bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Synthesis and Biological Activity of Guanylhydrazones of 2‐ and 4‐Pyridine‐ and 4‐Quinolinecarboxaldehydes.
Authors: FOYE W. O. , ALMASSIAN B. , EISENBERG M. S. , MAHER T. J.
Published: May 2016

Twenty‐seven representatives of the title compounds are synthesized starting with S‐methylisothiosemicarbazide hydrochloride (I) as outlined in the reaction scheme for the examples (IV) and (VII).
ChemInform Abstract: Aspirin Prodrugs: 2‐Methyl‐2‐aryloxy‐4H‐1,3‐benzodioxin‐4‐ones Acting as True Aspirin Prodrugs.
Authors: HUNDEWADT M. , SENNING A.
Published: May 2016

The title compounds, e.g. (III) and (VII) are synthesized as shown in the scheme; two of them, i.e. (IIIc), are known.
ChemInform Abstract: Preparation and Molecular Recognition Behavior of a Hexapus Azaparacyclophane.
Authors: HISAEDA Y. , IHARA T. , OHNO T. , MURAKAMI Y.
Published: May 2016

The title compound (VII) recognizes anionic and nonionic hydrophobic guests in aqueous solutions.
ChemInform Abstract: syn‐1,6‐Imino‐8,13‐oxido(14)annulene.
Authors: MARCO J. A. , SANZ J. F.
Published: May 2016

The synthesis of syn‐1,6‐imino‐8,13‐oxido(14)annulene (IX) from hexahydroanthracene (I) is achieved via the imine (III) and the imino oxido intermediates (IV), (VI), (VII), and (VIII).
ChemInform Abstract: Bora‐Aromatic Systems. Part 12. Thermal Generation and Transformation of the Borepin Ring System: A Paradigm of Pericyclic Processes.
Authors: EISCH J. J. , GALLE J. E. , SHAFII B. , RHEINGOLD A. L.
Published: May 2016

The synthesis of the borepin ring system, e.g. (IV), resulting from interaction of an alkyne with the highly reactive borole ring such as (I) and the occurrence of an unusual sequence of skeletal rearrangements is well known.
ChemInform Abstract: A General, High‐Yield Reaction for the Formation of (Chloromethyl)oligosilanes.
Authors: KOBAYASHI T. , PANNELL K. H.
Published: May 2016

As outlined in the scheme for several examples, the title silanes are obtained in a simple, high‐yield, one‐step reaction between corresponding chlorosilanes and in situ generated chloromethyl‐lithium.
ChemInform Abstract: Addition of Diphenylphosphine to Michael‐Type Olefins: The Preparation of Phosphine‐Nitrile and Phosphine‐Ester Ligands.
Authors: BLINN D. A. , BUTTON R. S. , FARAZI V. , NEEB M. K. , TAPLEY C. L. , TREHEARNE T. E. , WEST S. D. , KRUGER T. L. , STORHOFF B. N.
Published: May 2016

The phosphine‐nitrile compounds (III) and (IV) and the phosphine‐esters (VI) are obtained as shown.
ChemInform Abstract: A Novel Synthesis of 6‐Hydroxyalkyl‐ and 6‐Hydroxyaralkyl‐6H‐dibenz(c,e)(1,2)oxaphosphorin 6‐Oxides.
Authors: YAMADA Y. , YASUDA H. , SAITO T.
Published: May 2016

A range of 40 title compounds such as (III) and (V) is prepared by condensation of the phosphonic acid (I) with aldehydes resp. ketones.
ChemInform Abstract: Intramolecular Donor‐Acceptor Interactions in λ4P(V) Compounds. ‐ Phosphorus(V) Derivatives of N,N,N′‐Trimethylethylenediamine.
Authors: BECKER W. , JONES P. G. , SCHOMBURG D. , SCHMUTZLER R.
Published: May 2016

The chlorophosphino derivative (I) of trimethylethylenediamine is oxidized by DMSO or S8 to give the corresponding phosphonamidic chlorides (II) and (III), respectively.
ChemInform Abstract: Tris(morpholino)selenonium Fluoride.
Authors: MARKOVSKII L. N. , TOVSTENKO V. I. , MARTYNYUK E. G. , PASHINNIK V. E. , SHERMOLOVICH YU. G. , IKSANOVA S. V.
Published: May 2016

The title compound (III) acts as fluorating agent.
ChemInform Abstract: The Reaction of 5,10,15,20‐Tetrakis(2,6‐dichloro‐3‐sulfonatophenyl)porphinatoiron(III) Hydrate with Alkyl and Acyl Hydroperoxides. The Dynamics of Reaction of Water‐Soluble and Non μ‐Oxo Dimer Forming Iron(III) Porphyrins in Aqueous Solution.
Authors: MURATA K. , PANICUCCI R. , GOPINATH E. , BRUICE T. C.
Published: May 2016

Kinetics and product studies are reported for the title reaction in water.
ChemInform Abstract: Isomerization of a 1‐Cobalta‐2‐phospha‐1,3‐diene to Tricarbonyl(1‐phosphaallyl)cobalt.
Authors: LANG H. , LEISE M.
Published: May 2016

The reaction of the styryl‐substituted chlorophosphane (I) with Na(Co(CO)4) (II) yields the (1‐phosphaallyl)‐Co complex (IV) and the bimetallic compound (V).
ChemInform Abstract: Aldehyde Insertion into a Platinum Hydride and Subsequent Nucleophilic Attack of the Alkoxide at Phosphorus: Platinum‐Alkoxide/Phosphorus‐Aryl Metathesis.
Authors: VAN LEEUWEN P. W. N. M. , ROOBEEK C. F. , ORPEN A. G.
Published: May 2016

