bluuebunny/crossref_metadata_2025_split huggingface dataset:
Characterizing the Effects of a “Switchable Water” Additive on the Aqueous Solubility of Small Molecules
Authors: Vanderveen Jesse R. , Burra Sarika , Geng Jialing , Goyon Alexandre , Jardine Alexander , Shin Hyejin E. , Andrea Tamer , Dyson Paul J. , Jessop Philip G. 
Published: January 2018

Abstract“Switchable water” is an aqueous solution containing a water‐soluble amine additive that exhibits CO2‐switchable properties, such as large changes in ionic strength, by forming an ammonium bicarbonate salt. Switchable water has been used to reversibly “salt‐out” organic compounds from water. This study explores the salting out of several compounds in switchable water when CO2 is present and also explores the solubility of small molecules in switchable water, compared to pure water, when CO2 is absent. The results show that organic compounds are generally more soluble in switchable water than pure water in the absence of CO2, but less soluble in the presence of 1 atm CO2. Exceptions include carboxylic acids and phenols which, presumably due to their acidity, are more soluble in switchable water than in pure water, even when CO2 is applied. Kirkwood–Buff solvation theory was applied to gain insights into the effects of the amine additive on the aqueous solubility of caffeine. Furthermore, the switchable properties of the additives allow for the preparation of switchable aqueous two‐phase systems.
Towards Dual‐Functionality Spin‐Crossover Complexes
Authors: Feltham Humphrey L. C. , Dankhoff Katja , Meledandri Carla J. , Brooker Sally 
Published: January 2018

AbstractThe multistep synthesis of a versatile new 4‐substituted 3,5‐bis(2‐pyridyl)‐1,2,4‐triazole (Rdpt) ligand, 4‐[4‐(2‐aminomethyl)phenyl]‐3,5‐bis(2‐pyridyl)‐4 H‐1,2,4‐triazole (apdpt), is reported, which features a reactive aminomethyl para‐substituent on the phenyl group that points “out of the back” of the triazole. This enables further functionalisation under mild conditions by using a range of esters to form an amide link. Specifically, this proof of principle study demonstrates the synthesis of apdpt successfully appended with gold‐binding thioctic acid (tpdpt), graphene‐binding/emissive pyrene/propylpyrene (prdpt/pbdpt), and a Langmuir–Blodgett film‐forming polyethylene glycol (PEG) tail (pgdpt). These ligands are subsequently reacted with [Fe(pyridine)4(NCBH3)2] to give the mononuclear iron(II) complexes [Fe(Rdpt)2(NCBH3)2]⋅solvent, in which Rdpt/solvent is tpdpt/2.5 H2O (1), prdpt/0.5 CHCl3⋅H2O (2), and pbdpt/0.5 CHCl3⋅2 H2O  (3), as red powders. Magnetic studies on these powders indicate that the complexes undergo only very gradual and incomplete spin crossover, from completely or mostly high spin at 300 K, to half or three‐quarters high spin at 50 K. Gold nanoparticles are successfully functionalised with the thioctic acid tpdpt ligand to give tpdpt@Au with an average diameter (as determined by TEM) of (3.1±0.7) nm. Preliminary studies on the two pyrene systems in dimethylformamide show that upon excitation at λ=345 nm the blue fluorescence observed for the free ligands is retained, essentially unaffected, in the respective complexes.
Design of Copper‐Based Bimetallic Nanoparticles for Carbon Dioxide Adsorption and Activation
Authors: Dean James , Yang Yahui , Austin Natalie , Veser Götz , Mpourmpakis Giannis 
Published: January 2018

