cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.963119.v1
title: Metal-free, metallo-porphyrazines, monomeric bisaxial complex [FePz(py)<sub>2</sub>] and the bridged complex [FePz(pyz)]<sub><i>n</i></sub> with eight (4-thiobutyl 4-biphenylcarboxylate) groups

description: Metal-free and metallo-porphyrazines (M = Mg, Co, Cu, Zn, and ClFe) carrying eight hydroxybutylthio groups at peripheral positions were prepared from 2,3-bis(4-hydroxybutylthio) maleonitrile. The hydroxybutyl groups were incorporated by esterification of porphyrazine derivatives with 4-biphenylcarboxylic acid in the presence of dicyclohexylcarbodiimide and <i>p</i>-toluenesulfonic acid. Unlike the parent porphyrazine, the symmetrically functionalized porphyrazines with eight ester units were soluble in common organic solvents such as chloroform, dichloromethane, tetrahydrofuran, acetone, and toluene and insoluble in water and <i>n</i>-hexane. Chloro-octakis(4-thiobutyl 4-biphenylcarboxylate) porphyrazinato iron(III) (FePzCl) was prepared by the reaction of metal-free porphyrazine with iron(II) acetate and further treatment with HCl solution. The monomeric bisaxial complex [FePz(py)<sub>2</sub>] and the bridged complex [FePz(pyz)]<sub><i>n</i></sub> were formed as stable complexes by reacting FePzCl with pyridine and pyrazine, respectively. The newly synthesized compounds were characterized by elemental analysis, FT-IR, UV‒vis, mass, <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy.
DOI: 10.6084/m9.figshare.963114
title: Synthesis, solution properties, and solid-state structural analysis of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub>·<i>n</i>CH<sub>3</sub>CN (<i>n </i>=<i> </i>1 or 0 and dpktsc<i> </i>=<i> </i>di-2-pyridyl ketone thiosemicarbazone)

description: Ultrasonic radiation of a mixture of [Mn(CO)<sub>5</sub>Br], [dpktsc], and CH<sub>3</sub>CN gave [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub>·<i>n</i>CH<sub>3</sub>CN (<i>n </i>=<i> </i>0 or 1). Under reflux, a mixture of [Mn(CO)<sub>5</sub>Br], [dpktsc], and CH<sub>3</sub>CN gave [Mn(κ<sup>3</sup>-N,N,S-dpktsc-H)<sub>2</sub>]·2H<sub>2</sub>O. Crystals of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub> were obtained by the evaporation of CH<sub>3</sub>CN from crystals of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub>·CH<sub>3</sub>CN. The solid-state structures of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub>·<i>n</i>CH<sub>3</sub>CN (<i>n </i>=<i> </i>0 or 1) reveal two independent centrosymmetric dimers in the unit cell of each crystal and one CH<sub>3</sub>CN in the case of solvated crystal. Crystals of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub>·<i>n</i>CH<sub>3</sub>CN are stabilized by a network of non-covalent interactions that include hydrogen bonds and π<i>–</i>π interactions. Spectroscopic measurements reveal sensitivity of protophilic solutions of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub> and [Mn(κ<sup>3</sup>-N,N,S-dpktsc-H)<sub>2</sub>]·2H<sub>2</sub>O to changes in their surroundings, as manifested by changes in the intensity of electronic absorption spectral properties in the presence and absence of external stimulus (acid or base). Electrochemical measurements in DMF reveal two closely spaced reduction/oxidation couples due to Mn<sup>I</sup> → Mn<sup>0</sup> and Mn<sup>I</sup> → Mn<sup>II</sup> of the dimer. In the case of [Mn(κ<sup>3</sup>-N,N,S-dpktsc-H)<sub>2</sub>]·2H<sub>2</sub>O, two well-separated reductions appeared due to Mn<sup>II</sup> → Mn<sup>I</sup> and Mn<sup>I</sup> → Mn<sup>0</sup>. Electrochemical reactions of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub> and [Mn(κ<sup>3</sup>-N,N,S-dpktsc-H)<sub>2</sub>]·2H<sub>2</sub>O show the monomer to be more active toward CO<sub>2</sub> than the dimer.
DOI: 10.6084/m9.figshare.963114.v1
title: Synthesis, solution properties, and solid-state structural analysis of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub>·<i>n</i>CH<sub>3</sub>CN (<i>n </i>=<i> </i>1 or 0 and dpktsc<i> </i>=<i> </i>di-2-pyridyl ketone thiosemicarbazone)