The phosphinito complex (I) is treated with the aldehyde (II) to give the cyclic platinum alkoxide (III).
ChemInform Abstract: Preparation, Reactivity, and Neurotoxicity of Tryptamine‐4,5‐dione.
Authors: CAI P. , SNYDER J. K. , CHEN J.‐C. , FINE R. , VOLICER L.
Published: May 2016

The tryptaminedione (III), prepared from tryptamine (I), is treated with the S‐nucleophiles (IV) to form the 1,4‐adducts (V).
ChemInform Abstract: Salicylphosphorous Acid Derivatives in the Synthesis of Nucleoside Phosphates.
Authors: KVASYUK E. I. , KULAK T. I. , ZAITSEVA G. V. , TKACHENKO O. V. , MIKHAILOPULO I. A.
Published: May 2016

In the reaction of salicylchlorophosphite (I) with the thymidines (II) and (III), the thio analogue of (IV) as well as the corresponding deprotected products are also prepared.
General Scheme for Oxidative Quenching of a Copper Bis‐Phenanthroline Photosensitizer for Light‐Driven Hydrogen Production
Authors: Windisch J. , Orazietti M. , Hamm P. , Alberto R. , Probst B.
Published: May 2016

A new, general reaction scheme for photocatalytic hydrogen production is presented based on oxidative quenching of a homoleptic copper(I) bis‐1,10‐phenanthroline photosensitizer (PS) by 1‐methyl‐4‐phenyl‐pyridinium (MPP+) as the electron relay and subsequent regeneration of the so formed copper(II) complex by a sacrificial electron donor. Electron transfer from the relay to various cobalt based water reduction catalysts and subsequent H2 production was shown to close the catalytic cycle. Transient absorption experiments unambiguously confirmed the proposed pathway, both the oxidative quenching and subsequent regeneration of oxidized PS. Photocatalytic test runs further confirmed the role of MPP+ and up to 10 turnovers were achieved in the relay. The performance limiting factor of the system was shown to be the decomplexation of the copper PS. Quantum yields of the system were 0.03 for H2 production, but 0.6 for MPP. formation, clearly indicating that unproductive pathways still prevail.
Nature‐Inspired Design of Artificial Solar‐to‐Fuel Conversion Systems based on Copper Phosphate Microflowers
Authors: Wang Jing , Zhu Ting , Ho Ghim Wei
Published: May 2016

Phosphates play significant roles in plant photosynthesis by mediating electron transportation and furnishing energy for CO2 reduction. Motivated by this, we demonstrate herein an artificial solar‐to‐fuel conversion system, involving versatile copper phosphate microflowers as template and titanium dioxide nanoparticles as host photocatalyst. The elaborate flowerlike architectures, coupled with a unique proton‐reduction cycle from interchangeability of different species of orthophosphate ions, not only offer a 2D nanosheet platform for an optimal heterostructure interface but also effectively augment charge‐carrier transfer, thereby contributing to enhanced photoactivity and hydrogen generation. These nature‐inspired, phosphate‐derived nanocomposites advance the synthesis of a large variety of functional materials, which holds great potential for photochemical, photoelectric and catalytic applications.
Mate choice for neutral and MHC genetic characteristics in Alpine marmots: different targets in different contexts?
Authors: Ferrandiz‐Rovira Mariona , Allainé Dominique , Callait‐Cardinal Marie‐Pierre , Cohas Aurélie
Published: May 2016

Sexual selection through female mate choice for genetic characteristics has been suggested to be an important evolutionary force maintaining genetic variation in animal populations. However, the genetic targets of female mate choice are not clearly identified and whether female mate choice is based on neutral genetic characteristics or on particular functional loci remains an open question. Here, we investigated the genetic targets of female mate choice in Alpine marmots (Marmota marmota), a socially monogamous mammal where extra‐pair paternity (EPP) occurs. We used 16 microsatellites to describe neutral genetic characteristics and two MHC loci belonging to MHC class I and II as functional genetic characteristics. Our results reveal that (1) neutral and MHC genetic characteristics convey different information in this species, (2) social pairs show a higher MHC class II dissimilarity than expected under random mate choice, and (3) the occurrence of EPP increases when social pairs present a high neutral genetic similarity or dissimilarity but also when they present low MHC class II dissimilarity. Thus, female mate choice is based on both neutral and MHC genetic characteristics, and the genetic characteristics targeted seem to be context dependent (i.e., the genes involved in social mate choice and genetic mate choice differ). We emphasize the need for empirical studies of mate choice in the wild using both neutral and MHC genetic characteristics because whether neutral and functional genetic characteristics convey similar information is not universal.
The prognostic significance of specific HOX gene expression patterns in ovarian cancer
Authors: Kelly Zoe , Moller‐Levet Carla , McGrath Sophie , Butler‐Manuel Simon , Kavitha Madhuri Thumuluru , Kierzek Andrzej M. , Pandha Hardev , Morgan Richard , Michael Agnieszka
Published: May 2016