AbstractCu‐based nanoparticles (NPs) are promising candidates for the catalytic hydrogenation of CO2 to useful chemicals because of their low cost. However, CO2 adsorption and activation on Cu is not feasible. In this work we demonstrate a computational framework that identifies Cu‐based bimetallic NPs able to adsorb and activate CO2 based on DFT calculations. We screen a series of heteroatoms on Cu‐based NPs based on their preference to occupy a surface site on the NP and to adsorb and activate CO2. We revealed two descriptors for CO2 adsorption on the bimetallic NPs, the heteroatom (i) local d‐band center and (ii) electropositivity, which both drive an effective charge transfer from the NP to CO2. We identified the CuZr bimetallic NP as a candidate nanostructure for CO2 adsorption and showed that although the Zr sites can be oxidized because of their high oxophilicity, they are still able to adsorb and activate CO2 strongly. Importantly, our computational results are verified by targeted synthesis, characterization, and CO2 adsorption experiments that demonstrate that i) Zr segregates on the surface of Cu, ii) Zr is oxidized to form a bimetallic mixed CuZr oxide catalyst, which iii) can strongly adsorb CO2, whereas Cu NPs cannot. Overall our work highlights the importance of the generation of binding sites on a NP surface based on (catalyst) stability and electronic structure properties, which can lead to the design of more effective CO2 reduction catalysts.
Influence of damming on anuran species richness in riparian areas: A test of the serial discontinuity concept
Authors: Guzy Jacquelyn C. , Eskew Evan A. , Halstead Brian J. , Price Steven J. 
Published: January 2018

AbstractAlmost all large rivers worldwide are fragmented by dams, and their impacts have been modeled using the serial discontinuity concept (SDC), a series of predictions regarding responses of key biotic and abiotic variables. We evaluated the effects of damming on anuran communities along a 245‐km river corridor by conducting repeated, time‐constrained anuran calling surveys at 42 locations along the Broad and Pacolet Rivers in South Carolina, USA. Using a hierarchical Bayesian analysis, we test the biodiversity prediction of the SDC (modified for floodplain rivers) by evaluating anuran occupancy and species diversity relative to dams and degree of urbanized land use. The mean response of the anuran community indicated that occupancy and species richness were maximized when sites were farther downstream from dams. Sites at the farthest distances downstream of dams (47.5 km) had an estimated ~3 more species than those just below dams. Similarly, species‐specific occupancy estimates showed a trend of higher occupancy downstream from dams. Therefore, using empirical estimation within the context of a 245‐km river riparian landscape, our study supports SDC predictions for a meandering river. We demonstrate that with increasing distance downstream from dams, riparian anuran communities have higher species richness. Reduced species richness immediately downstream of dams is likely driven by alterations in flow regime that reduce or eliminate flows which sustain riparian wetlands that serve as anuran breeding habitat. Therefore, to maintain anuran biodiversity, we suggest that flow regulation should be managed to ensure water releases inundate riparian wetlands during amphibian breeding seasons and aseasonal releases, which can displace adults, larvae, and eggs, are avoided. These outcomes could be achieved by emulating pre‐dam seasonal discharge data, mirroring discharge of an undammed tributary within the focal watershed, or by basing real‐time flow releases on current environmental conditions.
The strength of negative plant–soil feedback increases from the intraspecific to the interspecific and the functional group level
Authors: Bukowski Alexandra R. , Schittko Conrad , Petermann Jana S. 
Published: January 2018

AbstractOne of the processes that may play a key role in plant species coexistence and ecosystem functioning is plant–soil feedback, the effect of plants on associated soil communities and the resulting feedback on plant performance. Plant–soil feedback at the interspecific level (comparing growth on own soil with growth on soil from different species) has been studied extensively, while plant–soil feedback at the intraspecific level (comparing growth on own soil with growth on soil from different accessions within a species) has only recently gained attention. Very few studies have investigated the direction and strength of feedback among different taxonomic levels, and initial results have been inconclusive, discussing phylogeny, and morphology as possible determinants. To test our hypotheses that the strength of negative feedback on plant performance increases with increasing taxonomic level and that this relationship is explained by morphological similarities, we conducted a greenhouse experiment using species assigned to three taxonomic levels (intraspecific, interspecific, and functional group level). We measured certain fitness‐related aboveground traits and used them along literature‐derived traits to determine the influence of morphological similarities on the strength and direction of the feedback. We found that the average strength of negative feedback increased from the intraspecific over the interspecific to the functional group level. However, individual accessions and species differed in the direction and strength of the feedback. None of our results could be explained by morphological dissimilarities or individual traits. Synthesis. Our results indicate that negative plant–soil feedback is stronger if the involved plants belong to more distantly related species. We conclude that the taxonomic level is an important factor in the maintenance of plant coexistence with plant–soil feedback as a potential stabilizing mechanism and should be addressed explicitly in coexistence research, while the traits considered here seem to play a minor role.
Preclinical characterization of three transient receptor potential vanilloid receptor 1 antagonists for early use in human intradermal microdose analgesic studies
Authors: Sjögren E. , Halldin M.M. , Stålberg O. , Sundgren‐Andersson A.K. 
Published: January 2018

