any future upscaling of international adaptation finance, despite the fact that its own resources are getting scarce. Alternative rationales for allocating funds, based on equity and efficiency concerns at both international and subnational levels, are here tested against the criteria and priorities of the Fund and decisions made on project approval. It is concluded that equity concerns appear to be the primary motivation and that allocation is <i>de facto</i> made between states rather than by considering inequity between subnational communities. However, the currency of vulnerability for determining equitable outcomes in allocation decisions has not been formalized, despite its central importance to the Fund. Instead, uniform national caps have been introduced. Such an equality approach can be considered inequitable. Finally, it is noted that although the Adaptation Fund Board has continuously developed its proposal review practices and adopted a learning-by-doing approach, it should provide both a further specification of the evaluation criteria and a compilation of best practices from approved proposals, and moreover enhance the transparency of the review process, all of which would clarify its core priorities for current and future project proponents.
DOI: 10.6084/m9.figshare.963268
title: Assessing the transport of receptor-mediated drug-delivery devices across cellular monolayers

description: Receptor-mediated endocytosis (RME) has been extensively studied as a method for augmenting the transport of therapeutic devices across monolayers. These devices range from simple ligand-therapeutic conjugates to complex ligand-nanocarrier systems. However, characterizing the uptake of these carriers typically relies on their comparisons to the native therapeutic, which provides no understanding of the ligand or cellular performance. To better understand the potential of the RME pathway, a model for monolayer transport was designed based on the endocytosis cycle of transferrin, a ligand often used in RME drug-delivery devices. This model established the correlation between apical receptor concentration and transport capability. Experimental studies confirmed this relationship, demonstrating an upper transport limit independent of the applied dose. This contrasts with the dose-proportional pathways that native therapeutics rely on for transport. Thus, the direct comparison of these two transport mechanisms can produce misleading results that change with arbitrarily chosen doses. Furthermore, transport potential was hindered by repeated use of the RME cycle. Future studies should base the success of this technology not on the performance of the therapeutic itself, but on the capabilities of the cell. Using receptor-binding studies, we were able to demonstrate how these capabilities can be predicted and potentially adopted for high-throughput screening methods.
DOI: 10.6084/m9.figshare.963271
title: Effectiveness of ecosystem-based approaches for adaptation: review of the evidence-base

description: Ecosystem-based approaches for adaptation (EbA) integrate the use of biodiversity and ecosystem services into an overall strategy for helping people adapt to climate change. To date, however, insight into these approaches has often been based on anecdotal case studies of local peoples' use of ecosystems. A systematic map of EbA-relevant peer-reviewed literature, and a sample of grey literature, was undertaken to (1) give a methodical overview of the state of the evidence-base on EbA effectiveness and (2) identify key knowledge gaps. A framework was developed with stakeholders to assess the evidence-base for EbA effectiveness. The literature reviewed showed that much can be learnt about EbA from articles which considered climatic variability and climate extremes. Measures of the effectiveness of EbA-relevant interventions recorded in the articles showed positive results, although discussion of thresholds, limits and timescales related to these interventions was limited. Social, environmental and economic benefits of EbA interventions were in evidence in most articles, and though costs were discussed, this was limited in extent. It is concluded that the literature on EbA-relevant interventions addressing climatic variability, change, and linked extremes and natural hazards, contains some information that will support making the case for EbA, but the evidence-base has a number of gaps that should be addressed.
DOI: 10.6084/m9.figshare.963268.v1
title: Assessing the transport of receptor-mediated drug-delivery devices across cellular monolayers

