bluuebunny/crossref_metadata_2025 huggingface dataset:
Sociohydrology modeling for complex urban environments in support of integrated land and water resource management practices
Authors: Pan Haozhi , Deal Brian , Destouni Georgia , Zhang Yalei , Kalantari Zahra
Published: July 2018

This paper argues that a systems' thinking and explicit modeling approach is needed to address noted weaknesses (in terms of practicality and usefulness) in integrated water resource management. A process of coupling complex regional land use, economy, and water system interactions in integrated modeling is demonstrated with proof‐of‐concept applications to two urban cases (Chicago and Stockholm). In this uniquely coupled systems model, urban land use scenarios are considered a complex urban system represented by dynamic systems models of land use, economics, and water with a focus on urban environments that include drivers and system feedbacks with implications focused on urban water systems. The integrated model results reveal that the physical availability of land for economic activities (forecasted via a bottom‐up land use change model) and their locations differ sharply from top‐down sectoral‐based economic forecasts. This shows that both human systems (economic and land use planning) and natural systems (land use limitations and associated water implications) need to be considered in order to accurately account for system(s) impacts. For example, flood zone regulations divert land use to other locations, whereas land cover changes can greatly affect the water infiltration characteristics of land surfaces and thereby alter hydrological outcomes. Our results indicate that modeling social and natural processes using a systems approach can provide a more comprehensive understanding of coupled causal mechanisms, impacts, and feedbacks in applications of integrated water resource management.
Effect of multipurpose trees and shrubs on degraded mined‐out soil in a semi‐deciduous forest zone of West Africa
Authors: Osei‐Tutu Gabriel , Abunyewa Akwasi A. , Dawoe Evans K. , Agbenyega Olivia , Barnes Rex V.
Published: July 2018

Multipurpose trees and shrubs (MPTS) establishment plays important role in accelerating natural restoration and productivity of degraded soils for ecosystem stability, biological diversity, and most importantly for agricultural uses. Multipurpose tree plantation with a mixed stands of Leucaena leucocephala, Albizia zygia, Faidherbia albida, Acacia auriculiformis, Senna siamea, Azadiractha indica, and Gliricidia sepium was established to reclaim degraded mined‐out Ferric acrisol in a semi‐deciduous forest zone of Ghana, West Africa. The main aim of the study was to evaluate the effects of the age of MPTS on some physical and chemical properties of degraded mined‐out soil of the Oweri Mines Company, Ltd., Konongo (6°37′56.8″N, 1°13′39.02″W). The study determined soil total nitrogen (tN), soil organic carbon (SOC), acidity (pH), aluminum (Al), arsenic (As), and mercuric (Hg) contents and the relationship between these soil parameters. Soils were sampled at two depths: 0–30 and 30–60 cm from four different age groups of MPTS plantation: non‐reclaimed (NR), 5‐year‐old MPTS plantation, 10‐year‐old MPTS plantation, and adjacent undisturbed natural forest (NF). The pH, SOC, tN, Al, As, and Hg contents and bulk density were significantly influenced by age of MPTS plantation. The 10‐year‐old MPTS soil had 53%, and the NF soil had 57%, higher SOC than NR soil. Soil tN in the top 0–30 cm depth for the 5‐year‐old was 33%, 10‐year‐old MPTS was 59%, and the NF was 69%, higher than tN in the NR soil. Whereas soil pH had positive significant relationship with soil Hg and As, the reverse was observed with soil Al content.
Recommendations for Science Outreach Program Development: Perspectives from Gulf of Mexico Research Initiative Consortia
Authors: Beresford Sara , Fillingham Katie , Miller‐Way Tina
Published: July 2018

As efforts to fulfill “broader impacts” requirements increase, scientists are considering how to better communicate the societal impacts of their work. The Gulf of Mexico Research Initiative (GoMRI), an independent research program funded by BP following the Deepwater Horizon oil spill, dedicated significant resources to outreach at the program level, through partnerships, and at the research consortium level. Through this latter effort, consortia outreach coordinators reached a wide variety of audiences through many approaches and activities. Insights gained from this collective effort may be useful to others looking to integrate or improve upon existing outreach in their research programs. The following recommendations, based on perspectives shared by GoMRI outreach coordinators, discuss the development and implementation of successful outreach programs. (1) Involve outreach expertise at the proposal stage to ensure a realistic and effective plan develops. (2) Clearly define a strategic plan with focused and measurable objectives. (3) Explicitly define audiences and the best ways to reach them. (4) Capitalize on unique areas of research and team member skills; leverage opportunities where possible. (5) Budgets should reflect the outreach plan. (6) Evaluation metrics should be determined at the outset. (7) Effective communication is essential, both within and outside of the team.
Aggregation of Star Polymers: Complexation versus Segregation
Authors: Hebbeker Pascal , Plamper Felix A. , Schneider Stefanie
Published: July 2018

Complex‐forming copolymers (polymers whose monomeric units of different type attract each other) are often discussed to be a pathway to achieve self‐assembled structures, which differ from the classical micellization scheme. Here, coarse‐grained Monte Carlo simulations are performed to investigate the aggregation behavior of miktoarm star polymers/diblock copolymers, which are able to form complexes between the constitutional blocks. These results are compared with the corresponding polymers without complexation, but allowing segregation of one of the blocks (selective solvent scenario). By analyzing the radial distribution function and the effective polymer–polymer interaction the occurrence of aggregates is probed. While the segregating copolymers form larger aggregates, the complex‐forming copolymers are stable against aggregation up to concentrations in the order of the overlap concentration. These results are in line with former experimental findings.
Multi‐echo GRE‐based conductivity imaging using Kalman phase estimation method
Authors: Ryu Kanghyun , Shin Jaewook , Lee Hongpyo , Kim Jun‐Hyeong , Kim Dong‐Hyun
Published: July 2018

Purpose

To obtain in vivo electrical conductivity images from multi‐echo gradient‐echo (mGRE) sequence using a zero‐TE phase extrapolation algorithm based on the Kalman method.