AbstractBackgroundThe transient receptor potential vanilloid receptor 1 (TRPV1) is a nonselective cation channel involved in the mediation of peripheral pain to the central nervous system. As such, the TRPV1 is an accessible molecular target that lends itself well to the understanding of nociceptive signalling. This study encompasses preclinical investigations of three molecules with the prospect to establish them as suitable analgesic model compounds in human intradermal pain relief studies.MethodsThe inhibitory effectiveness was evaluated by means of in vitro assays, TRPV1 expressing Chinese hamster ovary cells (CHO‐K1) and rat dorsal root ganglion cultures in fluorescent imaging plate reader and whole cell patch clamp systems, as well as in vivo by capsaicin‐evoked pain‐related behavioural response studies in rat. Secondary pharmacology, pharmacokinetics and preclinical safety were also assessed.ResultsIn vitro, all three compounds were effective at inhibiting capsaicin‐activated TRPV1. The concentration producing 50% inhibition (IC50) determined was in the range of 3–32 nmol/L and 10–501 nmol/L using CHO‐K1 and dorsal root ganglion cultures, respectively. In vivo, all compounds showed dose‐dependent reduction in capsaicin‐evoked pain‐related behavioural responses in rat. None of the three compounds displayed any significant activity on any of the secondary targets tested. The compounds were also shown to be safe from a toxicological, drug metabolism and pharmacokinetic perspective, for usage in microgram doses in the human skin.ConclusionThe investigated model compounds displayed ideal compound characteristics as pharmacological and translational tools to address efficacy on the human native TRPV1 target in human skin in situ.SignificanceThis work details the pharmaceutical work‐up of three TRPV1‐active investigational compounds, to obtain regulatory approval, for subsequent use in humans. This fast and cost‐effective preclinical development path may impact research beyond the pain management area, as it allows human target engagement information gathering early in drug development.
A qualitative analysis of patient‐identified adaptive behaviour changes following interdisciplinary Acceptance and Commitment Therapy for chronic pain
Authors: Thompson M. , Vowles K.E. , Sowden G. , Ashworth J. , Levell J. 
Published: January 2018

AbstractBackgroundInterdisciplinary treatment programmes for chronic pain have strong evidence of treatment effect both immediately after treatment and at follow‐up. However, despite strong outcome evidence, it is less clear which specific changes in behaviour are most relevant to patients or to outcomes. Indeed, it is not unknown for clinicians and patients to have different views with regard to goals of treatment. This study sought to evaluate the patients’ perspective regarding important behavioural changes that occurred while they were enrolled in a 4‐week interdisciplinary programme of Acceptance and Commitment Therapy (ACT) for chronic pain.MethodsQualitative data were collected during a treatment session towards the end of treatment. In total, 104 completers from 16 consecutive treatment groups contributed to a data set consisting of 315 unique qualitative comments.ResultsThematic analysis resulted in a theme hierarchy including overarching themes, midlevel themes and subthemes. Three overarching themes were identified as follows: (1) interacting with self – describing an interplay between various aspects of the individual, (2) activity – concerning how individuals practically and sustainably undertook activities and (3) interacting with others – exploring relationships with other people. The results section further describes the midlevel and subthemes that cluster under the overarching themes.ConclusionsThese data provide initial insights into the patient's perspective of adaptive behavioural changes gained as part of an interdisciplinary programme of chronic pain rehabilitation. Overall, the data suggest the importance of a mix of both ACT‐specific and more universal coping/pain rehabilitation elements. Future research may examine how these processes relate more directly to treatment outcome.SignificanceThis study provides new qualitative insights into the patient's perspective of adaptive behavioural changes gained as part of interdisciplinary pain rehabilitation. This and future work may help provide a more detailed understanding of the processes and behaviours that result in successful rehabilitation outcomes.
Prussian Blue Modified Submicron Structured Gold Electrodes for Amperometric Hydrogen Peroxide Sensing
Authors: Lu Si‐Yuan , Chen Yihao , Fang Xufei , Feng Xue 
Published: January 2018

