bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interannual variability in the summer dissolved organic matter inventory of the North Sea: implications for the continental shelf pump
Authors: Chaichana Saisiri , Jickells Tim , Johnson Martin 
Published: March 2019

Abstract. We present the distribution and C:N stoichiometry of
dissolved organic matter (DOM) in the North Sea in two summers (August 2011 and
August 2012), with supporting data from the intervening winter (January 2012). These data
demonstrate local variability superimposed on a general pattern of decreasing DOM with
increasing distance from land, suggesting concentrations of DOM are controlled on large
spatial scales by mixing between the open North Atlantic and either riverine sources or
high DOM productivity in nearshore coastal waters driven by riverine nutrient discharge.
Given the large size and long residence time of water in the North Sea, we find
concentrations are commonly modified from simple conservative mixing between two
endmembers. We observe differences in dissolved organic carbon (DOC) and dissolved
organic nitrogen (DON) concentrations and land–ocean gradients between the two summers,
leading to an estimated 10–20 Tg difference in the DOC inventory between the two years,
which is of the same order of magnitude as the annual uptake of atmospheric CO2
by the North Sea system, and thus significant for the carbon budget of the North Sea.
This difference is not consistent with additional terrestrial loading and is more likely
to be due to balancing of mixing and in situ production and loss processes across the
North Sea. Differences were particularly pronounced in the bottom layer of the seasonally
stratifying northern North Sea, with higher DOC and C:N ratio in 2011 than in
2012. Using other data, we consider the extent to which these differences in the
concentrations and C:N ratio of DOM could be due to changes in the biogeochemistry
or physical circulation in the two years, or a combination of both. The evidence we have
is consistent with a flushing event in winter 2011/12 exchanging DOM-rich, high
C:N shelf waters, which may have accumulated over more than 1 year, with deep
North Atlantic waters with lower DOC and marginally higher DON. We discuss the
implications of these observations for the shelf sea carbon pump and the export of
carbon-rich organic matter off the shelf and hypothesise that intermittent flushing of
temperate shelf systems may be a key mechanism in the maintenance of the continental
shelf pump, via the accumulation and subsequent export of carbon-rich DOM.
Technical note: Laboratory modelling of urban flooding: strengths and challenges of distorted scale models
Authors: Li Xuefang , Erpicum Sébastien , Bruwier Martin , Mignot Emmanuel , Finaud-Guyot Pascal , Archambeau Pierre , Pirotton Michel , Dewals Benjamin 
Published: March 2019

Abstract. Laboratory experiments are a viable approach for improving
process understanding and generating data for the validation of computational
models. However, laboratory-scale models of urban flooding in street networks
are often distorted, i.e. different scale factors are used in the horizontal
and vertical directions. This may result in artefacts when transposing the
laboratory observations to the prototype scale (e.g. alteration of secondary
currents or of the relative importance of frictional resistance). The
magnitude of such artefacts was not studied in the past for the specific case
of urban flooding. Here, we present a preliminary assessment of these
artefacts based on the reanalysis of two recent experimental datasets related
to flooding of a group of buildings and of an entire urban district,
respectively. The results reveal that, in the tested configurations, the
influence of model distortion on the upscaled values of water depths and
discharges are both of the order of 10 %. This research contributes to
the advancement of our knowledge of small-scale physical processes involved in urban
flooding, which are either explicitly modelled or parametrized in urban
hydrology models.
Integrated bioinformatics analysis of As, Au, Cd, Pb and Cu heavy metal responsive marker genes through Arabidopsis thaliana GEO datasets
Authors: Niu Chao , Jiang Min , Li Na , Cao Jianguo , Hou Meifang , Ni Di-an , Chu Zhaoqing 
Published: March 2019

Background
Current environmental pollution factors, particularly the distribution and diffusion of heavy metals in soil and water, are a high risk to local environments and humans. Despite striking advances in methods to detect contaminants by a variety of chemical and physical solutions, these methods have inherent limitations such as small dimensions and very low coverage. Therefore, identifying novel contaminant biomarkers are urgently needed.

Methods
To better track heavy metal contaminations in soil and water, integrated bioinformatics analysis to identify biomarkers of relevant heavy metal, such as As, Cd, Pb and Cu, is a suitable method for long-term and large-scale surveys of such heavy metal pollutants. Subsequently, the accuracy and stability of the results screened were experimentally validated by quantitative PCR experiment.