description: Ultrasonic radiation of a mixture of [Mn(CO)<sub>5</sub>Br], [dpktsc], and CH<sub>3</sub>CN gave [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub>·<i>n</i>CH<sub>3</sub>CN (<i>n </i>=<i> </i>0 or 1). Under reflux, a mixture of [Mn(CO)<sub>5</sub>Br], [dpktsc], and CH<sub>3</sub>CN gave [Mn(κ<sup>3</sup>-N,N,S-dpktsc-H)<sub>2</sub>]·2H<sub>2</sub>O. Crystals of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub> were obtained by the evaporation of CH<sub>3</sub>CN from crystals of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub>·CH<sub>3</sub>CN. The solid-state structures of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub>·<i>n</i>CH<sub>3</sub>CN (<i>n </i>=<i> </i>0 or 1) reveal two independent centrosymmetric dimers in the unit cell of each crystal and one CH<sub>3</sub>CN in the case of solvated crystal. Crystals of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub>·<i>n</i>CH<sub>3</sub>CN are stabilized by a network of non-covalent interactions that include hydrogen bonds and π<i>–</i>π interactions. Spectroscopic measurements reveal sensitivity of protophilic solutions of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub> and [Mn(κ<sup>3</sup>-N,N,S-dpktsc-H)<sub>2</sub>]·2H<sub>2</sub>O to changes in their surroundings, as manifested by changes in the intensity of electronic absorption spectral properties in the presence and absence of external stimulus (acid or base). Electrochemical measurements in DMF reveal two closely spaced reduction/oxidation couples due to Mn<sup>I</sup> → Mn<sup>0</sup> and Mn<sup>I</sup> → Mn<sup>II</sup> of the dimer. In the case of [Mn(κ<sup>3</sup>-N,N,S-dpktsc-H)<sub>2</sub>]·2H<sub>2</sub>O, two well-separated reductions appeared due to Mn<sup>II</sup> → Mn<sup>I</sup> and Mn<sup>I</sup> → Mn<sup>0</sup>. Electrochemical reactions of [Mn(κ<sup>4</sup>-N,N,S,N-dpktsc)Br]<sub>2</sub> and [Mn(κ<sup>3</sup>-N,N,S-dpktsc-H)<sub>2</sub>]·2H<sub>2</sub>O show the monomer to be more active toward CO<sub>2</sub> than the dimer.
DOI: 10.6084/m9.figshare.963099
title: An expert elicitation of climate, energy and economic uncertainties

description: An expert elicitation of climate, energy and economic uncertainties
DOI: 10.6084/m9.figshare.963070
title: Where Sustainable Transport and Social Exclusion Meet: Households Without Cars and Car Dependence in Great Britain

description: A secondary analysis of the British National Travel Survey for the years 2002–2010 shows that the composition of the group of carless households is a good indicator of the level of car dependence in a local area: indeed, while non-car ownership in peripheral and rural areas very often correspond to a marginal socio-demographic situation, this is less and less true as one moves towards larger urban areas. Similarly, while in sparse areas most households without cars are either virtually immobile or reliant on car lifts, in large urban areas the ‘mobility gap’ between car-owning and carless households is considerably smaller, as the latter are able to use modal alternatives to the car. These findings are interpreted with reference to an integrated theoretical framework, showing how changes in land use and the environmental and social impacts of increasing motorization are intimately linked. Notably, the consequences of the self-reinforcing cycle of car dependence on two forms of car-related transport disadvantage (car deprivation and forced car ownership) are highlighted. Overall, the article highlights how the socio-demographic composition and the travel behaviour of carless households vary systematically across different types of area: this has interesting implications for sustainable transport policy and research.
DOI: 10.6084/m9.figshare.963069
title: Viability of using global standards for neighbourhood sustainability assessment: insights from a comparative case study

