bluuebunny/crossref_metadata_2025 huggingface dataset:
Establishment of Gene Copy Number–Specific Normal Ranges for Serum C4 and Its Utility for Interpretation in Patients With Chronically Low Serum C4 Concentrations
Authors: Margery‐Muir Audrey A. , Wetherall John D. , Castley Alison S. L. , Hew Meilyn , Whidborne Rebecca S. , Mallon Dominic F. J. , Martinez Patricia , Witt Campbell S.
Published: April 2014

Objective

To establish gene copy number (GCN)–specific normal ranges for serum C4 genes and to determine their utility with respect to the interpretation of chronically low serum C4 concentrations in patients with clinically quiescent systemic lupus erythematosus (SLE).

Methods

C4 serum concentrations were estimated by automated turbidimetry, and C4 GCNs were determined using the TaqMan real‐time polymerase chain reaction (PCR) analysis in 184 unselected individuals and in 10 patients with type 1 diabetes mellitus (DM) who were selected for the presence of only 2 copies of the C4 gene. C4 GCNs were also determined in 11 patients with clinically quiescent SLE who had chronically low serum C4 concentrations.

Results

A total of 33% of the variation in serum C4 concentrations could be accounted for by both C4A and C4B GCNs (R2 = 0.30, P ≤ 0.0001). There was a median of 2 gene copies at the C4A locus (53.8%) and 2 at the C4B locus (58.7%). The median total number of C4 genes was 4 (55.4%). C4 GCN‐specific normal ranges were established. A chronically low serum C4 concentration was explained by a low C4 GCN in 3 of 11 patients tested.

Conclusion

This study establishes the feasibility of establishing C4 GCN‐specific normal ranges using the TaqMan real‐time PCR assay. Chronically low serum C4 concentrations in SLE patients are sometimes explained by low C4 GCNs.
Community, tools, and practices in web archiving: The state‐of‐the‐art in relation to social science and humanities research needs
Authors: Dougherty Meghan , Meyer Eric T.
Published: April 2014

The web encourages the constant creation and distribution of large amounts of information; it is also a valuable resource for understanding human behavior and communication. To take full advantage of the web as a research resource that extends beyond the consideration of snapshots of the present, however, it is necessary to begin to take web archiving much more seriously as an important element of any research program involving web resources. The ephemeral character of the web requires that researchers take proactive steps in the present to enable future analysis. Efforts to archive the web or portions thereof have been developed around the world, but these efforts have not yet provided reliable and scalable solutions. This article summarizes the current state of web archiving in relation to researchers and research needs. Interviews with researchers, archivists, and technologists identify the differences in purpose, scope, and scale of current web archiving practice, and the professional tensions that arise given these differences. Findings outline the challenges that still face researchers who wish to engage seriously with web content as an object of research, and archivists who must strike a balance reflecting a range of user needs.
PdO/TiO2 and Pd/TiO2 Heterostructured Nanobelts with Enhanced Photocatalytic Activity
Authors: Zhou Weijia , Guan Yu , Wang Dongzhou , Zhang Xinhai , Liu Duo , Jiang Huaidong , Wang Jiyang , Liu Xiaogang , Liu Hong , Chen Shaowei
Published: April 2014

Heterostructures play an important role not only in the manufacture of semiconductor devices, but also in the field of catalysis. Herein, we report the synthesis of PdO/TiO2 and Pd/TiO2 heterostructured nanobelts by means of a simple co‐precipitation method, followed by a reduction process using surface‐modified TiO2 nanobelts as templates. The as‐obtained heterostructures were characterized by transmission electron microscopy, X‐ray photoelectron spectroscopy, and UV/Vis diffuse reflectance spectroscopy. PdO and Pd nanoparticles with a size of about 1.3 and 1.6 nm were assembled uniformly on the surface of TiO2 nanobelts, respectively. Compared with TiO2 nanobelts, PdO/TiO2 and Pd/TiO2 hybrid nanobelts exhibit enhanced photocatalytic activity upon UV and visible‐light irradiation. Photoelectrochemical technology was used to study the heterostructure effect on enhanced photocatalytic activity. Our mechanistic investigation revealed that energy‐band matching is the major factor in the observed enhancement of photocatalytic activity.
From promotion to management: The wide impact of bacteria on cancer and its treatment
Authors: Perez‐Chanona Ernesto , Jobin Christian
Published: April 2014

In humans, the intestine is the major reservoir of microbes. Although the intestinal microbial community exists in a state of homeostasis called eubiosis, environmental and genetics factors can lead to microbial perturbation or dysbiosis, a state associated with various pathologies including inflammatory bowel diseases (IBD) and colorectal cancer (CRC). Dysbiotic microbiota is thought to contribute to the initiation and progression of CRC. At the opposite end of the spectrum, two recently published studies inSciencereveal that the microbiota is essential for chemotherapeutic drug efficacy, suggesting a beneficial microbial function in cancer management. The dichotomy between the beneficial and detrimental roles of the microbiota during cancer initiation, progression, and treatment emphasize the interwoven relationship between bacteria and cancer. Moreover, these findings suggest that the microbiota could be considered as a therapeutic target, not only at the level of cancer prevention, but also during management, i.e. by enhancing the efficacy of chemotherapeutics.
Potassium permanganate–acridine yellow chemiluminescence system for the determination of fluvoxamine, isoniazid and ceftriaxone
Authors: Abolhasani Jafar , Hassanzadeh Javad
Published: April 2014