Results
We obtained 168 differentially expressed genes (DEGs) which contained 59 up-regulated genes and 109 down-regulated genes through comparative bioinformatics analyses. Subsequently, the gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichments of these DEGs were performed, respectively. GO analyses found that these DEGs were mainly related to responses to chemicals, responses to stimulus, responses to stress, responses to abiotic stimulus, and so on. KEGG pathway analyses of DEGs were mainly involved in the protein degradation process and other biologic process, such as the phenylpropanoid biosynthesis pathways and nitrogen metabolism. Moreover, we also speculated that nine candidate core biomarker genes (namely, NILR1, PGPS1, WRKY33, BCS1, AR781, CYP81D8, NR1, EAP1 and MYB15) might be tightly correlated with the response or transport of heavy metals. Finally, experimental results displayed that these genes had the same expression trend response to different stresses as mentioned above (Cd, Pb and Cu) and no mentioned above (Zn and Cr).

Conclusion
In general, the identified biomarker genes could help us understand the potential molecular mechanisms or signaling pathways responsive to heavy metal stress in plants, and could be applied as marker genes to track heavy metal pollution in soil and water through detecting their expression in plants growing in those environments.
Demographic and Clinical Profile of Patients Receiving Electroconvulsive Therapy at Federal Neuropsychiatric Hospital Yaba in Lagos, Nigeria
Authors: Usman Dada Mobolaji , Olubunmi Okewole Adeniran , Lukman Raji Ayanjide 
Published: March 2019

Aims: To obtain sociodemographic and clinical profile of patients receiving Electroconvulsive therapy in a Nigerian psychiatric hospital.
Study Design: A retrospective study.
Place and duration: The study was carried out at the Federal Neuropsychiatric Hospital Yaba, Lagos, Nigeria over a period of 3 months.
Methodology: An extensive review of the hospital records of patients receiving the modified form of electroconvulsive therapy for the first time over a period of eight years was done. The demographic information, clinical diagnosis and indication for electroconvulsive therapy were retrieved and analysis was done using SPSS 19.
Results: There were a total of 222 cases, ranging from 45 in 2000 to 21 in 2007. Mean age was 31.7 ± 9.65. Male: female ratio was 1:2. Almost 60% of them were single and unemployed. Clinical diagnosis using ICD 10 ranged from schizophrenia (44.8%), severe depression (27.8%), bipolar disorder (15.5%) to puerperal psychosis (8.2%). Indications for electroconvulsive therapy included psychosis (41.6%), severe depressive episode (25.8%), catatonia (23.7%) and manic episode (7.4%).
Conclusion: This study has shown that the use of ECT has declined in the facility over the study periods. Also, females were twice as likely to receive electroconvulsive therapy compared to males and schizophrenia still remains the most common diagnosis among the patients.
Livelihood Vulnerability of Fishery-based Communities in Context of Climate Change: Insights From and Around Selective Fishing Grounds of South 24 Parganas, West Bengal
Authors: Sinha Aparupa , Das Anupam 
Published: March 2019

The 4th Assessment Reports prepared by the Intergovernmental Panel on Climate Change (IPCC) in 2007 reported serious concerns which directly affect the livelihoods of millions of coastal habitants and fishing communities. This study mainly concentrates on the awareness regarding the climate variability and vulnerability exposed by climate change on the marine fishing communities based on their Socio-Demographic Profile, Livelihood strategies, Social Networks, Health, Water, Natural disasters and Climate Variability and Knowledge and Skills; which are divided into three main components of vulnerability (IPCC): Exposure, Sensitivity and Adaptive Capacity. Here, we have chosen the three major functioning fishing harbours of this district are Lakshmipur Abad of Namkhana, Kalinagar of Kakdwip and Sultanpur of Diamond Harbour with their respective fish landing centers. The primary data used is based on a purposive sampling survey of 150 household of fishing communities and the secondary data about recent climate variability and extreme events was collected from official records. This study used the participatory tools and methods in order to generate qualitative and quantitative information about climate change impacts and community based adaptation strategies to climate change.
The study reveals that the most important climate-related elements of exposure are the storms and cyclones. We have also found that studied villages are highly populated and competing for limited resources, furthermore lack of economic opportunities like agriculture in coastal areas making these communities already vulnerable along within higher sensitivity and lower adaptive capacity combine to create higher vulnerability.
Synthesis of 3,4‐Dihydrobenzo[f]phthalazines via Iodine/tert‐Butyl Hydroperoxide‐Mediated Annulation Cascade of Yne‐Allenones
Authors: Fu Rong , Li Meng‐Fan , Zhou Peng , Hao Wen‐Juan , Tu Shu‐Jiang , Jiang Bo 
Published: March 2019