Methods

For estimation of the zero‐TE phase from the mGRE data, an iterative algorithm consisting of a combination of the Kalman filter, Kalman smoother, and expectation maximization was implemented and compared with linear extrapolation methods. Simulations were performed for verification, and phantom and in vivo studies were conducted for validation.

Results

Compared with the conventional method that linearly extrapolates the zero‐TE phase from the mGRE data, the phase estimation of the proposed method was more stable in situations in which nonlinear phase evolution exists. Numerical simulation results showed that the stability is guaranteed under various nonlinearity levels. Phantom study results show that this method provides improved conductivity imaging compared with the conventional methods. In vivo results demonstrate conductivity images similar to spin echo–based conductivity images with the added benefit of the acquisition of susceptibility images when using mGRE.

Conclusion

The proposed method improves zero‐TE phase extrapolation, especially in regions of nonlinear phase evolution. Improved conductivity imaging using mGRE can be performed.
Relaxometry and quantification in simultaneously acquired single and triple quantum filtered sodium MRI
Authors: Worthoff Wieland A. , Shymanskaya Aliaksandra , Shah N. Jon
Published: July 2018

Purpose

Sodium imaging delivers valuable information about in vivo metabolism and pathophysiology. Image quantification can benefit the diagnosis and characterization of existing pathologies and the clinical course of a disease. An enhanced SISTINA sequence is proposed for sodium imaging and for the estimation of sodium tissue parameters for a 2‐compartment model of the brain, such as relaxation times in intracellular space and tissue, intracellular volume fraction, and intracellular molar fraction. The aim of the research is to demonstrate how a 2‐compartment model can be parameterized to sufficiently describe tissue sodium concentrations and dynamics by performing relaxometry with such a sequence.

Methods

Multiple quantum filtered sodium signals were detected using an enhanced SISTINA sequence (consisting of 3 consecutive RF pulses) by placing a readout train between the first and second RF pulse, and 1 after the third pulse. Semiautomatic segmentation using singular value decomposition and manual segmentation was applied to the images.

Results

Analysis was performed on 40 healthy volunteers in a 4T scanner, yielding bi‐exponential relaxation times of brain tissue, intracellular sodium molar and volume fraction, intracellular sodium concentration, as well as sodium tissue concentration in the scope of a considered model. Two models with either purely mono‐exponential or bi‐exponential relaxing extracellular sodium were used with and without a potential contribution of triple quantum‐filtered signal from extracellular space.

Conclusion

An estimation of relaxation properties and concentrations limited to the assumed model is possible from a single sequence. The achieved results agree well with those reported in literature.
Physical Characteristics Influencing Nearshore Habitat Use by Juvenile Chinook Salmon in the Sacramento River, California
Authors: Hellmair Michael , Peterson Matthew , Mulvey Brian , Young Kip , Montgomery John , Fuller Andrea
Published: July 2018

Urban and agricultural development has resulted in drastically modified riverine corridors that are often considered to be detrimental to the recovery of anadromous salmonid populations. Although mitigation features (e.g., large wood and shallow-water areas) are frequently incorporated in flood control infrastructure to offset the impacts of streambank stabilization, little is known regarding their effectiveness and the habitat characteristics associated with enhanced nearshore rearing conditions in large rivers. We evaluated two measures of habitat use by emigrating juvenile Chinook Salmon Oncorhynchus tshawytscha relative to different shoreline types (rock revetment [riprap], mitigated, and natural) and analyzed associations between environmental characteristics and habitat occupancy using a large number of presence/absence samples in the lower Sacramento River, California. We found both measures of habitat use to be significantly higher at natural shorelines and those including mitigation features than at shorelines consisting predominantly of rock revetment. A predictive logistic regression model suggested that the density of woody material and inundated terrestrial vegetation, depth, and substrate type significantly affected habitat occupancy. Despite a moderate predictive capability (62% of correctly classified records in a leave-one-out simulation), the model was useful in identifying habitat characteristics associated with significantly increased habitat use in this large, low-gradient river, most notably the presence of instream cover (wood or vegetation), gently sloping streambanks, fine substrate, and variable nearshore current velocity. Conversely, habitat occupancy by juvenile Chinook Salmon diminished with large, rocky substrate and increased depth, characteristics favored by introduced predatory Smallmouth Bass Micropterus dolomieu. This study illustrates the value of incorporating mitigation features and identifies characteristics that enhance habitat use by emigrating juvenile Chinook Salmon.
Prenatal myelomeningocele repair improves urinary continence and reduces the risk of constipation
Authors: Pastuszka Agnieszka , Bohosiewicz Janusz , Koszutski Tomasz
Published: July 2018

Aims

The aim of the study was to evaluate the lower urinary tract function, frequency UTI, the degree of social urine continence, and the occurrence of constipation in children who underwent prenatal or postnatal surgery for MMC.