HOX genes are vital for all aspects of mammalian growth and differentiation, and their dysregulated expression is related to ovarian carcinogenesis. The aim of the current study was to establish the prognostic value of HOX dysregulation as well as its role in platinum resistance. The potential to target HOX proteins through the HOX/PBX interaction was also explored in the context of platinum resistance. HOX gene expression was determined in ovarian cancer cell lines and primary EOCs by QPCR, and compared to expression in normal ovarian epithelium and fallopian tube tissue samples. Statistical analysis included one‐way ANOVA and t‐tests, using statistical software R and GraphPad. The analysis identified 36 of the 39 HOX genes as being overexpressed in high grade serous EOC compared to normal tissue. We detected a molecular HOX gene‐signature that predicted poor outcome. Overexpression of HOXB4 and HOXB9 was identified in high grade serous cell lines after platinum resistance developed. Targeting the HOX/PBX dimer with the HXR9 peptide enhanced the cytotoxicity of cisplatin in platinum‐resistant ovarian cancer. In conclusion, this study has shown the HOX genes are highly dysregulated in ovarian cancer with high expression of HOXA13, B6, C13, D1 and D13 being predictive of poor clinical outcome. Targeting the HOX/PBX dimer in platinum–resistant cancer represents a potentially new therapeutic option that should be further developed and tested in clinical trials.
Impact of Domestic Investor Protection on Foreign Investment Decisions: Evidence from Bond Markets
Authors: Pradkhan Elina
Published: May 2016

This study explores the relationship between domestic creditor protection and foreign investment decisions in bond markets. It also investigates how the difference between domestic and foreign creditor protections affects the foreign investment. The impact of domestic creditor protection on cross‐border investment in bonds is twofold. A high level of domestic creditor protection increases international diversification. At the same time, an efficient protection of creditor rights at home reduces the sensitivity of foreign investment to foreign creditor protection. These results hold most strongly for investing countries with high levels of domestic creditor protection. In addition, this study shows that the difference between domestic and foreign creditor protections matters for investment decisions: if domestic creditor protection is more efficient than foreign creditor protection, the sensitivity of foreign investment to foreign (domestic) creditor protection decreases (increases). Copyright © 2016 John Wiley & Sons, Ltd.
Gene and MicroRNA Expression Are Predictive of Tumor Response in Rectal Adenocarcinoma Patients Treated With Preoperative Chemoradiotherapy
Authors: Millino Caterina , Maretto Isacco , Pacchioni Beniamina , Digito Maura , De Paoli Antonino , Canzonieri Vincenzo , D'Angelo Edoardo , Agostini Marco , Rizzolio Flavio , Giordano Antonio , Barina Andrea , Rajendran Senthilkumar , Esposito Giovanni , Lanfranchi Gerolamo , Nitti Donato , Pucciarelli Salvatore
Published: May 2016

Preoperative chemoradiotherapy (pCRT) followed by surgery is the standard treatment for locally advanced rectal cancer (LARC). However, tumor response to pCRT is not uniform, and there are no effective predictive methods. This study investigated whether specific gene and miRNA expression are associated with tumor response to pCRT. Tissue biopsies were obtained from patients before pCRT and resection. Gene and miRNA expression were analyzed using a one‐color microarray technique that compares signatures between responders (R) and non‐responders (NR), as measured based on tumor regression grade. Two groups composed of 38 “exploration cohort” and 21 “validation cohort” LARC patients were considered for a total of 32 NR and 27 R patients. In the first cohort, using SAM Two Class analysis, 256 genes and 29 miRNAs that were differentially expressed between the NR and R patients were identified. The anti‐correlation analysis showed that the same 8 miRNA interacted with different networks of transcripts. The miR‐630 appeared only with the NR patients and was anti‐correlated with a single transcript: RAB5B. After PAM, the following eight transcripts were strong predictors of tumor response: TMEM188, ITGA2, NRG, TRAM1, BCL2L13, MYO1B, KLF7, and GTSE1. Using this gene set, an unsupervised cluster analysis was applied to the validation cohort and correctly assigned the patients to the NR or R group with 85.7% accuracy, 90% sensitivity, and 82% specificity. All three parameters reached 100% when both cohorts were considered together. In conclusion, gene and miRNA expression profiles may be helpful for predicting response to pCRT in LARC patients. J. Cell. Physiol. 232: 426–435, 2017. © 2016 Wiley Periodicals, Inc.
Knowledge Management Capabilities and Organizational Performance in Roads and Transport Authority of Dubai: The mediating role of Learning Organization
Authors: Ngah Rohana , Tai Taufiq , Bontis Nick
Published: May 2016

The purpose of this study is to examine the effect of knowledge management capabilities on organizational performance in the public sector. Learning organization was included as a mediator to investigate its effect on the relationship between knowledge management capabilities and organizational performance. The conceptual framework provided a useful perspective to study knowledge management capabilities in a government setting in Dubai.

Two hundred and fifty‐five usable questionnaires were collected from the survey. The respondents were executives, managers and directors of the Roads and Transport Authority of Dubai, United Arab Emirates. SPSS version 21 and amos version 20 (IBM Corporation, Armonk, NY, USA) were utilized to test the conceptual model. The findings show that knowledge management capabilities have a positive and significant relationship with organizational performance. Learning organization fully mediates the relationship between knowledge management capabilities and organizational performance.