AbstractAn iodine (I2)/tert‐butyl hydroperoxide (TBHP)‐mediated annulation cascade between yne‐allenones and sulfonyl hydrazides has been established, in which a wide set of dihydrobenzo[f]phthalazines were synthesized through one‐pot, two‐step strategy under metal‐free conditions. The synthetic utility of these transformations leads to subsequent C−C and C−N bond‐forming reactions to effectively build up functional aza‐heterocycle with potential significance.magnified image
Molecular Dynamics of Open Systems: Construction of a Mean‐Field Particle Reservoir
Authors: Delle Site Luigi , Krekeler Christian , Whittaker John , Agarwal Animesh , Klein Rupert , Höfling Felix 
Published: March 2019

AbstractThe simulation of open molecular systems requires explicit or implicit reservoirs of energy and particles. Whereas full atomistic resolution is desired in the region of interest, there is some freedom in the implementation of the reservoirs. Here, a combined, explicit reservoir is constructed by interfacing the atomistic region with regions of point‐like, non‐interacting particles (tracers) embedded in a thermodynamic mean field. The tracer molecules acquire atomistic resolution upon entering the atomistic region and equilibrate with this environment, while atomistic molecules become tracers governed by an effective mean‐field potential after crossing the atomistic boundary. The approach is extensively tested on thermodynamic, structural, and dynamic properties of liquid water. Conceptual and numerical advantages of the procedure as well as new perspectives are highlighted and discussed.
Extensive allopolyploidy in the neotropical genus Lachemilla (Rosaceae) revealed by PCR‐based target enrichment of the nuclear ribosomal DNA cistron and plastid phylogenomics
Authors: Morales‐Briones Diego F. , Tank David C. 
Published: March 2019

Premise of the StudyPolyploidy has been long recognized as an important force in plant evolution. Previous studies had suggested widespread occurrence of polyploidy and the allopolyploid origin of several species in the diverse neotropical genus Lachemilla (Rosaceae). Nonetheless, this evidence has relied mostly on patterns of cytonuclear discordance, and direct evidence from nuclear allelic markers is still needed.MethodsHere we used PCR target enrichment in combination with high throughput sequencing to obtain multiple copies of the nuclear ribosomal (nr) DNA cistron and 45 regions of the plastid genome (cpDNA) from 219 accessions representing 48 species of Lachemilla and to explore the allopolyploid origin of species in this group.Key ResultsWe were able to identify multiple nrDNA ribotypes and establish clear evidence of allopolyploidy in 33 species of Lachemilla, showing that this condition is common and widespread in the genus. Additionally, we found evidence for three autopolyploid species. We also established multiple, independent origins of several allopolyploid species. Finally, based solely on the cpDNA phylogeny, we identified that the monotypic genus Farinopsis is the sister group of Lachemilla and allied genera within subtribe Fragariinae.ConclusionsOur study demonstrates the utility of the nuclear ribosomal DNA cistron to detect allopolyploidy when concerted evolution of this region is not complete. Additionally, with a robust chloroplast phylogeny in place, the direction of hybridization events can be established, and multiple, independent origins of allopolyploid species can be identified.
A Ten‐Step Total Synthesis of Speradine C
Authors: Liu Haichao , Chen Lijun , Yuan Kuo , Jia Yanxing 
Published: March 2019

AbstractThe first total synthesis of speradine C has been achieved in only ten steps from a commercially available 4‐bromoindole. Salient features of the work are the formation of four rings through three cyclizations, namely a bioinspired [3+2] annulation to form the C/D rings, an NCS‐mediated oxidation to construct the E ring, and a Ru‐catalyzed ketohydroxylation to assemble the F ring. This work highlights how strategic ring constructions can streamline the synthesis of polycyclic compounds.
N‐heterocyclic carbene–palladium(II) complex supported on magnetic mesoporous silica for Heck cross‐coupling reaction
Authors: Nuri Ayat , Mansoori Yagoub , Bezaatpour Abolfazl 
Published: March 2019