Materials and Methods

Seventy‐two patients with MMC were assessed and divided into the prenatal group (36 patients) and the postnatal one (36 patients). All children, regardless the time of operation, received the same treatment after birth. The urodynamic tests, USG, cystourethrography were performed in all patients along with evaluation of the UTI's, social urine continence, and presence of constipation.

Results

Urodynamic and imaging studies showed no differences between the test groups. Children from the prenatally operated group showed statistically significant lower number of urinary tract infections, better urine continence, and less frequent constipation.

Conclusions

Prenatal MMC repair ensures statistically significant improvement of the degree of social urinary continence, reducing the risk of urinary infections and constipation. Time of MMC repair does not statistically influence the urodynamic tests results and the urodynamic parameters are not the prognostic elements to assess the social urinary continence possibility in patients with the neurogenic bladder.
Wangga: The Linguistic and Typological Evidence for the Sources of the Outrigger Canoes of Torres Strait and Cape York Peninsula
Authors: Wood Ray
Published: July 2018

How an isolate distribution of the Austronesian outrigger canoe complex came into the possession of Pama‐Nyungan speakers of Cape York Peninsula and Torres Strait has long been obscured by the diverse typology and lexicons of these canoes. Here I pinpoint links between the typological variation and the distribution and ages of associated Austronesian loan words. These links implicate several Austronesian contact sequences, one in Torres Strait and another in southeast Cape York Peninsula, and point to speakers of Papuan Tip Oceanic languages as the main source. Some of these loan words reflect archaic forms of Papuan Tip words and are thus indicative of early contact dates. I suggest that the introduction of these canoes most likely involved past episodes of sustained trade engagement and/or small‐scale colonization by speakers of Austronesian languages.
The interaction between carcinoembryonic antigen‐related cell adhesion molecule 6 and human epidermal growth factor receptor 2 is associated with therapeutic efficacy of trastuzumab in breast cancer
Authors: Iwabuchi Erina , Miki Yasuhiro , Kanai Ayako , Miyashita Minoru , Kijima George , Hirakawa Hisashi , Suzuki Takashi , Ishida Takanori , Sasano Hironobu
Published: July 2018

Human epidermal growth factor receptor 2 (HER2) is a target of the HER2 inhibitor trastuzumab, which has been administered to HER2‐positive breast cancer patients. However, the therapeutic effects of HER2 inhibitor monotherapy are not always clinically effective as compared with cotreatment with chemotherapy. Therefore, it has become pivotal to predict the therapeutic efficacy of trastuzumab monotherapy prior to administration. Recently, carcinoembryonic antigen‐related cell adhesion molecule 6 (CEACAM6) has been reported to be a HER2‐related factor. The aim of the present study was to explore the therapeutic mechanism of trastuzumab, including the relevance of CEACAM6 expression. CEACAM6/HER2‐double‐positive human breast carcinoma cell lines BT‐474, HCC‐1419 and MDA‐MB‐361 were used in this study. CEACAM6 knockdown decreased the inhibitory effects of trastuzumab in the trastuzumab‐sensitive BT‐474 and HCC‐1419 cells, but not in the trastuzumab‐resistant MDA‐MB‐361 cells. We examined the interaction between CEACAM6 and HER2 by using a proximity ligation assay (PLA). The interaction was detected in BT‐474 and HCC‐1419 cells, but not in MDA‐MB‐361 cells, and was significantly associated with in vitro trastuzumab therapeutic sensitivity. We further analysed the status of CEACAM6 and HER2 and their interaction in archival pathology specimens, also using PLA. The interaction was detected only in CEACAM6/HER2‐double‐positive breast cancer cases, and their PLA score was significantly associated with the efficacy of trastuzumab treatment. Therefore, evaluation of the CEACAM6–HER2 interaction could serve as a marker to predict the efficacy of trastuzumab monotherapy in breast cancer patients. Copyright © 2018 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Using Stepwise Pharmacogenomics and Proteomics to Predict Hepatitis C Treatment Response in Difficult to Treat Patient Populations
Authors: Naggie Susanna , Clement Meredith , Lusk Sam , Osinusi Anu , Himmel Tiffany , Lucas Joseph E. , Thompson Will J. , Dubois Laura , Moseley M. Arthur , Clark Paul J. , Kottilil Shyam , Patel Keyur
Published: July 2018

Purpose

In the interferon era of hepatitis C virus (HCV) therapies, genotype/subtype, cirrhosis, prior treatment failure, sex, and race predicted relapse. Our objective is to validate a targeted proteomics platform of 17 peptides to predict sustained virologic response (SVR).

Experimental design

Stored plasma from three, open‐label, trials of HIV/HCV‐coinfected subjects receiving interferon‐containing regimens is identified. LC‐MS/MS is used to quantitate the peptides directly from plasma, and IL28B genotyping is completed using stored peripheral blood mononuclear cells (PBMC). A logistic regression model is built to analyze the probability of SVR using responders and nonresponders to interferon‐based regimens.

Results

The cohort (N = 35) is predominantly black (51.4%), male (86%), and with median age 48 years. Most patients achieve SVR (54%). Using multivariable models, it is verified that three human corticosteroid binding globulin (CBG) peptides are predictive of SVR in patients with the unfavorable IL28B genotypes (CT/TT). The model performs better than IL28B alone, with an area under the curve of 0.870.