The study only focuses on the Roads and Transport Authority, which is one of the government agencies in Dubai. Recommendations are provided to offer practitioners alternative solutions to their weaknesses and set strategies to improve the effectiveness of their knowledge management capabilities to promote continuous learning in the organization. This is the first study of knowledge management and learning organization carried out in Dubai or the United Arab Emirates in the public sector. Copyright © 2016 John Wiley & Sons, Ltd.
Liver Transplantation in Brazil
Authors: Bittencourt Paulo Lisboa , Farias Alberto Queiroz , Couto Claudia Alves
Published: May 2016

Over 1700 liver transplantations (LTs) are performed annually in Brazil. In absolute terms, the country performs more LT surgeries than anywhere else in Latin America and is third worldwide. However, due to its increasing population and inadequate donor organ supply, the country averages 5‐10 LTs per million population, far lower than required. There is a marked heterogeneity in organ donation and LT activity throughout the country. Access to LT in the underprivileged North, Midwest, and Northeast regions of Brazil is scarce. Major challenges for the future of LT in Brazil will be to increase organ donation and access to LT. The reduction of those geographical disparities in donation, organ procurement, and LT due to political and financial constraints is of utmost importance. Liver Transplantation 22 1254–1258 2016 AASLD
The Signaling Effects of the US Food and Drug Administration Fast‐Track Designation
Authors: Miller Kathleen L. , Nardinelli Clark , Pink George , Reiter Kristin
Published: May 2016

Pharmaceutical firms are reluctant to disclose proprietary information about a drug's likelihood of approval by the U.S. Food and Drug Administration (FDA) for fear of losing their competitive advantage. Instead, firms may use signals, like the FDA fast‐track designation, to indicate to investors the likelihood of a drug's approval. This analysis uses an event study methodology, with stock and market data from the Center for Research in Security Prices. The results show that the fast‐track designation is a strong, positive signal to investors (1998–2015), but its strength has markedly decreased over time. Results also show that the signal is strongest for the smallest firms. Copyright © 2016 John Wiley & Sons, Ltd.
Computational methods for image reconstruction
Authors: Chung Julianne , Ruthotto Lars
Published: May 2016

Reconstructing images from indirect measurements is a central problem in many applications, including the subject of this special issue, quantitative susceptibility mapping (QSM). The process of image reconstruction typically requires solving an inverse problem that is ill‐posed and large‐scale and thus challenging to solve. Although the research field of inverse problems is thriving and very active with diverse applications, in this part of the special issue we will focus on recent advances in inverse problems that are specific to deconvolution problems, the class of problems to which QSM belongs. We will describe analytic tools that can be used to investigate underlying ill‐posedness and apply them to the QSM reconstruction problem and the related extensively studied image deblurring problem. We will discuss state‐of‐the‐art computational tools and methods for image reconstruction, including regularization approaches and regularization parameter selection methods. We finish by outlining some of the current trends and future challenges. Copyright © 2016 John Wiley & Sons, Ltd.
Randomized clinical trial of portion‐controlled prepackaged foods to promote weight loss
Authors: Rock Cheryl L. , Flatt Shirley W. , Pakiz Bilgé , Barkai Hava‐Shoshana , Heath Dennis D. , Krumhar Kim C.
Published: May 2016

Objective

Providing portion‐controlled prepackaged foods in a behavioral counseling intervention may promote more weight and fat loss than a standard self‐selected diet.

Methods

The primary aim was to test whether providing portion‐controlled prepackaged lunch and dinner entrées within a behavioral weight loss intervention promotes greater weight loss at 12 weeks compared to self‐selected foods in adults with overweight/obesity. Other aims were to examine effects on biological factors, fitness, and meal satisfaction. One‐half of those assigned to prepackaged entrées were provided items with a higher protein level (>25% energy) as an exploratory aim.

Results

Participants (N = 183) had a baseline weight of 95.9 (15.6) kg (mean [SD]) and BMI of 33.2 (3.5) kg/m2. Weight data at 12 weeks were available for 180 subjects. Weight loss for regular entrée, higher protein entrée, and control groups was 8.6 (3.9)%, 7.8 (5.1)%, and 6.0 (4.4)%, respectively (P < 0.05, intervention vs. control). Intervention participants lost more body fat than controls (5.7 [3.4] vs. 4.4 [3.3] kg, P < 0.05).

Conclusions

A meal plan incorporating portion‐controlled prepackaged entrées promotes greater weight and fat loss than a standard self‐selected diet, with comparable meal satisfaction. Initial weight loss predicts long‐term weight loss so these results are relevant to likelihood of longer term success.
Medical expenditures in patients with high risk of diabetes: Effects of BMI, hypertension, and health‐related quality of life
Authors: Rendas‐Baum Regina , Lyng Wolden Michael , Le Lay Agathe , Bue Bjorner Jakob
Published: May 2016

Objective

To evaluate the health‐related quality of life (HRQOL) of patients with diabetes and persons at high risk of developing diabetes and the association between HRQOL scores and subsequent medical expenditures in these persons.

Methods

Data came from the Medical Expenditure Panel Survey. Body mass index (BMI) and hypertension were used to identify risk of diabetes. Burden was assessed by comparing SF‐12 physical (PCS) and mental (MCS) summary scores in patients with diabetes and those at risk of having diabetes to the age‐ and gender‐adjusted PCS and MCS of those with normal BMI and no hypertension. Associations between PCS and MCS and medical expenditures were modeled using a two‐part model that controlled for clinical and demographic factors. Percent increase in expenditure associated with PCS and MCS differences was evaluated as the ratio of estimated expenditure, holding other factors fixed.

Results

Diabetes risk factors were associated with up to 9‐point lower PCS and 3‐point lower MCS score. Overall, 1‐, 2‐, 5‐, and 10‐point lower PCS scores were associated with 2.9%, 5.8%, 15.0%, and 31.8% higher expenditures, and lower MCS scores were associated with 1.3%, 2.6%, 6.5%, and 13.5% higher expenditures, respectively.