description: Neighbourhoods are increasingly gaining attention as planning units of great potential for contribution to sustainable development. Many assessment tools such as LEED-ND, BREEAM Communities and CASBEE-UD have been developed to examine the sustainability of neighbourhood development projects. Some of these tools are claimed to be suitable for assessment in different contexts, and LEED-ND has already been utilised in various countries. This study investigates the viability of using global standards through a series of comparative case studies. One certified case from each of the aforementioned tools is chosen and evaluated against its non-corresponding assessment tools. Selected cases are, respectively, Hoyt Yards, MediaCityUK and Koshigaya Lake Town. Results of this study provide evidence that casts doubt on the viability of using global standards. The paper concludes that neighbourhood sustainability assessment should be regarded as a pluralistic practice. This implies that any realistic and reliable assessment should take account of the specificities of specific locations and varying needs of different stakeholders.
DOI: 10.6084/m9.figshare.963069.v2
title: Viability of using global standards for neighbourhood sustainability assessment: insights from a comparative case study

description: Neighbourhoods are increasingly gaining attention as planning units of great potential for contribution to sustainable development. Many assessment tools such as LEED-ND, BREEAM Communities and CASBEE-UD have been developed to examine the sustainability of neighbourhood development projects. Some of these tools are claimed to be suitable for assessment in different contexts, and LEED-ND has already been utilised in various countries. This study investigates the viability of using global standards through a series of comparative case studies. One certified case from each of the aforementioned tools is chosen and evaluated against its non-corresponding assessment tools. Selected cases are, respectively, Hoyt Yards, MediaCityUK and Koshigaya Lake Town. Results of this study provide evidence that casts doubt on the viability of using global standards. The paper concludes that neighbourhood sustainability assessment should be regarded as a pluralistic practice. This implies that any realistic and reliable assessment should take account of the specificities of specific locations and varying needs of different stakeholders.
DOI: 10.6084/m9.figshare.963070.v2
title: Where Sustainable Transport and Social Exclusion Meet: Households Without Cars and Car Dependence in Great Britain

description: A secondary analysis of the British National Travel Survey for the years 2002–2010 shows that the composition of the group of carless households is a good indicator of the level of car dependence in a local area: indeed, while non-car ownership in peripheral and rural areas very often correspond to a marginal socio-demographic situation, this is less and less true as one moves towards larger urban areas. Similarly, while in sparse areas most households without cars are either virtually immobile or reliant on car lifts, in large urban areas the ‘mobility gap’ between car-owning and carless households is considerably smaller, as the latter are able to use modal alternatives to the car. These findings are interpreted with reference to an integrated theoretical framework, showing how changes in land use and the environmental and social impacts of increasing motorization are intimately linked. Notably, the consequences of the self-reinforcing cycle of car dependence on two forms of car-related transport disadvantage (car deprivation and forced car ownership) are highlighted. Overall, the article highlights how the socio-demographic composition and the travel behaviour of carless households vary systematically across different types of area: this has interesting implications for sustainable transport policy and research.
DOI: 10.6084/m9.figshare.963069.v1
title: Viability of using global standards for neighbourhood sustainability assessment: insights from a comparative case study

description: Neighbourhoods are increasingly gaining attention as planning units of great potential for contribution to sustainable development. Many assessment tools such as LEED-ND, BREEAM Communities and CASBEE-UD have been developed to examine the sustainability of neighbourhood development projects. Some of these tools are claimed to be suitable for assessment in different contexts, and LEED-ND has already been utilised in various countries. This study investigates the viability of using global standards through a series of comparative case studies. One certified case from each of the aforementioned tools is chosen and evaluated against its non-corresponding assessment tools. Selected cases are, respectively, Hoyt Yards, MediaCityUK and Koshigaya Lake Town. Results of this study provide evidence that casts doubt on the viability of using global standards. The paper concludes that neighbourhood sustainability assessment should be regarded as a pluralistic practice. This implies that any realistic and reliable assessment should take account of the specificities of specific locations and varying needs of different stakeholders.
DOI: 10.6084/m9.figshare.963070.v1
title: Where Sustainable Transport and Social Exclusion Meet: Households Without Cars and Car Dependence in Great Britain