Conclusions and clinical relevance

In HIV/HCV‐coinfected patients, three human CBG peptides that accurately predict treatment response with interferon‐based therapy are identified. This study suggests that a stepwise approach combining a genetic predictor followed by targeted proteomics can improve the accuracy of clinical decision‐making.
Postoperative rehabilitation of simultaneous rupture of anterior cruciate ligament and patellar ligament: A case report
Authors: Pérez Joaquín , Novoa Gabriel Adrián , Pierobon Andrés , Soliño Santiago , Calvo Delfino Melina , Sajfar Malka Eugenia , Carmody Candela , Vuoto Tomas , Dorado Javier Hernán , Salzberg Sandra
Published: July 2018

Introduction

The simultaneous rupture of anterior cruciate ligament (ACL) and patellar ligament (PL) is an infrequent condition. Each isolated injury has surgical techniques and rehabilitation protocols that differ widely among each other. Nonetheless, there is no established physical rehabilitation approach when both injuries are associated.

Objective

The aim of this report is to describe the rehabilitation and the outcomes obtained in the postoperative period of simultaneous rupture of ACL and PL and the follow‐up period.

Case Report

A 21‐year‐old male patient suffered the rupture of ACL and PL after landing from a jump while playing soccer. The knee was immediately immobilized, and 10 weeks later, he was operated in a one‐stage surgery. He initiated his rehabilitation 3 weeks after the surgical resolution. A three‐times a week rehabilitation was implemented to restore range of motion and improve functional status. An extensive evaluation was carried out monthly using dynamic neuromuscular tests and self‐reported questionnaires.

Results

At the end of the rehabilitation, he presented a complete extension and 130° of knee flexion in passive open kinetic chain. The Single Leg Squat and Landing Error Scoring System showed a good performance, while the Star Excursion Balance Test and the single hops assessments were symmetrical. The International Knee Documentation Committee and Lower Extremity Functional Scale questionnaires yielded values of 90.8% and 77 points, respectively.

Conclusion

An approach based on mobility exercises and strengthening of the lower limbs and the core muscles, considering the biological healing times of each particular structure, made it possible to obtain satisfactory results in mobility, functional tests, self‐reported questionnaires, and patient's satisfaction.
Adaptation of the bound intrinsically disordered protein YAP to mutations at the YAP:TEAD interface
Authors: Mesrouze Yannick , Bokhovchuk Fedir , Izaac Aude , Meyerhofer Marco , Zimmermann Catherine , Fontana Patrizia , Schmelzle Tobias , Erdmann Dirk , Furet Pascal , Kallen Joerg , Chène Patrick
Published: July 2018

Many interactions between proteins are mediated by intrinsically disordered regions (IDRs). Intrinsically disordered proteins (IDPs) do not adopt a stable three‐dimensional structure in their unbound form, but they become more structured upon binding to their partners. In this communication, we study how a bound IDR adapts to mutations, preventing the formation of hydrogen bonds at the binding interface that needs a precise positioning of the interacting residues to be formed. We use as a model the YAP:TEAD interface, where one YAP (IDP) and two TEAD residues form hydrogen bonds via their side chain. Our study shows that the conformational flexibility of bound YAP and the reorganization of water molecules at the interface help to reduce the energetic constraints created by the loss of H‐bonds at the interface. The residual flexibility/dynamic of bound IDRs and water might, therefore, be a key for the adaptation of IDPs to different interface landscapes and to mutations occurring at binding interfaces.
A Regression Approach to Visual Predictive Checks for Population Pharmacometric Models
Authors: Jamsen Kris M. , Patel Kashyap , Nieforth Keith , Kirkpatrick Carl M. J.
Published: July 2018

A visual predictive check (VPC) is a common diagnostic procedure for population pharmacometric models. Typically, VPCs are generated by specifying intervals, or “bins”, of an independent variable (e.g., time). However, bin specification is not always straightforward and the choice of bins may affect the appearance, and possibly conclusions, of VPCs. The objective of this work was to demonstrate how regression techniques can be used to derive VPCs and prediction‐corrected VPCs (pcVPCs) for population pharmacometric models. This alternative approach negates the need for empirical bin selection. The proposed method utilizes local and additive quantile regression. Implementation is straightforward and computationally acceptable. This work provides support for deriving VPCs and pcVPCs via regression techniques.
Transmission of the Relativistic Fermions With the Pseudospin Equal to One Through the Quasi‐Periodic Barriers
Authors: Korol Anatoly M. , Medvid Natalia V. , Sokolenko Anatoly I.
Published: July 2018

The focus of our work is to explore quasiparticle transmission through the quasi‐periodic superlattices based on the Lieb lattice, in which the fermion pseudo‐spin equals 1. We are the first to calculate and analyze the transmission spectra (quasiparticle transmission dependences on their energy) for such structures. The quasi‐periodic modulation is created with the help of the external electrostatic potential in the form of the rectangular barriers located along the axis of the superlattice. Our observations provide that the effective Fibonacci modulation is achieved by the alternation of the potential barriers heights in the various elements of the superlattice. For massless fermions, the quasi‐periodic modulation takes place under the conditions of the oblique incidence of the particles. For massive fermions, the quasi‐periodic modulation is observed both for the oblique and the normal incidence. Besides, we define the special importance of a super Klein tunneling band in the transmission spectra. The present study provides a thorough analysis of the transmission spectra dependence on the parameters of the problem. The conductivity of the structure considered is also analyzed. For a definite parameter set, the transmission spectra values for pseudospin‐1 fermions (Lieb lattice) and those of pseudospin‐1/2 (graphene) coincide. Our findings may have useful implications in the development of nanoelectronic devices based on the Lieb lattice.
Axisymmetric balance dynamics of tropical cyclone intensification: Diabatic heating versus surface friction
Authors: Smith Roger K. , Wang Shanghong
Published: July 2018