Conclusions

The reported associations can help clinicians and researchers interpret the magnitude of HRQOL score differences.
Improvements in glycemic control after gastric bypass occur despite persistent adipose tissue inflammation
Authors: Kratz Mario , Hagman Derek K. , Kuzma Jessica N. , Foster‐Schubert Karen E. , Chan Chun P. , Stewart Skye , van Yserloo Brian , Westbrook Emily O. , Arterburn David E. , Flum David R. , Cummings David E.
Published: May 2016

Objective

Type 2 diabetes commonly goes into remission following Roux‐en‐Y gastric bypass (RYGB). As the mechanisms remain incompletely understood, a reduction in adipose tissue inflammation may contribute to these metabolic improvements. Therefore, whether RYGB reduces adipose tissue inflammation compared with equivalent weight loss from an intensive lifestyle intervention was investigated.

Methods

Sixteen people with obesity and type 2 diabetes were randomized to RYGB or lifestyle intervention. Fasting blood and subcutaneous abdominal adipose tissue were obtained before and after the loss of ∼7% of baseline weight. Adipose tissue inflammation was assessed by whole‐tissue gene expression and flow cytometry‐based quantification of tissue leukocytes.

Results

At 7% weight loss, insulin and metformin use were reduced among the RYGB but not the Lifestyle cohort, while fasting glucose and insulin declined in both. Adipose tissue inflammation increased modestly after RYGB and to a similar extent following nonsurgical weight loss. In both groups, the number of neutrophils increased severalfold (P < 0.001), mRNA levels of the proinflammatory cytokine interleukin‐1β increased (P = 0.037), and mRNA expression of the anti‐inflammatory and insulin‐sensitizing adipokine adiponectin decreased (P = 0.010).

Conclusions

A reduction in adipose tissue inflammation is not one of the acute weight loss‐independent mechanisms through which RYGB exerts its antidiabetes effects.
Recent progress in thermal analysis of polymers: experimental techniques and a new aspect of temperature in measurement of material properties
Authors: Saruyama Yasuo , Tatsumi Soichi , Yao Haruhiko
Published: May 2016

Thermal analysis has been utilized in polymer research for a long time and its usefulness is widely recognized. High‐performance commercial instruments have driven significant progress in the thermal studies of polymers. On the other hand, new experimental instruments have been developed in laboratories as well. In this paper attention is paid to the latter category. The laboratory‐made instrument focused on the target material and/or phenomena provides data that are not available from other techniques. Experiments using the temperature modulation technique, which has been successfully utilized in laboratory‐made instruments, are introduced in this paper. The temperature modulation technique reveals a new aspect of temperature useful for studies of material properties. © 2016 Society of Chemical Industry
In silico engineering of graphene‐based van der Waals heterostructured nanohybrids for electronics and energy applications
Authors: Du Aijun
Published: May 2016

The successful isolation of single‐layer graphene sheet has led to tremendous progress in the discovery of new 2D materials including boron nitride, silicene, mxene, phosphorene, and transition metal dichalcogenides. However, the practical applications based on one simple 2D material are still at very early stage. Interfacing electrically and optically active graphene with other 2D materials or crystalline substrate will form a van der Waals heterostructured nanohybrid, which is attracting growing research interest across the disciplines of physics, chemistry, and material science. Such delicate heterostructures can combine the electronic functionality from each individual 2D material, holding great promise for applications in nanoscale electronics and sustainable energy. Computational exploration of electronic functionality in 2D graphene‐based van der Waals heterostructures can offer great theoretical insights and design principle that may prove profitable for experimental synthesis and device fabrications. In this review, we highlight recent progress on modeling graphene‐based van der Waals nanohybrids using density functional theory‐based approach. Particular emphasis will be given on the design of van der Waals heterostructured nanohybrids to modulate stability, stacking geometry, band gap, quantum spin Hall effect, electrical conductivity, optical/friction properties, chemical reactivity, Schottky barrier, carbon dioxide capture, etc. We also comment on the challenges that need to be overcome and outline some interesting research opportunities for future computational exploration of electronic functionality in 2D van der Waals heterostructures. WIREs Comput Mol Sci 2016, 6:551–570. doi: 10.1002/wcms.1266

This article is categorized under:

Structure and Mechanism > Reaction Mechanisms and Catalysis

Structure and Mechanism > Computational Materials Science

Electronic Structure Theory > Density Functional Theory
Retail Marketing: A Novel Research Agenda
Authors: Parsons Andrew G. , Descatoires Ellie
Published: May 2016

With the shift in paradigm occurring for retailing, this paper puts out a call for academics researching in the area to take up the challenge of novel research rather than the more typical incremental research of the past and present. A thematic analysis of current retail research is presented from the four leading retail journals to identify and illustrate the incremental nature of current research and the standard retail area themes considered by academics. Following this, through seeking what is not in the current incremental research, a series of potential research areas and questions are posed, creating a novel research agenda for the field of retail marketing.
Mantle diapirism at convergent boundaries (Sea of Japan)
Authors: Martynov Yu.A. , Golozubov V.V. , Khanchuk A.I.
Published: May 2016

New data on geology, geochemistry, and isotope systematics of lavas in the East Sikhote-Alin area, along with earlier published evidence for the Sea of Japan, provide insights into the dynamics of back-arc basins and their role in the tectonic and magmatic history of continental margins. Right-lateral strike-slip faulting, the key event in the Cenozoic history of East Sikhote-Alin, apparently had no relation with the subduction in post-Eocene time. At that time, the Late Cretaceous subduction ended and oceanic asthenosphere with Pacific-type MORB isotope signatures injected into the subcontinental mantle through slab windows. The Sea of Japan opening began in the Eocene with formation of small rift basins in the Tatar Strait, which accumulated coastal facies. During the main Miocene phase of activity, the zone affected by oceanic asthenosphere moved eastward, i.e., to the modern deepwater Sea of Japan. The effect of oceanic asthenosphere on the continental margin ended in the Late Miocene after the Sea of Japan had opened and new subduction initiated east of the Japan Islands.
Late Paleozoic gabbroids of western Transbaikalia: U–Pb and Ar–Ar isotopic ages, composition, and petrogenesis
Authors: Tsygankov A.A. , Khubanov V.B. , Travin A.V. , Lepekhina E.N. , Burmakina G.N. , Antsiferova T.N. , Udoratina O.V.
Published: May 2016