Magnetic mesoporous silica was prepared via embedding magnetite nanoparticles between channels of mesoporous silica (SBA‐15). The prepared composite (Fe3O4@SiO2‐SBA) was then reacted with 3‐chloropropyltriethoxysilane, sodium imidazolide and 2‐bromopyridine to give 3‐(pyridin‐2‐yl)‐1H‐imidazol‐3‐iumpropyl‐functionalized Fe3O4@SiO2‐SBA as a supported pincer ligand for Pd(II). The functionalized magnetic mesoporous silica was further reacted with [PdCl2(SMe2)2] to produce a supported N‐heterocyclic carbene–Pd(II) complex. The obtained catalyst was characterized using Fourier transform infrared spectroscopy, scanning electron microscopy, energy‐dispersive X‐ray analysis, vibrating sample magnetometry, Brunauer–Emmett–Teller surface area measurement and X‐ray diffraction. The amount of the loaded complex was 80.3 mg g−1, as calculated through thermogravimetric analysis. The formation of the ordered mesoporous structure of SBA‐15 was confirmed using low‐angle X‐ray diffraction and transmission electron microscopy. Also, X‐ray photoelectron spectroscopy confirmed the presence of the Pd(II) complex on the magnetic support. The prepared magnetic catalyst was then effectively used in the coupling reaction of olefins with aryl halides, i.e. the Heck reaction, in the presence of a base. The reaction parameters, such as solvent, base, temperature, amount of catalyst and reactant ratio, were optimized by choosing the coupling reaction of 1‐bromonaphthalene and styrene as a model Heck reaction. N‐Methylpyrrolidone as solvent, 0.25 mol% catalyst, K2CO3 as base, reaction temperature of 120°C and ultrasonication of the catalyst for 10 min before use provided the best conditions for the Heck cross‐coupling reaction. The best results were observed for aryl bromides and iodides while aryl chlorides were found to be less reactive. The catalyst exhibited noticeable stability and reusability.
Preparation of a superparamagnetic nanocomposite hydrogel for adsorptive performance in the wastewater treatment
Authors: Maciel Diana J. , da Silva Manoel R. , Ferreira Ivana L. M. 
Published: March 2019

ABSTRACTMagnetic nanocomposite hydrogels based on carrageenan (kappa:iota = 1:1) and maghemite (γ‐Fe2O3) are prepared. Scanning electron microscopyimages show that the γ‐Fe2O3 is dispersed on the surface of the hydrogels and transmission electron microscopy images show that maghemite particles are in nanometric size. The hydrogels present superparamagnetic behavior and respond to the stimulus of a magnet. The samples crosslinked with KCl are classified as superabsorbent materials (swelling degree >700%) and they show a higher saturation magnetization value than those crosslinked with CaCl2. Vibrating sample magnetometry curves show that the hydrogels do not present a hysteresis cycle and the remanent magnetization in all the samples is near zero. The performance of the hydrogels is evaluated for adsorption of heavy metals from aqueous solutions. The samples are immersed in aqueous solutions containing Cd(II) and Pb(II) ions. After 150 min of immersion, the hydrogels remove about 40% and 30% of each heavy metal contaminant, respectively. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47705.
Exploring the Lipid Paradox Theory in Rheumatoid Arthritis: Associations of Low Circulating Low‐Density Lipoprotein Concentration With Subclinical Coronary Atherosclerosis
Authors: Giles Jon T. , Wasko Mary Chester M. , Chung Cecilia P. , Szklo Moyses , Blumenthal Roger S. , Kao Amy , Bokhari Sabahat , Zartoshti Afshin , Stein C. Michael , Bathon Joan M. 
Published: March 2019