Based on the oxidation of acridine yellow by permanganate in basic medium, a new chemiluminescence system was developed for the sensitive determination of some important drugs. The remarkable inhibiting effect of fluvoxamine, ceftriaxone and isoniazid on this reaction was applied to their detection. A possible mechanism was proposed for this system based on chemiluminescence emission wavelengths and experimental observations. Under optimum conditions, calibration graphs were obtained for 1 × 10−9 to 1 × 10−6 mol/L of fluvoxamine; 2 × 10−8 to 8 × 10−6 mol/L of ceftriaxone and 5 × 10−8 to 4 × 10−5 mol/L of isoniazid. This proposed method was satisfactorily used in the determination of these drugs in pharmaceutical samples and human urine and serum. Copyright © 2014 John Wiley & Sons, Ltd.
Biologically synthesized silver nanoparticles induce neuronal differentiation of SH‐SY5Y cells via modulation of reactive oxygen species, phosphatases, and kinase signaling pathways
Authors: Dayem Ahmed Abdal , Kim BongWoo , Gurunathan Sangiliyandi , Choi Hye Yeon , Yang Gwangmo , Saha Subbroto Kumar , Han Dawoon , Han Jihae , Kim Kyeongseok , Kim Jin‐Hoi , Cho Ssang‐Goo
Published: April 2014

Nano‐scale materials are noted for unique properties, distinct from those of their bulk material equivalents. In this study, we prepared spherical silver nanoparticles (AgNPs) with an average size of about 30 nm and tested their potency to induce neuronal differentiation of SH‐SY5Y cells. Human neuroblastoma SH‐SY5Y cells are considered an ideal in vitro model for studying neurogenesis, as they can be maintained in an undifferentiated state or be induced to differentiate into neuron‐like phenotypes in vitro by several differentiation‐inducing agents. Treatment of SH‐SY5Y cells by biologically synthesized AgNPs led to cell morphological changes and significant increase in neurite length and enhanced the expression of neuronal differentiation markers such as Map‐2, β‐tubulin III, synaptophysin, neurogenin‐1, Gap‐43, and Drd‐2. Furthermore, we observed an increase in generation of intracellular reactive oxygen species (ROS), activation of several kinases such as ERK and AKT, and downregulation of expression of dual‐specificity phosphatases (DUSPs) in AgNPs‐exposed SH‐SY5Y cells. Our results suggest that AgNPs modulate the intracellular signaling pathways, leading to neuronal differentiation, and could be applied as promising nanomaterials for stem cell research and therapy.

same article under 10.1002/biot.201300555.
Effect of regional cooperation on outcomes from ruptured abdominal aortic aneurysm
Authors: van Beek S C , Reimerink J J , Vahl A C , Wisselink W , Reekers J A , van Geloven N , Legemate D A , Balm R
Published: April 2014

Background

Care for patients with a ruptured abdominal aortic aneurysm (rAAA) in the Amsterdam ambulance region (The Netherlands) was concentrated into vascular centres with a 24-h full emergency vascular service in cooperation with seven referring regional hospitals. Previous population-based survival after rAAA in the Netherlands was 46 (95 per cent confidence interval (c.i.) 43 to 49) per cent. It was hypothesized that regional cooperation would improve survival.

Methods

This was a prospective observational cohort study carried out simultaneously with the Amsterdam Acute Aneurysm Trial. Consecutive patients with an rAAA between 2004 and 2011 in all ten hospitals in the Amsterdam region were included. The primary outcome was 30-day survival after admission. Multivariable logistic regression, including age, sex, co-morbidity, intervention (endovascular or open repair), preoperative systolic blood pressure, cardiopulmonary resuscitation and year of intervention, was used to assess the influence of hospital setting on survival.

Results

Of 453 patients with rAAA from the Amsterdam ambulance region, 61 did not undergo intervention; 352 patients were treated surgically at a vascular centre and 40 at a referring hospital. The regional survival rate was 58·5 (95 per cent c.i. 53·9 to 62·9) per cent (265 of 453). After multivariable adjustment, patients treated at a vascular centre had a higher survival rate than patients treated surgically at a referring hospital (adjusted odds ratio 3·18, 95 per cent c.i. 1·43 to 7·04).

Conclusion

After regional cooperation, overall survival of patients with an rAAA improved. Most patients were treated in a vascular centre and in these patients survival rates were optimal.
An improved LC‐MS/MS method for quantitation of indapamide in whole blood: application for a bioequivalence study
Authors: Pinto Guilherme Araújo , Pastre Kátia Isabel Fercondini , Bellorio Karini Bruno , de Souza Teixeira Leonardo , de Souza Weidson Carlo , de Abreu Fernanda Crunivel , de Santana e Silva Cardoso Fabiana Fernandes , Pianetti Gerson Antônio , César Isabela Costa
Published: April 2014

An improved LC‐MS/MS method for the quantitation of indapamide in human whole blood was developed and validated. Indapamide‐d3 was used as internal standard (IS) and liquid–liquid extraction was employed for sample preparation. LC separation was performed on Synergi Polar RP‐column (50 × 4.6 mm i.d.; 4 µm) and mobile phase composed of methanol and 5 mm aqueous ammonium acetate containing 1 mm formic acid (60:40), at flow rate of 1 mL/min. The run time was 3.0 min and the injection volume was 20 μL. Mass spectrometric detection was performed using electrospray ion source in negative ionization mode, using the transitions m/z 364.0 → m/z 188.9 and m/z 367.0 → m/z 188.9 for indapamide and IS, respectively. Calibration curve was constructed over the range 0.25–50 ng/mL. The method was precise and accurate, and provided recovery rates >80% for indapamide and IS. The method was applied to determine blood concentrations of indapamide in a bioequivalence study with two sustained release tablet formulations. The 90% confidence interval for the geometric mean ratios for maximum concentration was 95.78% and for the area under the concentration–time curve it was 97.91%. The tested indapamide tablets (Eurofarma Laboratórios S.A.) were bioequivalent to Natrilix®, according to the rate and extent of absorption. Copyright © 2014 John Wiley & Sons, Ltd.
Intermolecular and Regioselective Access to Polysubstituted Benzo‐ and Dihydrobenzo[c]azepine Derivatives: Modulating the Reactivity of Group 6 Non‐Heteroatom‐Stabilized Alkynyl Carbene Complexes
Authors: González Jairo , Gómez Aránzazu , Funes‐Ardoiz Ignacio , Santamaría Javier , Sampedro Diego
Published: April 2014