We provide new isotope–geochronological evidence for the synchronous occurrence of Late Paleozoic basic and granitoid magmatism in western Transbaikalia; this is a strong argument for the contribution of mantle magmas to granitoid petrogenesis. The Late Paleozoic basic rocks originated from the phlogopite–garnet-bearing lherzolitic mantle, which melted under “hydration conditions.” The specific features of Late Paleozoic magmatism in western Transbaikalia were determined by the combination of the activity of a low-energy mantle plume with the final stage of the Hercynian orogeny in space and time. At the early stage of magmatism, during the formation of the Barguzin granites, the plume had only a thermal influence on the crustal rocks heated as a result of Hercynian fold–thrust deformations. The mixing of mantle basic and crustal salic magmas at different levels marked the transition from crustal to mixed (mantle–crustal) granites, which include all post-Barguzin complexes (probably, except for alkali granites). In the geologic evolution of Transbaikalia, the Late Paleozoic magmatism was postorogenic, but it was initiated and influenced by the mantle plume.
Relationship between platinum-bearing ultramafic–mafic intrusions and large igneous provinces (exemplified by the Siberian Craton)
Authors: Mekhonoshin A.S. , Ernst R. , Söderlund U. , Hamilton M.A. , Kolotilina T.B. , Izokh A.E. , Polyakov G.V. , Tolstykh N.D.
Published: May 2016

This study aims at summarizing available geological and geochemical data on known Proterozoic platinum-bearing ultramafic-mafic massifs in the south of Siberia. Considering new data on geochemistry and geochronology of some intrusions, it was feasible to compare ore-bearing complexes of different time spans and areas and to follow their relationships with the recognized large igneous provinces. In the south of Siberia, the platinum-bearing massifs might be united into three age groups: Late Paleoproterozoic (e.g., Chiney complex, Malozadoisky massif), Late Mesoproterozoic (e.g., Srednecheremshansky massif), and Neoproterozoic (e.g., Kingash complex, Yoko-Dovyren massif, and massifs in the center of the East Sayan Mts.). In most massifs but Chiney the initial magmas are magnesium-rich. On paleogeodynamic reconstructions, the position of the studied massifs is the evidence that three most precisely dated events in North Canada continued into southern Siberia: In the period 1880–1865 Ma, it was the Ghost–Mara River–Morel LIP; at 1270–1260 Ma, the Mackenzie LIP; and at 725–720 Ma, Franklin LIP. In Siberia, the mostly productive massifs with respect to PGE–Ni–Cu mineralization are those linked with the Franklin LIP: Verkhny Kingash, Yoko-Dovyren, and central part of the Eastern Sayan Mountains, e.g., Tartay, Zhelos, and Tokty-Oy.
Proactive Risk Assessment for Ebola-Infected Patients: A Systematic Approach to Identifying and Minimizing Risk to Healthcare Personnel
Authors: Fernandez Rosemarie , Mitchell Steven , Ehrmantraut Ross , Meschke John Scott , Simcox Nancy J. , Wolz Sarah A. , Parker Sarah Henrickson
Published: May 2016

Performing patient care while wearing high-level personal protective equipment presents risks to healthcare providers. Our failure mode effects analysis identified 81 overall risks associated with providing hygienic care and linen change to a patient with continuous watery stool. Implementation of checklists and scheduled pauses could potentially mitigate 76.5% of all risks.

Infect Control Hosp Epidemiol2016;37:867–871
The Freedom to Exclude: The Case of Israeli Society
Authors: Tamir Michal
Published: May 2016

The phenomenon of social exclusion in Israel is a vivid demonstration of the Basic Laws' failure to fulfil their integrative role. Despite the ‘constitutional revolution’ and the Supreme Court's ongoing endeavour over the last two decades to instil a bill of rights through its jurisprudence, Israeli society has failed to fully internalise values of equality. In terms of legal jargon, individuals continue to claim and exercise ‘sole and despotic dominion’ over their private property in order to avoid contact with individuals belonging to certain minority groups. In many cases, such behaviour in the private sphere results in exclusion from the public sphere.

This phenomenon is especially astonishing considering the fact that many laws in Israel apply the right of equality to the private sphere. Furthermore, the Israeli Supreme Court has developed comprehensive human rights jurisprudence applicable to the private sphere. The gap between the law in the books and the law in action illustrates that effective implementation of human rights in the private sphere cannot be achieved solely by specific legislation or by jurisprudence that is sensitive to human rights. This argument is backed by several recent bills which preserve and enforce the exclusion of minorities, particularly of Arabs, from the public sphere. These bills illustrate that exclusion is indeed a growing phenomenon in Israeli society that cannot be overlooked. Moreover, they underscore the urgent need to entrench a direct obligation to apply human rights to the private sphere at the constitutional level. This will be achieved only when Israel adopts a full constitution.
Regeneration rates of a sublittoral demosponge
Authors: Bell James J.
Published: May 2016