The evolution of an idealized tropical‐cyclone‐like vortex forced by a prescribed distribution of diabatic heating rate and near‐surface frictional force is studied using a recently developed, prognostic, axisymmetric balance model. Starting with a prescribed tangential wind field, a series of calculations is carried out in which the strength of the diabatic heating rate is varied while keeping the formulation for the frictional force the same. When the strength of the heating rate falls below a certain value, the secondary circulation it generates is no longer able to oppose the tendency of the boundary layer to produce a layer of outflow in the lower troposphere, above the boundary layer. In these circumstances, this net outflow advects absolute momentum surfaces outwards above the boundary layer and the tangential velocity there declines. In the balance model, and presumably in reality, intensification of the tangential velocity requires the diabatic heating rate to be strong enough to ventilate the inflow in the frictional boundary layer, thereby averting frictionally induced outflow just above the boundary layer. In reality, the strength and location of diabatic heating will be strongly influenced by the boundary‐layer dynamics and thermodynamics, a coupling not present in the current model formulation.
Influenza infection presenting with pulmonary congestion: influenza myocarditis
Authors: Yamasaki Masahiro , Okada Takenori , Sumimoto Yoji , Hattori Noboru
Published: July 2018

Key message

Influenza myocarditis is a rare but life‐threatening complication of influenza infection. Pneumonitis is a well‐known complication of influenza infection, and chest computed tomography (CT) is useful for diagnosing pneumonitis. In addition, myocarditis should be considered in cases of pulmonary congestion observed on chest CT.
Phenology and climate change in Africa and the decline of Afro‐Palearctic migratory bird populations
Authors: Beresford Alison E. , Sanderson Fiona J. , Donald Paul F. , Burfield Ian J. , Butler Adam , Vickery Juliet A. , Buchanan Graeme M.
Published: July 2018

The populations of many Afro‐Palearctic migratory bird species have declined over the last 50 years, for reasons that remain poorly understood, but which could include major environmental changes in Africa. We mapped, for the first time, the aggregated population trends of migratory species onto their non‐breeding distributions in sub‐Saharan Africa and used regression models that account for non‐stationarity to examine correlations between assemblage population trend indices and changes in climate and vegetation phenology over the same time period. This also allowed us to map geographical variation in these relationships across Africa. Our results revealed that relationships between population trends of migrant bird species and climate and phenology are spatially highly variable, and that there are no consistent, flyway‐wide associations between climate or phenology and population trends. However, we found evidence that migrant population changes may be more closely linked to indices of vegetation senescence and climate than to indices of greening, suggesting further lines of investigation. Simply using cumulative Normalised Difference Vegetation Index (NDVI) across Africa greatly underestimates the extent to which phenology and climate vary spatially, as do the relationships between population trends and these environmental variables. Furthermore, much better data on the nonbreeding ecology and distributions of migrants, including connectivity between breeding and wintering grounds, are needed if we are to assess with any confidence the extent to which they may be impacted by changes in environmental conditions in Africa. Until then, we suggest that there is no simple relationship between migrant populations and NDVI across species’ ranges, and that further studies should, at the very least, consider the multiple dimensions of phenology and the potential for spatial variation in relationships.
Synthesis of 2‐[1H‐indol‐2‐yl(1H‐indol‐3‐yl)methyl]phenol and Its Application in Aqueous Rechargeable Lithium‐Ion Batteries
Authors: Rajshekar Shetty Vijeth , Kumar Anil , Shivappa Suresh Gurukara , Mahadevan Kittappa Malavalli
Published: July 2018

The present work focuses on a novel synthetic approach for a bis‐Indole derivative and its applications in energy storage devices. Here, an aqueous rechargeable lithium ion battery (ARLIB) with organic active material electrodes of inexpensive and sustainable, bis‐indole derivative called 2‐[1H‐indol‐2‐yl(1H‐indol‐3‐yl)methyl]phenol (b‐IMP) and Lithiated quinizarin (Li‐QZ) are used as cathode and anode respectively in saturated Li2SO4supporting electrolyte. The electrochemical activities of these organic redox active materials are studied using cyclic voltammetry, galvanostatic charge potential limit and potentiostatic electrochemical impedance spectroscopy methods. The cell b‐IMP | Sat. Li2SO4 | Li‐QZ has delivered an exceptionally better cell‐voltage of 0.7 V with a discharge capacity of 292 mA h g−1 with 92% columbic efficiency even after 300 cycles. The cell comprises of b‐IMP and Li‐QZ as cathode and anode materials respectively, which exhibits remarkable cyclizability with good discharge capacity and thus signifies a major advance in organic ARLIBs.
Carbon Fibers Obtained from Flax and Their Adsorption Performance in the Removal of Cu(II) and Co(II) from Aqueous Solutions
Authors: Fronczak Maciej , Kowalik Marlena , Bystrzejewski Michał
Published: July 2018