ObjectiveRheumatoid arthritis (RA) patients with the lowest circulating low‐density lipoprotein (LDL) concentrations are at heightened risk of cardiovascular events. However, the atherosclerosis burden within this subgroup is unknown.MethodsRA patients pooled from 4 cohort studies of cardiovascular disease (CVD; n = 546) were compared with non‐RA controls from the Multi‐Ethnic Study of Atherosclerosis (n = 5,279). Those taking lipid‐lowering medications were excluded. Differences in cardiac computed tomography–derived Agatston coronary artery calcium (CAC) scores between the RA and control groups were compared across strata of LDL concentration.ResultsAmong those with low LDL concentrations (<70 mg/dl), mean adjusted CAC scores were >4‐fold higher for RA patients than for controls (18.6 versus 4.6 Agatston units, respectively; P < 0.001), a difference significantly greater than that in any other LDL concentration stratum except LDL concentration ≥160 mg/dl. Similarly, 32% of the RA patients with low LDL concentration had a CAC score of ≥100 Agatston units compared with only 7% of controls in the same LDL concentration stratum (odds ratio 5.97; P < 0.001), a difference significantly greater than that in all of the other LDL concentration strata. Low LDL concentration was most strongly associated with higher CAC score among RA patients who were white, had ever smoked, or were not obese. Other than a higher frequency of current smokers, RA patients with low LDL concentrations did not have more CVD risk factors or higher measures of RA disease activity or severity than RA patients with higher LDL concentrations.ConclusionRA patients with low LDL concentration may represent a group for whom heightened screening and prevention of atherosclerotic CVD is appropriate.
Modell zur Beschreibung der zeitabhängigen Rissbreitenentwicklung in Stahlbetonbauteilen
Authors: Empelmann Martin , Cramer Jonas 
Published: March 2019

AbstractDie Begrenzung der Rissbreite ist eine wesentliche Bemessungsaufgabe bei Stahlbetonkonstruktionen, um Gebrauchstauglichkeit und Dauerhaftigkeit zu gewährleisten. Unter Langzeitbeanspruchungen vergrößern sich die Rissbreiten durch das zeitabhängige Materialverhalten von Beton. Aufgrund der Überlagerung der unterschiedlichen Effekte (Verbundkriechen, Betonkriechen und Betonschwinden) sind konsistente und mechanisch basierte Untersuchungen für eine zuverlässige Vorhersage der Rissbreiten unerlässlich. Zu diesem Zweck wurde ein rheologisches Modell entwickelt. Das Modell wurde anhand von Versuchsergebnissen unter Langzeitbelastung validiert und zeigt eine sehr gute Übereinstimmung zwischen den zeitabhängigen rechnerischen und experimentellen Rissbreiten.
Investigation of cathepsin D–mAb interactions using a combined experimental and computational tool set
Authors: Ranjan Swarnim , Chung Wai Keen , Hofele Romina , Heidbrink Thompson Jenny , Bee Jared , Zhang Limin , Robbins David , Cramer Steven M. 
Published: March 2019

AbstractCathepsin D has been identified as a challenge to remove in downstream bioprocessing of monoclonal antibodies (mAbs) due to interactions with some mAbs. This study focused on investigating the mechanisms of interaction between cathepsin D and two industrial mAbs using a combined experimental and computational approach. Surface plasmon resonance was used to study the impact of pH and salt concentration on these protein–protein interactions. While salt had a moderate effect on the interactions with one of the mAbs, the other mAb demonstrated highly salt‐dependent association behavior. Cathepsin D binding to the mAbs was also seen to be highly pH dependent, with operation at pH 9 resulting in a significant decrease in the binding affinity. Protein–protein docking simulations identified three interaction sites on both mAbs; near the complementarity determining region (CDR), in the hinge, and in the CH3 domain. In contrast, only one face of cathepsin D was identified to interact with all the three sites on the mAbs. Surface property analysis revealed that the binding regions on the mAbs contained strong hydrophobic clusters and were predominantly negatively charged. In contrast, the binding site on cathepsin D was determined to be highly positively charged and hydrophobic, indicating that these protein–protein interactions were likely due to a combination of hydrophobic and electrostatic interactions. Finally, covalent crosslinking coupled with mass spectrometry was used to validate the docking predictions and to further investigate the regions of interaction involved in mAb–cathepsin D binding. A strong agreement was observed between the two approaches, and the CDR loops were identified to be important for cathepsin D interactions. This study establishes a combined experimental and computational platform that can be used to probe mAb–host cell protein (HCP) interactions of importance in biomanufacturing.