The effect of water flow rate on the regeneration rate of the temperate sponge Cliona celata was investigated at two sites experiencing fast and slight current flow respectively at Lough Hyne, Co. Cork, Ireland. Faster regeneration rates were found in sponges living in high current areas which may be due to an increased amount of potential food material per unit time and the possibility of entrained water flow.
Hydrobiological responses of the North Eastern Arabian Sea during late winter and early spring inter-monsoons and the repercussions on open ocean blooms
Authors: Padmakumar K. B. , Thomas Lathika Cicily , Vimalkumar K. G. , Asha Devi C. R. , Maneesh T. P. , Vijayan Anilkumar , Gupta G. V. M. , Sudhakar M.
Published: May 2016

Winter cooling and persistent mixing for more than a quarter of year (November to early March) along the North Eastern Arabian Sea (NEAS) results in nutrient enrichment of the euphotic column thereby triggering biological production. Hydrographic characteristics of NEAS during Late Winter Monsoon (LWM) and Early Spring Inter Monsoon (ESIM) and the influence on biological production are overviewed here. Winter convective mixing signatures were evident during LWM with low SST (24°C), high SSS (36.4), deep mixed layers (>100 m) and increased surface nitrate (~1 µM). Open ocean waters observed high chlorophylla(1–2 mg m−3) and microphytoplankton abundance (1.2–1.5 × 104cells l−1). Diatoms and greenNoctiluca scintillanswere the major microphytoplankton identified. ESIM observed gradual stabilization of water column with curtailment of winter signatures and strengthening ofNoctiluca scintillansblooms. Mesozooplankton biomass was higher during LWM and decreased towards ESIM with intensification ofNoctilucablooms. However during ESIM, abundance of gelatinous zooplankton occurred in the bloom region. Inter-annual variations were observed in the biological responses along with the hydrographic changes. Thus the convective process during winter monsoon and stabilization of the water column during ESIM plays a significant role in the production pattern of NEAS.
Disruption of ideal geometry in the growth of receptaculitids: a natural experiment in theoretical morphology
Authors: Gould Stephen Jay , Katz Michael
Published: May 2016

Facets of the Silurian receptaculitidIschadites barrandeiare arranged in circlets about a nucleus. They form a set of spirals, originally eight in number, but increasing by the intercalation of new facets (initiating new spirals) in later circlets. We have simulated the surficial geometry of this alga by assuming, as much evidence indicates, that facets are limited in final size and that new spirals must therefore be intercalated in order to cover the surface with a fully tesselated pattern. We use only five parameters in our simulation: nature of the surface (radius of a sphere), tightness of the spirals (assumed to be logarithmic) and rate of increase in facet width (three parameters of an equation fitted to actual data). The program draws facets in circlets and intercalates new ones whenever the sum of facet diameters is at least a facet less than the circumference of the circlet. By holding all but one parameter constant, we can test the influence of single factors upon the pattern of intercalation. We compare these figures with actual patterns of intercalation for eight specimens. Variation in tightness of the spiral seems to affect the pattern most radically—tight spirals intercalate fewer facets because new circlets stay near the pole of the sphere. The morphology of intercalation supports the interpretation of Rietschel (1969,contraNitecki, 1972 and Byrnes, 1968) that the nuclear circlets are the oldest part of the plant and that new circlets are generated at the opposite pole. Our simulation represents a basic pattern in nature, not a specific feature of receptaculitids. All structures that fill space with spirals and impose limits upon the size of individual units must add new spirals. Bryozoans subject to similar constraints but growing in a completely different way (peripheral growth in radial rows) display the same final pattern.
Genomic versus morphologic rates of evolution: influence of morphologic complexity
Authors: Schopf Thomas J. M. , Raup David M. , Gould Stephen Jay , Simberloff Daniel S.
Published: May 2016

The degree of perceived taxonomic change in various lineages may be directly related to their general morphologic complexity: more complex forms appear to change more rapidly. “Rates of evolution” as customarily reported by paleontologists may therefore be a poor indication of evolutionary changes in the underlying genome. Two approaches were used to examine this problem. (1) We have estimated the degree of morphologic complexity by using the number of descriptive terms per genus, and per family, for 12 major groups of animals. Three general levels of complexity occur: (i) gastropods, bivalves and ectoprocts have relatively few terms; (ii) echinoids, foraminiferans, ostracodes, nautiloids, corals, trilobites, and brachiopods have an intermediate number of terms; (iii) mammals and ammonoids appear to have a relatively large number of terms. These 3 levels of complexity also increase in rate of taxonomic turnover; i.e., an increasing rate of evolution. (2) Using a cluster analysis based on morphologic similarity, we grouped 200 lineages of a computer-generated phylogenetic sequence according to 4 phenetic bases: 3, 5, 10 and 20 morphologic traits. Groups based on a few characters are longer lived and are commonly polyphyletic in comparison with groups based on many characters. In both the real world and the computer simulation, the bias of differential morphologic complexity may account for the observation that “only complicated animals evolve.” Most paleontologic studies of the “rate of evolution” may tell us more about morphologic complexity than about evolutionary rates of genomes.
Succession and repetition of Late Ordovician fossil assemblages from the Nicolet River Valley, Quebec
Authors: Bretsky Peter W. , Bretsky Sara S.
Published: May 2016