The systematic studies on oxidation of carbon fibers with nitric acid are presented. The carbon fibers were synthesized from the low‐cost and natural stock (flax fibers) via the controlled carbonization. The non‐oxidized and surface oxidized carbon fibers were thoroughly characterized by means of electron microscopy, FT‐IR spectroscopy, thermogravimetry, point of zero charge determination, Boehm titration and nitrogen adsorption at 77K. The second part of this work was focused on the evaluation of adsorption properties of oxidized carbon fibers and their potential in the removal of copper(II) and cobalt(II) ions from aqueous solutions. The obtained results bring a conclusion that the concentration of nitric acid is a key parameter which drives the content of oxygen surface groups, thermal stability and adsorption performance of carbon fibers. The obtained oxidized carbon fibers were found to be prospective adsorbents of CuII and CoII from aqueous solutions.
Facile Fabrication of Flower‐Like C@α‐Mo2C Hybrids with Enhanced Energy Storage Properties
Authors: Hu Fang , Liu Zhiming , Yue Chuang , Xiang Juan , Song Taeseup
Published: July 2018

A unique flower‐like nanocomposite composed of molybdenum carbide (α‐Mo2C) nanodots embedded in carbon nanosheets has been successfully constructed by calcining an organic‐inorganic hybrid (C@α‐Mo2C), flower‐like nanocomposite based on a reaction between MoOx and dopamine. This novel hierarchical structure offers sufficient contact area with the electrolyte, short diffusion pathways for lithium (sodium) ions and electrons (2‐dimensional (2‐D) nanosheets and 0‐dimensional (0‐D) α‐Mo2C nanodots), and a carbon matrix for good conductivity and structural stability. Benefiting from these structural merits, the C@α‐Mo2C hybrid shows excellent electrochemical performance in both LIBs and SIBs. Moreover, it provides an effective strategy to construct hierarchical structures for molybdenum‐based electrode materials with improved electrochemical performance in energy storage devices.
A New Metallic Porous Carbon Phase tP‐C12 with an sp2‐sp3 Bonding Network: A First‐Principle Calculation
Authors: Xu Yanheng , Hu Menglei , Wang Ziao , Liang Jiechun , Li Jiagen , Zhu Xi , Wang Min
Published: July 2018

A new carbon porous allotrope is investigated by the first principle calculations. The allotrope consists of 12 atoms in a tetragonal cell and displays a
symmetry (termed as tP−C12 carbon) with a mass density of 2.18 g/cm3. Its phonon dispersion possessing no imaginary frequency indicates that tP−C12 is dynamically stable. Furthermore, its elastic constants also demonstrate the mechanical stability. Its bulk modulus is 181 GPa. The electronic band structure reveals that it is a metallic phase. X‐ray diffraction patterns and Raman spectra are also theoretically calculated to provide more characterizations for future experimental observations. Due to its porous and metallic properties, this new carbon allotrope may possess hydrogen storage and catalysis application.
An Electrochemical Sensor Based on an Ionic Liquid Covalently Functionalized Graphene Oxide for Simultaneous Determination of Copper (II) and Antimony (III)
Authors: Tian Xia , Tan Zhengwei , Zhang Zaizhen , Zhan Tianrong , Liu Xien
Published: July 2018

Graphene oxide (GO) was chemically grafted by ionic liquid (IL) containing amino groups for preparation of IL covalently functionalized GO (IL–CFGO). SEM, FTIR and XRD results confirmed that IL had been successfully anchored on GO surface, resulting in more active sites and higher conductivity. The IL–CFGO composite was coated on the surface of carbon IL electrode (CILE) to construct electrochemical sensor for simultaneous detection of Cu(II) and Sb(III). The experimental factors including pH, deposition time and potential were optimized. Differential pulse voltammetry was employed for the simultaneous determination of Cu(II) and Sb(III) under the optimal conditions. The IL–CFGO/CILE exhibited the wide linear ranges of 0.1∼28 μM for Cu(II) and 0.1∼20 μM for Sb(III) with detection limits of 0.04 and 0.06 μM, respectively. The proposed sensor displayed good reproducibility, selectivity and acceptable stability owing to the contributions of the more active sites and the enhanced conductivity.
[3+2] Cycloaddition Reaction of C‐Phenyl‐N‐methyl Nitrone to Acyclic‐Olefin‐Bearing Electron‐Donating Substituent: A Molecular Electron Density Theory Study
Authors: Domingo Luis R. , Acharjee Nivedita
Published: July 2018

The [3+2] cycloaddition (32CA) reactions of C‐phenyl‐N‐methyl nitrone to acyclic olefins bearing electron donating and weak electron withdrawing groups lead to complete ortho regioselectivity. The experimentally observed ortho selectivity can be rationalized from the activation energies of the located transition states at DFT/MPW1PW91/6‐311G(d,p) level of theory. The reaction of this nitrone to ethyl vinyl ether is predicted to be non‐polar by global electron density transfer (GEDT) calculations. Bonding evolution theory (BET) study led to topological characterization of the reaction pathway into different phases and indicated initial rupture of the olefinic double bond followed by the formation of pseudoradical centres and earlier formation of C−C bond. Quantum theory of atoms in molecules (QTAIM) study of electron density was performed for (3,–1) critical points at the region near the forming C−C and C−O bonds and was found to be in complete agreement with the Electron localization function (ELF) topological analysis. Electrostatic potential surface study for the transition states indicated greater mutual penetration distances of C−C forming bond compared to the C−O forming bond.
SERS of Trititanate Nanotubes: Selective Enhancement of Catechol Compounds
Authors: Liu Ruochen , Morris Edmund , Cheng Xiaorong , Amigues Eric , Lau Kim , Kim Baekman , Liu Yuanhang , Ke Zhipeng , Ashbrook Sharon E. , Bühl Michael , Dawson Graham
Published: July 2018