We highlight the versatility of non‐heteroatom‐stabilized tungsten–carbene complexes 3 synthesized in situ, which have been used in a modular approach to access 2‐benzazepinium isolable intermediates 5. By employing very mild conditions, benzazepinium derivatives 5 have been obtained in high yield from simple compounds, such as acetylides 2, Fischer‐type alkoxycarbenes 1, and phenylimines 4. The process, involving a formal [4+3] heterocycloaddition, occurs in a totally regioselective manner, which differs from the approach previously observed in similar procedures for other carbene analogues. This work, which involves three components, reveals a control of the reactivity of non‐heteroatom‐stabilized carbene complexes 3 ([4+3] vs. [2+2]‐heterocycloaddition reactions) depending on the acetylide substitution pattern. The influence of the substitution pattern in the behavior of the complexes has been computationally analyzed and rationalized. Finally, elaboration of the 2‐benzazepinium intermediates allows access to 3H‐benzo[c]azepines 6 and 3H‐1,2‐dihydrobenzo[c]azepines 7–9 with high control of the substitution of the nine positions of the heterocycle.
High‐Performance Cobalt Selenide and Nickel Selenide Nanocomposite Counter Electrode for Both Iodide/Triiodide and Cobalt(II/III) Redox Couples in Dye‐Sensitized Solar Cells
Authors: Wang Zaiwei , Xu Hongxia , Zhang Zhongyi , Zhou Xinhong , Pang Shuping , Cui Guanglei
Published: April 2014

The nanocomposites of cobalt selenide and nickel selenide (Co0.85Se/Ni0.85Se) were successfully fabricated on FTO glass by a facile co‐electrodeposition method at ambient temperature. Nanocomposite films were used as electrocatalysts in dye‐sensitized solar cell counter electrodes for regeneration of both iodide/triiodide and cobalt(II/III) redox couples. Co0.85Se/Ni0.85Se were mainly composed of nanoflakes and nanoparticles. It is noted that such nanostructure generated by nanoparticles embedded with 2D nanoflakes led to high active sites and was accessible to cobalt(II/III) electrolyte, delivering better catalytic activity for the reduction of larger volume cobalt(II/III). As a result, for cobalt(II/III) electrolyte, the Co0.85Se/Ni0.85Se based dye‐sensitized solar cell performed significantly improved efficiency than that of Pt and Co0.85Se. Meanwhile, the Co0.85Se/Ni0.85Se based dye‐sensitized solar cell held comparable energy conversion efficiency to that of Pt and Co0.85Se for iodide/triiodide electrolyte.
Supramolecular Nanofibers/Hydrogels of the Conjugates of Nucleobase, Saccharide, and Amino Acids
Authors: Wu Dongdong , Du Xuewen , Shi Junfeng , Zhou Jie , Xu Bing
Published: April 2014

Three new hydrogelators based on the conjugates of three naturally occurring biological building blocks: nucleobase, saccharide, and amino acids, were explored. Being synthesized via a facile solid phase peptide synthesis route, the hydrogelators self‐assemble in water to afford supramolecular nanofibers and hydrogels. Transmission electron microscopy, oscillation rheometry, and circular dichroism reveal that the hydrogels consist of largely helix‐based nanofibers of the widths of 5–12 nm and exhibit storage moduli up to 1 kPa. These hydrogelators also exhibit excellent cell‐compatibility. This work illustrates a new platform for constructing molecular soft materials for nanobiotechnology.
Computational Investigations about the Effects of Hetero‐molecular Aggregation on Bioactivities: a Case of Neonicotinoids and Water
Authors: Xia Shuang , Cheng Jiagao , Feng Yue , Shao Xusheng , Luo Haibin , Xu Zhiping , Xu Xiaoyong , Li Zhong
Published: April 2014

Molecular aggregation state of bioactive compounds plays a key role in bio‐interactive procedure. Diverse aggregation states of bioactive compounds contribute to different biological or chemical properties. Water‐bridge, as the simple hetero‐molecular aggregation, has been found bridging the binding between many bioactive compounds and their targets through hydrogen bonding network, e.g. in the recognition of neonicotinoids with insect nAChRs. To better understanding the roles of water‐bridge on bioactivities of compounds, an approach of hetero‐dimeric aggregation with water was proposed. Quantitative structure‐activity relationship (QSAR) and pharmacophore modeling investigations were applied on 19 neonicotinoids, as well as their aggregates with water. The aggregate‐based CoMSIA, PHASE and linear QSAR models presented better statistical significance and predictabilities than the monomer ones, which indicated that the bioactivities correlated with the aggregate properties and water bridged hydrogen bond of the active site. All results revealed the essential roles of water‐bridge in ligand recognition, which should be considered in future ligand design and optimization.
Preparation of Durable Emitter of Electrospray Mass Spectrometry by Covalently Coating the Fused‐Silica Capillary Tip with Carbon‐Nanotube Sol‐Gel Composite Material
Authors: Zhang Hanzhi , Liu Chao , Zhang Xuepei , Kang Jingwu
Published: April 2014