description: Receptor-mediated endocytosis (RME) has been extensively studied as a method for augmenting the transport of therapeutic devices across monolayers. These devices range from simple ligand-therapeutic conjugates to complex ligand-nanocarrier systems. However, characterizing the uptake of these carriers typically relies on their comparisons to the native therapeutic, which provides no understanding of the ligand or cellular performance. To better understand the potential of the RME pathway, a model for monolayer transport was designed based on the endocytosis cycle of transferrin, a ligand often used in RME drug-delivery devices. This model established the correlation between apical receptor concentration and transport capability. Experimental studies confirmed this relationship, demonstrating an upper transport limit independent of the applied dose. This contrasts with the dose-proportional pathways that native therapeutics rely on for transport. Thus, the direct comparison of these two transport mechanisms can produce misleading results that change with arbitrarily chosen doses. Furthermore, transport potential was hindered by repeated use of the RME cycle. Future studies should base the success of this technology not on the performance of the therapeutic itself, but on the capabilities of the cell. Using receptor-binding studies, we were able to demonstrate how these capabilities can be predicted and potentially adopted for high-throughput screening methods.
DOI: 10.6084/m9.figshare.963272.v2
title: Equity and efficiency in adaptation finance: initial experiences of the Adaptation Fund

description: The Adaptation Fund, established under the Kyoto Protocol of the United Nations Framework Convention on Climate Change (UNFCCC), has now been approving funding for adaptation projects for more than two years. Given its particular institutional status and specific focus on concrete adaptation, it is particularly relevant to study the initial experiences of it for any future upscaling of international adaptation finance, despite the fact that its own resources are getting scarce. Alternative rationales for allocating funds, based on equity and efficiency concerns at both international and subnational levels, are here tested against the criteria and priorities of the Fund and decisions made on project approval. It is concluded that equity concerns appear to be the primary motivation and that allocation is <i>de facto</i> made between states rather than by considering inequity between subnational communities. However, the currency of vulnerability for determining equitable outcomes in allocation decisions has not been formalized, despite its central importance to the Fund. Instead, uniform national caps have been introduced. Such an equality approach can be considered inequitable. Finally, it is noted that although the Adaptation Fund Board has continuously developed its proposal review practices and adopted a learning-by-doing approach, it should provide both a further specification of the evaluation criteria and a compilation of best practices from approved proposals, and moreover enhance the transparency of the review process, all of which would clarify its core priorities for current and future project proponents.
DOI: 10.6084/m9.figshare.963271.v1
title: Effectiveness of ecosystem-based approaches for adaptation: review of the evidence-base

description: Ecosystem-based approaches for adaptation (EbA) integrate the use of biodiversity and ecosystem services into an overall strategy for helping people adapt to climate change. To date, however, insight into these approaches has often been based on anecdotal case studies of local peoples' use of ecosystems. A systematic map of EbA-relevant peer-reviewed literature, and a sample of grey literature, was undertaken to (1) give a methodical overview of the state of the evidence-base on EbA effectiveness and (2) identify key knowledge gaps. A framework was developed with stakeholders to assess the evidence-base for EbA effectiveness. The literature reviewed showed that much can be learnt about EbA from articles which considered climatic variability and climate extremes. Measures of the effectiveness of EbA-relevant interventions recorded in the articles showed positive results, although discussion of thresholds, limits and timescales related to these interventions was limited. Social, environmental and economic benefits of EbA interventions were in evidence in most articles, and though costs were discussed, this was limited in extent. It is concluded that the literature on EbA-relevant interventions addressing climatic variability, change, and linked extremes and natural hazards, contains some information that will support making the case for EbA, but the evidence-base has a number of gaps that should be addressed.
DOI: 10.6084/m9.figshare.963272.v1
title: Equity and efficiency in adaptation finance: initial experiences of the Adaptation Fund