Analysis of stratigraphically separated collections of Late Ordovician fossilized marine invertebrates suggests that our understanding of faunal changes through time may be enhanced by considering them in terms of a successional framework. The faunal succession in the Nicolet River Valley, St. Lawrence Lowlands, Quebec, began with the initial colonization of an offshore barren mud by two or three presumably opportunistic deposit-feeding species. Diversity, both of species and of trophic types, increased gradually, peaked, and then decreased slightly with some faunal shifts, especially in the numerical predominance of the epifaunal element. A three-fold repetition of this quiet-water succession seems in each case to have been terminated by an external physical perturbation. There also appears to be a second, separate successional sequence which became localized on a somewhat coarser-grained and perhaps less stable substratum as the paleoshoreline was approached, due to sediment filling of the basin.
Pragmatic inferences in context: learning to interpret contrastive prosody
Authors: KURUMADA CHIGUSA , CLARK EVE V.
Published: May 2016

Can preschoolers make pragmatic inferences based on the intonation of an utterance? Previous work has found that young children appear to ignore intonational meanings and come to understand contrastive intonation contours only after age six. We show that four-year-olds succeed in interpreting an English utterance, such as “It LOOKS like a zebra”, to derive a conversational implicature, namely [but it isn't one], as long as they can access a semantically stronger alternative, in this case “It's a zebra”. We propose that children arrive at the implicature by comparing such contextually provided alternatives. Contextually leveraged inferences generalize across speakers and contexts, and thus drive the acquisition of intonational meanings. Our findings show that four-year-olds and adults are able to bootstrap their interpretation of the contrast-marking intonation by taking into account alternative utterances produced in the same context.
Randomizing Patients without Consent: Waiver vs Exception from Informed Consent
Authors: Cole Jon B. , Ho Jeffrey D. , Biros Michelle H.
Published: May 2016

ColeJB, HoJD, BirosMH. Randomizing patients without consent: waiver vs exception from informed consent. Prehosp Disaster Med.2016;31(4):457–458.
Eicosapentaenoic acid attenuates dexamethasome-induced apoptosis by inducing adaptive autophagy via GPR120 in murine bone marrow-derived mesenchymal stem cells
Authors: Gao B , Han Y-H , Wang L , Lin Y-J , Sun Z , Lu W-G , Hu Y-Q , Li J-Q , Lin X-S , Liu B-H , Jie Q , Yang L , Luo Z-J
Published: May 2016

Long-term use of glucocorticoids is a widespread clinical problem, which currently has no effective solution other than discontinuing the use. Eicosapentaenoic acid (EPA), an omega-3 long chain polyunsaturated fatty acid (n-3 PUFA), which is largely contained in fish or fish oil, has been reported to promote cell viability and improve bone metabolism. However, little is known about the effects of EPA on dexamethasome (Dex)-induced cell apoptosis. In this study, we showed that EPA-induced autophagy of murine bone marrow-derived mesenchymal stem cells (mBMMSCs). Meanwhile, EPA, but not arachidonic acid (AA), markedly inhibited Dex-induced apoptosis and promoted the viability of mBMMSCs. We also observed that EPA-induced autophagy was modulated by GPR120, but not GPR40. Further experiments showed that the mechanism of EPA-induced autophagy associated with GPR120 modulation involved an increase in the active form of AMP-activated protein kinase and a decrease in the activity of mammalian target of RAPA. The protective effect of EPA on Dex-induced apoptosis via GPR120-meditated induction of adaptive autophagy was supported by in vivo experiments. In summary, our findings may have important implications in developing future strategies to use EPA in the prevention and therapy of the side effects induced by long-term Dex-abuse.
Strategies for structuring interdisciplinary education in Systems Biology: an European perspective
Authors: Cvijovic Marija , Höfer Thomas , Aćimović Jure , Alberghina Lilia , Almaas Eivind , Besozzi Daniela , Blomberg Anders , Bretschneider Till , Cascante Marta , Collin Olivier , de Atauri Pedro , Depner Cornelia , Dickinson Robert , Dobrzynski Maciej , Fleck Christian , Garcia-Ojalvo Jordi , Gonze Didier , Hahn Jens , Hess Heide Marie , Hollmann Susanne , Krantz Marcus , Kummer Ursula , Lundh Torbjörn , Martial Gifta , dos Santos Vítor Martins , Mauer-Oberthür Angela , Regierer Babette , Skene Barbara , Stalidzans Egils , Stelling Jörg , Teusink Bas , Workman Christopher T , Hohmann Stefan
Published: May 2016

Systems Biology is an approach to biology and medicine that has the potential to lead to a better understanding of how biological properties emerge from the interaction of genes, proteins, molecules, cells and organisms. The approach aims at elucidating how these interactions govern biological function by employing experimental data, mathematical models and computational simulations. As Systems Biology is inherently multidisciplinary, education within this field meets numerous hurdles including departmental barriers, availability of all required expertise locally, appropriate teaching material and example curricula. As university education at the Bachelor’s level is traditionally built upon disciplinary degrees, we believe that the most effective way to implement education in Systems Biology would be at the Master’s level, as it offers a more flexible framework. Our team of experts and active performers of Systems Biology education suggest here (i) a definition of the skills that students should acquire within a Master’s programme in Systems Biology, (ii) a possible basic educational curriculum with flexibility to adjust to different application areas and local research strengths, (iii) a description of possible career paths for students who undergo such an education, (iv) conditions that should improve the recruitment of students to such programmes and (v) mechanisms for collaboration and excellence spreading among education professionals. With the growing interest of industry in applying Systems Biology approaches in their fields, a concerted action between academia and industry is needed to build this expertise. Here we present a reflection of the European situation and expertise, where most of the challenges we discuss are universal, anticipating that our suggestions will be useful internationally. We believe that one of the overriding goals of any Systems Biology education should be a student’s ability to phrase and communicate research questions in such a manner that they can be solved by the integration of experiments and modelling, as well as to communicate and collaborate productively across different experimental and theoretical disciplines in research and development.