A simple approach for the preparation of emitter of electrospray ionization mass spectrometry by covalently coating the fused‐silica capillary tip with the conductive carbon‐nanotube sol‐gel composite material (CNTSCM) is described. The CNTSCM was prepared by dispersing single‐walled carbon nanotubes in the sol composed of a mixture of 3‐glycidoxypropyltrimethoxysilane and 3‐aminopropyltrimethoxysilane, and ethanol. The long‐term stability of the prepared ESI emitters was demonstrated by at least 180 h of continuous use. Signal intensity obtained by the prepared emitter was mass‐flux sensitive when the flow rate was lower than 500 nL/min, while the signal intensity performed a concentration dependence when the flow rate was in the range of 500–800 nL/min. The usefulness of such a prepared emitter was demonstrated by the analysis of various types of samples such as organic small molecular drugs, oligosaccharide, peptide, and protein.
New Soluble Near‐Infrared Dyes Based on Terrylene Diimides with Four Aromatic Heterocycles
Authors: Wei Huimin , Jiang Nan , Zhao Nan , Zhang Ying , Gao Baoxiang
Published: April 2014

Terrylene diimides with four aromatic heterocycles (AHTDIs) were synthesized under Stille Cross‐coupling conditions and fully characterized by NMR and mass spectrometry. The aggregation of the terrylene diimide (TDI) was suppressed by four heterocycles substituents on the bay region, and these AHTDIs exhibited good solubility in common organic solvents. The effects of the substituted groups on the optical and electrochemical properties were also investigated. The introduction of four aromatic heterocycles on the bay of TDI resulted in significant red‐shifts of the absorption peak (100 nm), corresponding to a decrease in the band gap from 1.82 to 1.50 eV. Furthermore, with four rich electron aromatic heterocycles, the AHTDIs showed 280 mV negative‐shifts of first oxidation potentials and a new oxidation wave, corresponding to an increase in the HOMO levels from?−5.60 to?−5.28 eV.
Recent Improvement in Coronary Computed Tomography Angiography Diagnostic Accuracy
Authors: Alani Anas , Nakanishi Rine , Budoff Matthew J.
Published: April 2014

Although invasive coronary angiography has been the gold standard for evaluating coronary artery disease (CAD), it should not be routinely performed as an initial test to assess CAD in subjects with suspected CAD by the recent guidelines, due to cost, invasiveness, and measurable risk. Coronary computed tomography angiography (CCTA) is a rapidly growing, noninvasive imaging modality that developed quickly over the last decade, and its role for evaluation of CAD becomes of great promise with high diagnostic accuracy. Although artifact issues have created some challenges for CCTA, recent advances—including the introduction of more detectors, leading to broader coverage, and faster and higher‐definition scanners—allow improved precision and fewer uninterpretable studies. This review article summarizes the current key literature regarding the diagnostic accuracy of CCTA in native coronary arteries, stents, coronary artery bypass grafts, lesions with high calcification, and the functional assessment of CAD.
Insight into the Recognition, Binding, and Reactivity of Catalytic Metallodrugs Targeting Stem Loop IIb of Hepatitis C IRES RNA
Authors: Bradford Seth S. , Ross Martin James , Fidai Insiya , Cowan James A.
Published: April 2014

The complex Cu‐GGHYrFK‐amide (1‐Cu) was previously reported as a novel metallotherapeutic that catalytically inactivates stem loop IIb (SLIIb) of the hepatitis C virus (HCV) internal ribosomal entry site (IRES) RNA and demonstrates significant antiviral activity in a cellular HCV replicon assay. Herein we describe additional studies focused on understanding the cleavage mechanism as well as the relationship of catalyst configuration to structural recognition and site‐selective cleavage of the structured RNA motif. These are advanced by use of a combination of MALDI‐TOF mass spectrometry, melting temperature determinations, and computational analysis to develop a structural model for binding and reactivity toward SLIIb of the IRES RNA. In addition, the binding, reactivity, and structural chemistry of the all‐D‐amino acid form of this metallopeptide, complex 2‐Cu, are reported and compared with those of complex 1‐Cu. In vitro RNA binding and cleavage assays for complex 2‐Cu show a KD value of 76±3 nM, and Michaelis–Menten parameters of kcat=0.14±0.01 min−1 and KM=7.9±1.2 μM, with a turnover number exceeding 40. In a luciferase‐based cellular replicon assay Cu‐GGhyrfk‐amide shows activity similar to that of the 1‐Cu parent peptide, with an IC50 value of 1.9±0.4 μM and cytotoxicity exceeding 100 μM. RT‐PCR experiments confirm a significant decrease in HCV RNA levels in replicon assays for up to nine days when treated with complex 1‐Cu in three‐day dosing increments. This study shows the influence that the α‐carbon stereocenter has for this new class of compounds, while detailed mass spectrometry and computational analyses provide new insight into the mechanisms of recognition, binding, and reactivity.
Multimodal imaging of micron‐sized iron oxide particles following in vitro and in vivo uptake by stem cells: down to the nanometer scale
Authors: Roose Dimitri , Leroux Frederic , De Vocht Nathalie , Guglielmetti Caroline , Pintelon Isabel , Adriaensen Dirk , Ponsaerts Peter , Van der Linden Annemie , Bals Sara
Published: April 2014