description: A secondary analysis of the British National Travel Survey for the years 2002–2010 shows that the composition of the group of carless households is a good indicator of the level of car dependence in a local area: indeed, while non-car ownership in peripheral and rural areas very often correspond to a marginal socio-demographic situation, this is less and less true as one moves towards larger urban areas. Similarly, while in sparse areas most households without cars are either virtually immobile or reliant on car lifts, in large urban areas the ‘mobility gap’ between car-owning and carless households is considerably smaller, as the latter are able to use modal alternatives to the car. These findings are interpreted with reference to an integrated theoretical framework, showing how changes in land use and the environmental and social impacts of increasing motorization are intimately linked. Notably, the consequences of the self-reinforcing cycle of car dependence on two forms of car-related transport disadvantage (car deprivation and forced car ownership) are highlighted. Overall, the article highlights how the socio-demographic composition and the travel behaviour of carless households vary systematically across different types of area: this has interesting implications for sustainable transport policy and research.
DOI: 10.6084/m9.figshare.963059
title: Physiological and Proteomic Responses of Different Willow Clones (<i>Salix fragilis</i> X <i>alba</i>) Exposed to Dredged Sediment Contaminated by Heavy Metals

description: High biomass producing species are considered as tools for remediation of contaminated soils. Willows <i>(Salix spp.)</i> are prominent study subjects in this regard. In this study, different willow clones <i>(Salix fragilis x alba)</i> were planted on heavy-metal polluted dredging sludge. A first objective was assessment of the biomass production for these clones. Using a Gupta statistic, four clones were identified as high biomass producers (HBP). For comparison, a group of four clones with lowest biomass production were selected (LBP). A second objective was to compare metal uptake as well as the physiological and proteomic responses of these two groups. All these complementary data's allow us to have a better picture of the health of the clones that would be used in phytoremediation programs. Cd, Zn, and Ni total uptake was higher in the HBPs but Pb total uptake was higher in LBPs. Our proteomic and physiological results showed that the LBPs were able to maintain cellular activity as much as the HBPs although the oxidative stress response was more pronounced in the LBPs. This could be due to the high Pb content found in this group although a combined effect of the other metals cannot be excluded.
DOI: 10.6084/m9.figshare.963060
title: Rhizoremediation of Diesel-Contaminated Soil with Two Rapeseed Varieties and Petroleum degraders Reveals Different Responses of the Plant Defense Mechanisms

description: Plant-assisted bioremediation (rhizoremediation) stands out as a potential tool to inactivate or completely remove xenobiotics from the polluted environment. Therefore, it is of key importance to find an adequate combination of plant species and microorganisms that together enhance the clean-up process. To understand the response of plants upon bioaugmentation, the antioxidative and detoxification system was analyzed in high and low erucic acid rapeseed varieties (HEAR and LEAR, respectively), after 8 weeks of their treatment with petroleum degraders and 6000 mg diesel oil/kg dry soil. The oxidative stress was enhanced in LEAR being exposed to sole diesel oil, in comparison with HEAR. However, when LEAR plants were additionally inoculated with bacteria, suppression of total catalase (CAT) and ascorbate peroxidase (APX) activity were observed. Interestingly, glutathione transferase (GST) activity was found in these plants at a much higher level than in HEAR, which correlated with a more efficient diesel removal performed by LEAR in the polluted soil and upon bioaugmentation. A distinct profile of polycyclic aromatic hydrocarbons (PAH) was detected in leaves of these plants. Neither LEAR nor HEAR experienced any changes in the photosynthetic capacity upon diesel pollution and presence of petroleum degraders, which supports the usefulness of rhizoremediation with rapeseed.
DOI: 10.6084/m9.figshare.963054
title: Wellcome Trust APC spend 2012-13: data file

description: In an attempt to make the debate around the costs of open access publishing more evidence-based, the Wellcome Trust is releasing into the public domain details of its open access spend in the year 2012-2013, as reported by UK institutions and the Trust’s Major Overseas Programmes in receipt of an OA block grant. The data only include information when an APC was levied. If an author has self-archived a paper, or the publisher provides a gold OA service (but makes no charge), this information is not included in this dataset. Equally, data are not included in cases where a researcher (based at an institution not in receipt of an OA block grant) received a supplement to their grant to cover OA publishing costs
DOI: 10.6084/m9.figshare.963059.v1
title: Physiological and Proteomic Responses of Different Willow Clones (<i>Salix fragilis</i> X <i>alba</i>) Exposed to Dredged Sediment Contaminated by Heavy Metals