AbstractIn this work, we present a simple and effective approach for fabricating sub‐micron structured gold (SM−Au) electrodes by chemically etching the magnetron co‐sputtered gold film in KI solution for certain time. Such electrodes with a large surface area to volume ratio were used as the matrix for electrochemical deposition of Prussian blue (PB) to develop an electrochemical hydrogen peroxide sensor. Experimental characterization using scanning electron microscope and atomic force microscope shows that the thickness of PB layer on SM−Au electrode is around 140 nm, and is composited with cubic PB nanocrystals. The electrochemical performance of the designed sensor, studied using cyclic voltammograms and chronoamperometry methods, suggests that the sensor based on SM−Au/PB electrode presents the direct electron transfer of PB particle towards SM−Au film, and exhibits fast response, wide linearity, low detection limit and high stability. Under the optimized conditions, the sensitivity of the developed sensor for the detection of H2O2 reaches the value of 512 mA cm−2 M−1 with a linear range from 1 μM to 4.5 mM.
Ancient genomic variation underlies repeated ecological adaptation in young stickleback populations
Authors: Nelson Thomas C. , Cresko William A. 
Published: January 2018

AbstractAdaptation in the wild often involves standing genetic variation (SGV), which allows rapid responses to selection on ecological timescales. However, we still know little about how the evolutionary histories and genomic distributions of SGV influence local adaptation in natural populations. Here, we address this knowledge gap using the threespine stickleback fish (Gasterosteus aculeatus) as a model. We extend restriction site-associated DNA sequencing (RAD-seq) to produce phased haplotypes approaching 700 base pairs (bp) in length at each of over 50,000 loci across the stickleback genome. Parallel adaptation in two geographically isolated freshwater pond populations consistently involved fixation of haplotypes that are identical-by-descent. In these same genomic regions, sequence divergence between marine and freshwater stickleback, as measured by dXY, reaches tenfold higher than background levels and genomic variation is structured into distinct marine and freshwater haplogroups. By combining this dataset with a de novo genome assembly of a related species, the ninespine stickleback (Pungitius pungitius), we find that this habitat-associated divergent variation averages six million years old, nearly twice the genome-wide average. The genomic variation that is involved in recent and rapid local adaptation in stickleback has therefore been evolving throughout the 15-million-year history since the two species lineages split. This long history of genomic divergence has maintained large genomic regions of ancient ancestry that include multiple chromosomal inversions and extensive linked variation. These discoveries of ancient genetic variation spread broadly across the genome in stickleback demonstrate how selection on ecological timescales is a result of genome evolution over geological timescales, and vice versa.
Genomic associations with bill length and disease reveal drift and selection across island bird populations
Authors: Armstrong Claire , Richardson David S. , Hipperson Helen , Horsburgh Gavin J. , Küpper Clemens , Percival-Alwyn Lawrence , Clark Matt , Burke Terry , Spurgin Lewis G. 
Published: January 2018

AbstractIsland species provide excellent models for investigating how selection and drift operate in wild populations, and for determining how these processes act to influence local adaptation and speciation. Here, we examine the role of selection and drift in shaping genomic and phenotypic variation across recently separated populations of Berthelot's pipit (Anthus berthelotii), a passerine bird endemic to three archipelagos in the Atlantic. We first characterized genetic diversity and population structuring that supported previous inferences of a history of recent colonizations and bottlenecks. We then tested for regions of the genome associated with the ecologically important traits of bill length and malaria infection, both of which vary substantially across populations in this species. We identified a SNP associated with variation in bill length among individuals, islands, and archipelagos; patterns of variation at this SNP suggest that both phenotypic and genotypic variation in bill length is largely shaped by founder effects. Malaria was associated with SNPs near/within genes involved in the immune response, but this relationship was not consistent among archipelagos, supporting the view that disease resistance is complex and rapidly evolving. Although we found little evidence for divergent selection at candidate loci for bill length and malaria resistance, genome scan analyses pointed to several genes related to immunity and metabolism as having important roles in divergence and adaptation. Our findings highlight the utility and challenges involved with combining association mapping and population genetic analysis in nonequilibrium populations, to disentangle the effects of drift and selection on shaping genotypes and phenotypes.
The Central Canyon depositional patterns and filling process in east of Lingshui Depression, Qiongdongnan Basin, northern South China Sea
Authors: Wu Wei , Li Quan , Yu Jing , Lin Changsong , Li Dan , Yang Ting 
Published: January 2018