In this study, the interaction between cells and micron‐sized paramagnetic iron oxide (MPIO) particles was investigated by characterizing MPIO in their original state, and after cellular uptake in vitro as well as in vivo. Moreover, MPIO in the olfactory bulb were studied 9 months after injection. Using various imaging techniques, cell–MPIO interactions were investigated with increasing spatial resolution. Live cell confocal microscopy demonstrated that MPIO co‐localize with lysosomes after in vitro cellular uptake. In more detail, a membrane surrounding the MPIO was observed by high‐angle annular dark‐field scanning transmission electron microscopy (HAADF‐STEM). Following MPIO uptake in vivo, the same cell–MPIO interaction was observed by HAADF‐STEM in the subventricular zone at 1 week and in the olfactory bulb at 9 months after MPIO injection. These findings provide proof for the current hypothesis that MPIO are internalized by the cell through endocytosis. The results also show MPIO are not biodegradable, even after 9 months in the brain. Moreover, they show the possibility of HAADF‐STEM generating information on the labeled cell as well as on the MPIO. In summary, the methodology presented here provides a systematic route to investigate the interaction between cells and nanoparticles from the micrometer level down to the nanometer level and beyond. Copyright © 2014 John Wiley & Sons, Ltd.
Nucleophilic cross‐linked, dextran coated iron oxide nanoparticles as basis for molecular imaging: synthesis, characterization, visualization and comparison with previous product
Authors: Borny Robert , Lechleitner Thomas , Schmiedinger Thomas , Hermann Martin , Tessadri Richard , Redhammer Günther , Neumüller Josef , Kerjaschki Dontscho , Berzaczy Gundula , Erman Gürkan , Popovic Martin , Lammer Johannes , Funovics Martin
Published: April 2014

We present a new synthesis protocol for a multivalent, multimodality, nucleophilic nanoparticle ideal for in vivo imaging. Stability requirements necessitated covalent cross‐linking of the carbohydrate cage, easy functionalization the introduction of sterically accessible amine groups. The new protocol aimed at more uniform particle size, less clustering and superior magnetic properties compared with commercial nanoparticles. Particles were precipitated from Fe2+ and Fe3+ in the presence of 10 kDa dextran monodispersed from the aerosol phase. Cross‐linking was achieved with epichlorhydrin, nuclophilication with NH3, purification with ultrafiltration and dialysis. Particles and a commercial product (Rienso®, Takeda Pharma) underwent physicochemical characterizations. Biocompatibility was assessed by Resazurin on LLC‐PK1 cells; the internalization rate was measured for three cell lines (HAEC, HASMC, HT29). Core size was 5.61 ± 1.25 nm; hydrodynamic size was 49.56 ± 11.73 nm. The number of sterically accessible amine groups averaged 9.9. The cores showed cubic magnetite structure. Values of r1 and r2 were 10.9 and 148.17 mm−1 s−1. Cellular viability was unchanged after incubation. Introduction of aerosol phase dextran resulted in a reduction of the overall hydrodynamic diameter and a narrower size distribution of the synthesized particles. Electron tomography visualized for the first time the postulated ‘hairy layer’ of the dextran coating and enabled the measurement of the overall diameter of 100.2 ± 7.92 nm. The resulting nanoparticle is biocompatible, functionalizable and detectable at nanomolar concentrations with MRI and optical imaging. It can potentially serve as a platform for multimodal molecular imaging and targeted therapy approaches. Copyright © 2014 John Wiley & Sons, Ltd.
In vivo MR imaging of intercellular adhesion molecule‐1 expression in an animal model of multiple sclerosis
Authors: Blezer Erwin L. A. , Deddens Lisette H. , Kooij Gijs , Drexhage Joost , van der Pol Susanne M. A. , Reijerkerk Arie , Dijkhuizen Rick M. , de Vries Helga E.
Published: April 2014

Upregulation of intercellular adhesion molecule 1 (ICAM‐1) is an early event in lesion formation in multiple sclerosis (MS) and experimental autoimmune encephalomyelitis (EAE), an animal model of MS. Monitoring its expression may provide a biomarker for early disease activity and allow validation of anti‐inflammatory interventions. Our objective was therefore to explore whether ICAM‐1 expression can be visualized in vivo during EAE with magnetic resonance imaging (MRI) using micron‐sized particles of iron oxide (MPIO), and to compare accumulation profiles of targeted and untargeted MPIO, and a gadolinium‐containing agent. Targeted αICAM‐1‐MPIO/untargeted IgG‐MPIO were injected at two model‐characteristic phases of EAE (in myelin oligodendrocyte glycoprotein35–55‐immunized C57BL/6 J mice), that is, at the peak of the acute phase (14 ± 1 days post‐immunization) and during the chronic phase (26 ± 1 days post‐immunization), followed by T2*‐weighted MRI. Blood–brain barrier (BBB) permeability was measured using gadobutrol‐enhanced MRI. Cerebellar microvessels were analyzed for ICAM‐1 mRNA expression using quantitative PCR (qPCR). ICAM‐1 and iron oxide presence was examined with immunohistochemistry (IHC). During EAE, ICAM‐1 was expressed by brain endothelial cells, macrophages and T‐cells as shown with qPCR and (fluorescent) IHC. EAE animals injected with αICAM‐1‐MPIO showed MRI hypointensities, particularly in the subarachnoid space. αICAM‐1‐MPIO presence did not differ between the phases of EAE and was not associated with BBB dysfunction. αICAM‐1‐MPIO were associated with endothelial cells or cells located at the luminal side of blood vessels. In conclusion, ICAM‐1 expression can be visualized with in vivo molecular MRI during EAE, and provides an early tracer of disease activity. Copyright © 2014 John Wiley & Sons, Ltd.
Color naming experiments using 2D and 3D rendered samples
Authors: Tanaka Midori , Horiuchi Takahiko , Tominaga Shoji
Published: April 2014