description: High biomass producing species are considered as tools for remediation of contaminated soils. Willows <i>(Salix spp.)</i> are prominent study subjects in this regard. In this study, different willow clones <i>(Salix fragilis x alba)</i> were planted on heavy-metal polluted dredging sludge. A first objective was assessment of the biomass production for these clones. Using a Gupta statistic, four clones were identified as high biomass producers (HBP). For comparison, a group of four clones with lowest biomass production were selected (LBP). A second objective was to compare metal uptake as well as the physiological and proteomic responses of these two groups. All these complementary data's allow us to have a better picture of the health of the clones that would be used in phytoremediation programs. Cd, Zn, and Ni total uptake was higher in the HBPs but Pb total uptake was higher in LBPs. Our proteomic and physiological results showed that the LBPs were able to maintain cellular activity as much as the HBPs although the oxidative stress response was more pronounced in the LBPs. This could be due to the high Pb content found in this group although a combined effect of the other metals cannot be excluded.
DOI: 10.6084/m9.figshare.963060.v1
title: Rhizoremediation of Diesel-Contaminated Soil with Two Rapeseed Varieties and Petroleum degraders Reveals Different Responses of the Plant Defense Mechanisms

description: Plant-assisted bioremediation (rhizoremediation) stands out as a potential tool to inactivate or completely remove xenobiotics from the polluted environment. Therefore, it is of key importance to find an adequate combination of plant species and microorganisms that together enhance the clean-up process. To understand the response of plants upon bioaugmentation, the antioxidative and detoxification system was analyzed in high and low erucic acid rapeseed varieties (HEAR and LEAR, respectively), after 8 weeks of their treatment with petroleum degraders and 6000 mg diesel oil/kg dry soil. The oxidative stress was enhanced in LEAR being exposed to sole diesel oil, in comparison with HEAR. However, when LEAR plants were additionally inoculated with bacteria, suppression of total catalase (CAT) and ascorbate peroxidase (APX) activity were observed. Interestingly, glutathione transferase (GST) activity was found in these plants at a much higher level than in HEAR, which correlated with a more efficient diesel removal performed by LEAR in the polluted soil and upon bioaugmentation. A distinct profile of polycyclic aromatic hydrocarbons (PAH) was detected in leaves of these plants. Neither LEAR nor HEAR experienced any changes in the photosynthetic capacity upon diesel pollution and presence of petroleum degraders, which supports the usefulness of rhizoremediation with rapeseed.
DOI: 10.6084/m9.figshare.963056
title: Parasites of Aquatic Exotic Invertebrates: Identification of Potential Risks Posed to the Great Lakes

description: ABSTRACTExotic species typically lose most of their associated parasites during long-distance spread. However, the few parasites that are co-introduced may have considerable adverse impacts on their novel hosts, including mass mortalities. We present a comprehensive inventory of parasites known to infect 38 species of exotic invertebrates established in the Great Lakes, as well as 16 invertebrate species predicted to arrive in the near future, all of them crustaceans. Based on a literature analysis, we identified a total of 277 parasite taxa associated with the examined invertebrates in their native ranges and/or invaded areas. Of these parasites, 56 species have been documented to cause various pathologies in their intermediate or final hosts, with humans and fishes being the most frequently affected host categories. Potentially harmful parasites were identified in 61% of the invaders for which published information was retrieved (in their ranges outside of the Great Lakes), with molluscs and crustaceans hosting the highest numbers of such parasites. The results of our study provide a baseline for further assessment and management of the parasitological risks posed by exotic species to the Great Lakes.
DOI: 10.6084/m9.figshare.963023
title: Photosynthetic biocathode enhances the power output of a sediment-type microbial fuel cell

description: Conventional microbial fuel cells (MFCs) consist of biological anodes and abiotic cathodes separated by a proton-exchange membrane. The abiotic cathode usually catalyses the reduction of oxygen to produce water by means of expensive catalysts such as platinum.<sup>1</sup> The cathodic reaction is often limiting in MFCs and researchers are now focusing on efficient, low-cost catalysts to improve oxygen reduction at the cathode. This paper describes a photosynthetic biocathode in a sediment-type MFC constructed without a proton-exchange membrane. The carbon and stainless steel cathode did not contain any catalyst, but was covered in a biofilm composed of a complex community including microalgae and cyanobacteria. Although electroactive species were detected in the cathode biofilm, no biocatalysis of oxygen reduction was observed. Enhancement of the current output was mostly due to the production of pure oxygen near the cathode surface by the photosynthetic biofilm. Photosynthesis could produce dissolved oxygen levels approximately four times higher than oxygen levels obtained by aeration. The MFC was able to generate a maximum power density of 11 mW/m<sup>2</sup> (projected anode area) over six months without feeding.