The surface enhanced Raman scattering of trititanate nanotubes (TiNT) modified with enediol ligands was investigated and it was found that the functional group dramatically affects the enhancement observed. For TiNT‐4‐nitrocatechol, a SERS enhancement is seen; however, when dopamine is attached, no signal is seen. The relative band gap positions upon 785 nm laser excitation are proposed to explain the observed phenomenon. This attachment is investigated by solid state NMR and UV/Vis spectroscopy and supported by DFT calculations to offers further insights into catechol coatings of nanomaterials and SERS by the chemical method. We expect this non noble metal containing composite material to have applications in bioimaging and bio and chemical detection.
Novel Photo‐ and Thermo‐Responsive Host‐Guest Compounds Derived from Ethyl Viologen Cations
Authors: Liu Jinjian
Published: July 2018

The self‐assembly reaction of TM(NO3)2 (TM=Co, Ni), benzenedicarboxylic acid (H2BDC), and ethyl viologen cations leads to two novel host‐guest compounds (EV)[Co(H2O)6](p‐BDC)2⋅4H2O (1) and {(EV)[Ni3(m‐BDC)4]}n (2), (p‐H2BDC=1,4‐benzenedicarboxylic acid, m‐H2BDC=1,3‐benzenedicarboxylic acid, EV2+=1,1’‐bis(ethyl)‐4,4’‐bipyridinium dication). Compound 1 is a host‐guest supramolecule consisting of one EV2+ cation, one [Co(H2O)6]2+ cation, two uncoordinated deprotonated p‐BDC2− anions and four free H2O molecules, which exhibits electron‐transfer (ET) photochromism and thermochromism through dehydration and rehydration. Furthermore, 1 can exhibit a secondary ET photochromism after thermal stimuli. Compound 2 is constructed by the combination of ethyl viologen guest molecule and a highly stable [Ni3(m‐BDC)4]n host MOF, displaying both photo‐ and thermo‐induced electron transfer reaction. The different packing modes of the donor and acceptor blocks between 1 and 2 lead to the different chromic properties.
Structural Elucidation of Covalent Organic Polymers (COP) and Their Linker Effect on Gas Adsorption Performance via Density Functional Theory Approach
Authors: Aparicio Santiago , Yavuz Cafer T. , Atilhan Mert
Published: July 2018

Investigation of the binding affinity gases on porous adsorbents are important for establishing understanding of effective carbon dioxide adsorption and design target specific sorbents for capturing hazardous gases for environmental protection and fuel upgrading. A Density Functional Theory (DFT) study that highlights the impact of covalent organic polymer (COP) design has been conducted to explain the molecular and electronic structure, investigate the interaction sites and elucidate the experimental findings on carbon dioxide (CO2) and nitrogen (N2) sorption on these porous structures. DFT calculations were used to infer the details of the type and the strength of the polymer – gas interaction modes at various interaction sites as well as to quantify short‐range interactions between the polymer – gas via topological characteristics analysis of intermolecular forces. Results obtained in this study were used to shed light on CO2and N2affinity of the studied polymer structures; interpretations regarding to the macroscopic behaviors were discussed and conclusions were attained on the characteristics of the adsorption type and mechanism.
Porous Gold Nanoshells on Functional NH2‐MOFs: Facile Synthesis and Designable Platforms for Cancer Multiple Therapy
Authors: Liu Chuang , Luo Lijia , Zeng Leyong , Xing Jie , Xia Yuanzhi , Sun Shan , Zhang Luyun , Yu Zhe , Yao Junlie , Yu Zhangsen , Akakuru Ozioma Udochukwu , Saeed Madiha , Wu Aiguo
Published: July 2018

AuroShell nanoparticles (sealed gold nanoshell on silica) are the only inorganic materials that are approved for clinical trial for photothermal ablation of solid tumors. Based on that, porous gold nanoshell structures are thus critical for cancer multiple theranostics in the future owing to their inherent cargo‐loading ability. Nevertheless, adjusting the diverse experimental parameters of the reported procedures to obtain porous gold nanoshell structures is challenging. Herein, a series of amino‐functionalized porous metal–organic frameworks (NH2‐MOFs) nanoparticles are uncovered as superior templates for porous gold nanoshell deposition (NH2‐MOFs@Aushell) by means of a more facile and general one‐step method, which combines the enriched functionalities of NH2‐MOFs with those of porous gold nanoshells. Moreover, in order to illustrate the promising applications of this method in biomedicine, platinum nanozymes‐encapsulated NH2‐MOFs are further designed with porous gold nanoshell coating and photosensitizer chlorin e6 (Ce6)‐loaded nanoparticles with continuous O2‐evolving ability (Pt@UiO‐66‐NH2@Aushell‐Ce6). The combination of photodynamic and photothermal therapy is then carried out both in vitro and in vivo, achieving excellent synergistic therapeutic outcomes. Therefore, this work not only presents a facile strategy to fabricate functionalized porous gold nanoshell structures, but also illustrates an excellent synergistic tumor therapy strategy.
Nanostructured Copper‐Based Electrocatalysts for CO2 Reduction
Authors: Gu Zhengxiang , Shen Hao , Shang Longmei , Lv Ximeng , Qian Linping , Zheng Gengfeng
Published: July 2018