This article describes a color naming experiment using 2D and 3D rendered color samples. Conventional color naming experiments using a priori clues generally involve 2D clues such as color patches. However, in real‐world scenes, most objects have 3D shapes whose colors are affected by illumination effects such as shadows and gloss. We use 2D and 3D rendered samples as clues in the experiments, and analyze the relationship between color terms and object surfaces. First, we develop a color term collection system that can produce 218 test colors. We render the color images of a flat disk as a 2D sample and a sphere as a 3D sample on a calibrated display device. It is supposed that the 2D and 3D surfaces with the same object color are obtained under the same conditions of viewing and illumination. The results of color naming experiments show that there are differences for color terms between 2D and 3D samples. Important findings are as follows: (1) brighter color terms tend to be chosen for the 3D samples than the 2D samples, when observing achromatic colors, (2) achromatic color terms are chosen for 3D samples having low saturation, and (3) for chromatic colors, a darker color term is generally chosen in comparison to the corresponding 2D samples of the same color. These properties become more prominent by changing the illumination angle from 0° to 45° to the surface normal. © 2014 Wiley Periodicals, Inc. Col Res Appl, 40, 270–280, 2015
Connections between generalized graph entropies and graph energy
Authors: Dehmer Matthias , Li Xueliang , Shi Yongtang
Published: April 2014

Dehmer and Mowshowitz introduced a class of generalized graph entropies using known information‐theoretic measures. These measures rely on assigning a probability distribution to a graph. In this article, we prove some extremal properties of such generalized graph entropies by using the graph energy and the spectral moments. Moreover, we study the relationships between the generalized graph entropies and compute the values of the generalized graph entropies for special graph classes. © 2014 Wiley Periodicals, Inc. Complexity 21: 35–41, 2015
Relating annual increments of the endangered Blanding's turtle plastron growth to climate
Authors: Richard Monik G. , Laroque Colin P. , Herman Thomas B.
Published: April 2014

This research is the first published study to report a relationship between climate variables and plastron growth increments of turtles, in this case the endangered Nova Scotia Blanding's turtle (Emydoidea blandingii). We used techniques and software common to the discipline of dendrochronology to successfully cross‐date our growth increment data series, to detrend and average our series of 80 immature Blanding's turtles into one common chronology, and to seek correlations between the chronology and environmental temperature and precipitation variables. Our cross‐dated chronology had a series intercorrelation of 0.441 (above 99% confidence interval), an average mean sensitivity of 0.293, and an average unfiltered autocorrelation of 0.377. Our master chronology represented increments from 1975 to 2007 (33 years), with index values ranging from a low of 0.688 in 2006 to a high of 1.303 in 1977. Univariate climate response function analysis on mean monthly air temperature and precipitation values revealed a positive correlation with the previous year's May temperature and current year's August temperature; a negative correlation with the previous year's October temperature; and no significant correlation with precipitation. These techniques for determining growth increment response to environmental variables should be applicable to other turtle species and merit further exploration.
The influence of antecedent floods on aquatic invertebrate diversity, abundance and community composition
Authors: Greenwood M. J. , Booker D. J.
Published: April 2014

Anthropogenic alterations to flow regimes have been identified as a serious threat to river ecology. Such alterations can affect the magnitude and timing of high and low flows. It is therefore important to understand how antecedent flow conditions affect aquatic communities. However, few studies have investigated whether antecedent flow conditions cause common, generalizable and perhaps predictable changes in aquatic invertebrate communities across a range of rivers. Using 22 years of data from 66 river sites in New Zealand, we investigated (1) whether there were common relationships between the time since a recent flood and aquatic invertebrate communities within a site and (2) whether site differences in hydrology or physical habitat could explain the rate and direction of community changes. Aquatic invertebrate diversity, abundance and several aspects of community composition changed significantly with time since a flood. The rate and direction of these changes varied markedly between sites, but was at least partly explained by differences in site characteristics related to hydrological regime, physical habitat, land use and network location. Results suggested that alterations to hydrological regimes that change flood frequency will affect aquatic invertebrate diversity, abundance and community composition in many rivers. It may be possible to use site or hydrological regime characteristics to identify rivers in which aquatic invertebrate communities are more likely to change, and perhaps the direction of change. Our results also highlight the importance of accounting for recent floods in sampling programmes that compare water quality or ecosystem health over time within a site. Copyright © 2014 John Wiley & Sons, Ltd.
A Planar Decanuclear Cobalt(II) Phosphonate
Authors: Sahoo Dipankar , Metre Ramesh K. , Kroener Wolfgang , Gieb Klaus , Müller Paul , Chandrasekhar Vadapalli
Published: April 2014

A decanuclear cobalt(II) phosphonate, [Co10{2,3,5,6‐(Me)4C6HCH2PO3}8{2,3,5,6‐(Me)4C6HCH2PO3H}4Cl6]·6Et3NH·10n‐hexane·16H2O (1) with a planar arrangement of the CoII ions is described. This compound shows slow relaxation of its dynamic magnetization.
Synthesis, Characterization, and Cytotoxic Activity of AuI N,S‐Heterocyclic Carbenes Derived from Peptides Containing L‐Thiazolylalanine
Authors: Gutiérrez Alejandro , Gimeno M. Concepción , Marzo Isabel , Metzler‐Nolte Nils
Published: April 2014