description: The Adaptation Fund, established under the Kyoto Protocol of the United Nations Framework Convention on Climate Change (UNFCCC), has now been approving funding for adaptation projects for more than two years. Given its particular institutional status and specific focus on concrete adaptation, it is particularly relevant to study the initial experiences of it for any future upscaling of international adaptation finance, despite the fact that its own resources are getting scarce. Alternative rationales for allocating funds, based on equity and efficiency concerns at both international and subnational levels, are here tested against the criteria and priorities of the Fund and decisions made on project approval. It is concluded that equity concerns appear to be the primary motivation and that allocation is <i>de facto</i> made between states rather than by considering inequity between subnational communities. However, the currency of vulnerability for determining equitable outcomes in allocation decisions has not been formalized, despite its central importance to the Fund. Instead, uniform national caps have been introduced. Such an equality approach can be considered inequitable. Finally, it is noted that although the Adaptation Fund Board has continuously developed its proposal review practices and adopted a learning-by-doing approach, it should provide both a further specification of the evaluation criteria and a compilation of best practices from approved proposals, and moreover enhance the transparency of the review process, all of which would clarify its core priorities for current and future project proponents.<b>Policy relevance</b>Adaptation to climate change is a complex phenomenon. Given the uncertainty of climate impacts, the magnitude of expected adaptation needs globally, the limited knowledge regarding what constitutes effective adaptation, and scarce public resources, it is of vital importance that the policy and scientific communities learn how it can best be supported. The Adaptation Fund is an innovative funding mechanism in several respects, yet it is still unclear what the underlying rationale is that informs the allocation of its scarce resources. This article aims to interpret whether equity or efficiency concerns influence allocation and make some concrete recommendations as to its future form, thereby contributing to the state of knowledge regarding the Fund's role.
DOI: 10.6084/m9.figshare.963241
title: Fabrication of Core–Shell Novel Polyurea Microcapsules Using Isophorone Diisocyanate (IPDI) Trimer for Release System

description: Isophorone diisocyanate (IPDI) trimer based novel polyurea core shell structures were developed by interfacial polymerization. Different operating conditions have been used to fabricate shell to encapsulate core. Characterizations of prepared microcapsules were done by Fourier transform infrared spectroscopy, thermogravimetric analysis, and particle size analyzer. The surface morphology of microcapsules was examined by optical microscopy, scanning electron microscopy, and transmission electron microscopy. The release rate of core from microcapsules was estimated by UV and gas chromatography. The results revealed that tailor made release can be adjusted by varying operational protocol for shell and fabricated shell can be extended to other applications such as self-healing coatings and drug delivery.
DOI: 10.6084/m9.figshare.963241.v1
title: Fabrication of Core–Shell Novel Polyurea Microcapsules Using Isophorone Diisocyanate (IPDI) Trimer for Release System

description: Isophorone diisocyanate (IPDI) trimer based novel polyurea core shell structures were developed by interfacial polymerization. Different operating conditions have been used to fabricate shell to encapsulate core. Characterizations of prepared microcapsules were done by Fourier transform infrared spectroscopy, thermogravimetric analysis, and particle size analyzer. The surface morphology of microcapsules was examined by optical microscopy, scanning electron microscopy, and transmission electron microscopy. The release rate of core from microcapsules was estimated by UV and gas chromatography. The results revealed that tailor made release can be adjusted by varying operational protocol for shell and fabricated shell can be extended to other applications such as self-healing coatings and drug delivery.
DOI: 10.6084/m9.figshare.963240
title: Supplementary feeding of the reintroduced Red Kite <i>Milvus milvus</i> in UK gardens

description: <b>Capsule</b> The provision of meat for garden birds is unusual in the UK but a reintroduced raptor, the Red Kite <i>Milvus milvus</i>, is now regularly fed in some areas. A questionnaire of garden kite feeders revealed that people were most often motivated to feed by a desire to see kites close up and that most provisioning falls within available guidelines. We estimated the median amount of food thought to be taken by kites per kite-feeding garden per day as 21 g, sufficient to support 0.12–0.26 individuals.
DOI: 10.6084/m9.figshare.963240.v3
title: Supplementary feeding of the reintroduced Red Kite <i>Milvus milvus</i> in UK gardens

description: <b>Capsule</b> The provision of meat for garden birds is unusual in the UK but a reintroduced raptor, the Red Kite <i>Milvus milvus</i>, is now regularly fed in some areas. A questionnaire of garden kite feeders revealed that people were most often motivated to feed by a desire to see kites close up and that most provisioning falls within available guidelines. We estimated the median amount of food thought to be taken by kites per kite-feeding garden per day as 21 g, sufficient to support 0.12–0.26 individuals.