Central canyons are considered to be important conduits for the transfer of sediment to the abyssal plains. High‐resolution 3D seismic data and logging data from the east of Lingshui Depression are used to investigate the depositional elements, patterns, and filling processes of central canyon in the Qiongdongnan Basin, northern South China Sea. The Central Canyon in this segment is 30 km wide and more than 1,000 m deep. It was found to be characterized by being subparallel to the continental shelf. In this study, 6 types of deep‐water gravity flow depositional elements were identified, including erosion surfaces, basal lags, turbidite channel complexes, mass transport deposits, lobe complex, and pelagic deposits. Each type of these depositional elements was found to have distinct external features, internal structures, and lateral characteristics in the seismic profiles. Meanwhile, these different assemblages of depositional elements could be composed of 5 depositional units. And in a vertical direction, the evolutionary history could be divided into 5 stages as follows: (a) a repeated cut and fill stage; (b) high net‐to‐gross channel complex dominated stage; (c) low high net‐to‐gross channel and pelagic shale dominated stage; (d) lobe complex deposition stage; and (e) mass transport deposit dominated stage. During Stage 3, the development of small‐scale turbidite channels is the indicators of northern sediment supply. During Stage 4, 7 lobes have been identified in the lobe complexes. The evolution and depositional processes in the study area were most likely controlled by the negative relief induced by the palaeo‐seafloor morphology, as well as the structural inversions of the Red River Fault and the basement faults. Additionally, the sediment supply, sea‐level fluctuations, and tectonic activities also controlled and influenced the depositional processes, along with the internal architecture of the canyon.The results of this study have potentially important implications for the improved understanding the vertical evolution of submarine canyons and also shed a new light on the reservoir potential of the Lingshui section of the Central Canyon.
Development and validation of a clinically applicable score to classify cachexia stages in advanced cancer patients
Authors: Zhou Ting , Wang Bangyan , Liu Huiquan , Yang Kaixiang , Thapa Sudip , Zhang Haowen , Li Lu , Yu Shiying 
Published: January 2018

AbstractBackgroundCachexia is a multifactorial syndrome that is highly prevalent in advanced cancer patients and leads to progressive functional impairments. The classification of cachexia stages is essential for diagnosing and treating cachexia. However, there is a lack of simple tools with good discrimination for classifying cachexia stages. Therefore, our study aimed to develop a clinically applicable cachexia staging score (CSS) and validate its discrimination of clinical outcomes for different cachexia stages.MethodsAdvanced cancer patients were enrolled in our study. A CSS comprising the following five components was developed: weight loss, a simple questionnaire of sarcopenia (SARC‐F), Eastern Cooperative Oncology Group, appetite loss, and abnormal biochemistry. According to the CSS, patients were classified into non‐cachexia, pre‐cachexia, cachexia, and refractory cachexia stages, and clinical outcomes were compared among the four groups.ResultsOf the 297 participating patients, data from 259 patients were ultimately included. Based on the CSS, patients were classified into non‐cachexia (n = 69), pre‐cachexia (n = 68), cachexia (n = 103), and refractory cachexia (n = 19) stages. Patients with more severe cachexia stages had lower skeletal muscle indexes (P = 0.002 and P = 0.004 in male and female patients, respectively), higher prevalence of sarcopenia (P = 0.017 and P = 0.027 in male and female patients, respectively), more severe symptom burden (P < 0.001), poorer quality of life (P < 0.001 for all subscales except social well‐being), and shorter survival times (P < 0.001).ConclusionsThe CSS is a simple and clinically applicable tool with excellent discrimination for classifying cachexia stages. This score is extremely useful for the clinical treatment and prognosis of cachexia and for designing clinical trials.