Thiazolium salts 2a–b derived from a dipeptide Boc‐Gly‐(Thz‐Ala)‐OMe (1b) containing the nonproteinogenic amino acid L‐thiazolylalanine (Thz‐Ala) can be used to generate the corresponding N,S‐heterocyclic carbene (NSHC) gold(I) (3a–b) and silver(I) (4) complexes. Reaction of the NSHC‐gold(I) iodide 3b with Boc‐Cys‐Gly‐OMe gives access to the peptide bioconjugate 5, which contains a NSHC‐Au‐(S‐Cys) unit. Compounds 3–5 constitute the first coin metal NSHC‐peptide complexes. All new compounds were comprehensively characterized by 1H, 13C and 2D‐NMR spectroscopy, IR spectroscopy, and mass spectrometry. Their cytotoxicity was studied in vitro against three different tumor cell lines (A549, Jurkat T and MiaPaca2) and IC50 values in the low micromolar range (< 25 μM), and as low as 0.4 μM in the best case were observed. All new Au complexes show good stability and promising properties and, as a result, this novel type of gold(I) carbene complex opens possibilities for the design of new metal‐based drugs with promising antitumor characteristics.
Efficient Domino Synthesis of Pyrrole‐Fused Isocoumarins with Microwave Heating
Authors: Sun Mu‐Yan , Meng Xiao‐Yan , Zhao Fu‐Jie , Dang Yi‐Jing , Jiang Fei , Liu Kai , Wang Cong‐Shuai , Jiang Bo , Tu Shu‐Jiang
Published: April 2014

A new three‐component approach to polyfunctionalized isochromeno[4,3‐b]pyrroles has been developed with excellent regioselectivity. During these domino reactions, two ring‐opening and three cyclization reactions were readily achieved through carbon–carbon bond cleavage under transition‐metal‐free conditions. The advantages of atom and step economy, and scope make this reaction a powerful tool for assembling tri‐heterocyclic scaffolds of general chemical and biomedical interest.
Tributary confluences and discontinuities in channel form and sediment texture: Rio Chama, NM
Authors: Swanson Benjamin J. , Meyer Grant
Published: April 2014

Numerous morphological changes can occur where two channels of distinct sediment and flow regimes meet, including abrupt shifts in channel slope, cross‐sectional area, planform style, and bed sediment size along the receiving channel. Along the Rio Chama between El Vado and Abiquiu Dams, northern New Mexico, arroyo tributaries intermittently deliver sediment from erodible sandstone and shale canyon walls to the mainstem channel. Much of the tributary activity occurs in flash floods and debris flows during summer thunderstorms, which often load the channel with sand and deposit coarser material at the mainstem confluence. In contrast, mainstem channel flow is dominated by snowmelt runoff. To examine tributary controls, we systematically collected cross‐section elevation and bed sediment data upstream and downstream of 26 tributary confluences along a 17 km reach. Data from 203 cross‐sections were used to build a one‐dimensional hydraulic model for comparing estimated channel parameters at bankfull and low‐flow conditions at these sites As compared to intermediate reaches, confluences primarily impact gradient and bed sediment size, reducing both parameters upstream of confluences and increasing them downstream. Cross‐section area is also slightly elevated above tributary confluences and reduced below. Major shifts in slope and bed sediment size at confluences appear to drive variations in sediment entrainment and transport capacity and the relative storage of sand along the channel bed. The data were analyzed and compared to models of channel organization based on lateral inputs, such as the Network Variance Model and the Sediment Link Concept. At a larger scale, hillslope − channel coupling increases in the downstream third of the study reach, where the canyon narrows, resulting in steeper slopes and more continuous coarse bed material along the mainstem, and thus, limiting the contrast with tributary confluences. However, channel form and sediment characteristics are highly variable along the study reach, reflecting variations in the size and volume of sediment inputs related to the surface geology in tributary watersheds, morphology of the Rio Chama at the junction (i.e. bends, confinement), and the relative magnitude and location of past depositional events. Copyright © 2014 John Wiley & Sons, Ltd.
Cyclic guanosine monophosphate/adenosine monophosphate synthase (cGAS), innate immune responses, and viral hepatitis
Authors: Verrier Eloi R. , Gack Michaela U. , Baumert Thomas F. , Schoggins J W , MacDuff D A , Imanaka N , Gainey M D , Shrestha B , Eitson J L
Published: April 2014

Abstract

The type I interferon (IFN) response protects cells from viral infection by inducing hundreds of interferon-stimulated genes (ISGs), some of which encode direct antiviral effectors. Recent screening studies have begun to catalogue ISGs with antiviral activity against several RNA and DNA viruses. However, antiviral ISG specificity across multiple distinct classes of viruses remains largely unexplored. Here we used an ectopic expression assay to screen a library of more than 350 human ISGs for effects on 14 viruses representing 7 families and 11 genera. We show that 47 genes inhibit one or more viruses, and 25 genes enhance virus infectivity. Comparative analysis reveals that the screened ISGs target positive-sense single stranded RNA viruses more effectively than negative-sense single stranded RNA viruses. Gene clustering highlights the cytosolic DNA sensor cyclic GMP-AMP synthase (cGAS, also known as MB21D1) as a gene whose expression also broadly inhibits several RNA viruses. In vitro, lentiviral delivery of enzymatically active cGAS triggers a STING-dependent, IRF3-mediated antiviral program that functions independently of canonical IFN/STAT1 signalling. In vivo, genetic ablation of murine cGAS reveals its requirement in the antiviral response to two DNA viruses, and an unappreciated contribution to the innate control of an RNA virus. These studies uncover new paradigms for the preferential specificity of IFN-mediated antiviral pathways spanning several virus families.
Efficient 3D kinetic monte carlo method for modeling of molecular structure and dynamics
Authors: Panshenskov Mikhail , Solov'yov Ilia A. , Solov'yov Andrey V.
Published: April 2014

Self‐assembly of molecular systems is an important and general problem that intertwines physics, chemistry, biology, and material sciences. Through understanding of the physical principles of self‐organization, it often becomes feasible to control the process and to obtain complex structures with tailored properties, for example, bacteria colonies of cells or nanodevices with desired properties. Theoretical studies and simulations provide an important tool for unraveling the principles of self‐organization and, therefore, have recently gained an increasing interest. The present article features an extension of a popular code MBN Explorer (MesoBioNano Explorer) aiming to provide a universal approach to study self‐assembly phenomena in biology and nanoscience. In particular, this extension involves a highly parallelized module of MBN Explorer that allows simulating stochastic processes using the kinetic Monte Carlo approach in a three‐dimensional space. We describe the computational side of the developed code, discuss its efficiency, and apply it for studying an exemplary system. © 2014 Wiley Periodicals, Inc.
Application of bioassay panel for assessing the impact of advanced oxidation processes on the treatment of reverse osmosis brine
Authors: Justo Ana , González Óscar , Aceña Jaume , Mita Luigi , Casado Marta , Pérez Sandra , Piña Benjamín , Sans Carme , Barceló Damià , Esplugas Santiago
Published: April 2014

BACKGROUND

The persistence of microcontaminants through conventional wastewater treatments is a matter of concern and it suggests the implementation of advanced treatment steps. Although there is evidence that reverse osmosis (RO) is the most efficient treatment for the the removal of these compounds, it has the drawback of producing significant amounts of highly polluted brine. In this work, chemical analyses and toxicity bioassays were combined to evaluate the removal of different pharmaceuticals and of dioxin‐like compounds from RO brine through oxidative processes such as ozone, UV and UV/H2O2.

RESULTS

The removal of the selected pharmaceuticals required a relatively high oxidative capacity, either by ozonation or by the combination of UV radiation and H2O2. Bioassays showed a significant dioxin‐like activity in brine samples, whereas antibacterial or estrogenic activities were negligible. UV by itself was the least efficient in removing this dioxin‐like activity. Ozonation appeared as the most competent treatment.

CONCLUSIONS

The results of this work indicate the usefulness of advanced oxidation methods, especially ozonation, to remove biologically active micropollutants from brine samples. They also show that only the combination of chemical analyses and bioassays allows complete characterization of the efficiency of advanced water treatment processes to remove recalcitrant pollutants. © 2014 Society of Chemical Industry
Utility of Enaminonitriles in Heterocyclic Synthesis: Synthesis of Some New Azepine, Azocine, and Pyrroldione Derivatives
Authors: Fadda Ahmed A. , Elattar Khaled M.
Published: April 2014

Reactions of enaminonitrile derivative 3 with a variety of reagents lead to the syntheses of novel 1,2,4‐triazepin 7, 1,4‐thiazepinone 9, oxazocines 13, 14, oxadiazocines 15, 16, and pyrroldiones 17, 18, 19, 20, 2122 with the aim to explore the use of this exceptionally reactive enaminonitrile 3 in heterocyclic synthesis. Newly synthesized compounds were characterized by elemental analyses and spectral data (IR, 1H‐NMR, 13C‐NMR, and MS).
3‐Hydrazido and 3‐Hydrazono Derivatives of Tenuazonic Acid and their Herbicide Evaluation
Authors: Liu Yu‐Xiu , Cui Zhi‐Peng , Li Yong‐Hong , Gu Yu‐Cheng , Wang Qing‐Min
Published: April 2014

With the aim of optimizing the structure of tenuazonic acid and improving the herbicidal activity, hydrazine moieties were introduced to the 3‐position of pyrrolidine‐2,4‐dione scaffold of tenuazonic acid. 3‐Hydrazido‐pyrrolidine‐2,4‐dione compounds (4a, 4b, 4c, 4d, 4e) were prepared from corresponding carboxylates and hydrazines via a microwave‐assisted amidation, whereas 3‐hydrazono compounds (7a, 7b, 7c, 7d, 7e) were prepared from corresponding 3‐acetyl pyrrolidine‐2,4‐dione. Both of the two structures also exhibited herbicidal activities, especially against the dicotyledonous species amaranth pigweed (Amaranthus retroflexus), but with different structure‐activity relationship.
Synthesis and Characterization of New Cross‐like Porphyrin–Naphthalocyanine and Porphyrin–Phthalocyanine Pentads
Authors: Calvete Mário J. F. , Tomé João P. C. , Cavaleiro José A. S.
Published: April 2014

Synthesis and characterization of new cross‐like porphyrin–naphthalocyanine and porphyrin–phthalocyanine systems, where one naphthalocyanine and one phthalocyanine are the central moieties of the pentads, respectively, and in both cases substituted with four porphyrin units, in a cross‐shape structure. Porphyrin–naphthalonitrile and porphyrin–phthalonitrile adducts were prepared from the reaction of 5‐(p‐hydroxyphenyl)‐10,15,20‐triphenylporphyrin with the appropriate dihalogenated naphthalonitrile or phthalonitrile, respectively, to provide a straightforward cyclotetramerization in the presence of metallic magnesium, used as template. Spectroscopic characterization and initial photophysical assessment are also reported.
Mandatory presuit mediation: 5‐year results of a medical malpractice resolution program
Authors: Jenkins Randall C. , Smillov Arlene E. , Goodwin Matthew A.
Published: April 2014

The Florida Patient Safety and Presuit Mediation Program (FLPSMP) is a mandatory mediation program designed to provide deserving patients with fast, fair compensation while limiting the healthcare provider expenses incurred during traditional litigation. Mediation occurs before litigation begins; therefore, patients with meritorious claims receive compensation often years earlier than they would with extended litigation. This early mediation fosters confidential and candid communication between doctors and patients, which promotes early fact‐finding and candid discussion. The program went into effect across the University of Florida (UF) Health system on January 1, 2008. In an article previously published in this journal, we discussed the positive trend observed 2 years after the implementation of the FLPSMP. This article incorporates 5 years of data, which includes new benchmarks with state and national data, to demonstrate that the program can be used successfully as a medical malpractice solution.