The continuous increase of CO2 concentration in the atmosphere has been imposing an imminent threat for global climate change and environmental hazards. In recent years, the electrochemical or photochemical conversion of CO2 into value‐added chemicals or fuels has received significant attention, as it may enable an attractive means to mitigate the atmospheric CO2 concentration and complete the imbalanced carbon‐neutral energy cycle, as well as create renewable energy resources for human use. Among the different electrocatalysts being studied, Cu‐based materials have been demonstrated as the only category of candidates that allows the conversion of CO2 into a variety of reducing products, including carbon monoxide, hydrocarbons, and alcohols. Herein, the reaction pathways for different Cu‐based catalysts for C1 and C2+ products are introduced. Then, different parameters in tuning Cu‐based electrocatalysts are summarized and discussed, including the morphologies, compositions, crystal facets, and oxide derivation. In addition, various types of parameters for CO2 electroreduction are also described, particularly the option of electrolytes such as aqueous, ionic liquids, and organic solutions. Finally, the current challenges are discussed and the potential strategies to facilitate the future development of CO2 electroreduction are summarized.
Trophic Ecology of Lahontan Cutthroat Trout: Historical Predator–Prey Interaction Supports Native Apex Predator in a Unique Desert Lake
Authors: Heredia Nicholas A. , Budy Phaedra
Published: July 2018

Pyramid Lake, Nevada, remains one of the last strongholds for lacustrine‐strain Lahontan Cutthroat Trout Oncorhynchus clarkii henshawi (LCT) following historical declines throughout their native range. Historically the apex predator in this aquatic ecosystem, LCT in Pyramid Lake are now entirely dependent on hatchery programs and are potentially threatened by the introduction of a nonnative piscivore. The purpose of this study was to identify strong food web interactions and potential trophic limitations to the LCT population. Our specific objectives were to estimate seasonal foraging patterns, trophic position (TP), trophic niche space, diet composition, and seasonal depth distributions of LCT relative to prey fish. Additionally, we evaluated the potential for competition between LCT and nonnative, piscivorous Sacramento Perch Archoplites interruptus by examining diet overlap and trophic niche space. Our results indicate that LCT are apex predators, with TP (large [>400 mm TL] LCT: TP [mean ± 1.96·SE] = 4.30 ± 0.04) and diet composition indicating high rates of piscivory (average annual rate of piscivory = 77.1% for large LCT) throughout the year. Small (200–400 mm TL) LCT exhibited weak dietary overlap (Schoener's index = 0.55) and large LCT exhibited strong overlap (Schoener's index = 0.72) with Sacramento Perch. These trends were present despite seasonal changes in distribution and catch of Tui Chub Siphateles bicolor, the primary prey of LCT. Analysis of isotopic niche space also indicated strong overlap between the trophic niche of large LCT (89%) and that of Sacramento Perch; however, overall catch rates of Sacramento Perch were low. Despite the presence of a potential nonnative competitor, LCT demonstrate high rates of piscivory and are not negatively influenced by Sacramento Perch. Overall, these results demonstrate how trophic niche ecology can be used to evaluate key food web interactions in anthropogenically altered ecosystems.
Data, concepts and methods for large‐n comparative climate change adaptation policy research: A systematic literature review
Authors: Biesbroek Robbert , Berrang‐Ford Lea , Ford James D. , Tanabe Andrew , Austin Stephanie E. , Lesnikowski Alexandra
Published: July 2018

Climate change adaptation research is dominated by in‐depth, qualitative, single‐ or small‐n case studies that have resulted in rich and in‐depth understanding on adaptation processes and decision making in specific locations. Recently, the number of comparative adaptation policy cases has increased, focusing on examining, describing, and/or explaining how countries, regions, and vulnerable groups are adapting across a larger sample of contexts and over time. There are, however, critical empirical, conceptual and methodological choices and challenges for comparative adaptation research. This article systematically captures and assesses the current state of larger‐n (n ≥ 20 cases) comparative adaptation policy literature. We systematically analyze 72 peer‐reviewed articles to identify the key choices and challenges authors face when conducting their research. We find among others that almost all studies use nonprobability sampling methods, few existing comparative adaptation datasets exist, most studies use easy accessible data which might not be most appropriate for the research question, many struggle to disentangle rhetoric from reality in adaptation, and very few studies engage in critical reflection of their conceptual, data and methodological choices and the implications for their findings. We conclude that efforts to increase data availability and use of more rigorous methodologies are necessary to advance comparative adaptation research.

This article is categorized under:

Vulnerability and Adaptation to Climate Change > Learning from Cases and Analogies
Two New Series of Potentially Triboluminescent Lanthanide(III) β‐Diketonate Complexes
Authors: Margenfeld Leif‐Kenneth , Liebing Phil , Oehler Florian , Lorenz Volker , Engelhardt Felix , Hilfert Liane , Busse Sabine , Edelmann Frank T.
Published: July 2018

Two new series of anionic lanthanide(III) tetrakis(dibenzoylmethanato) complexes of the type [C4H8NEtH][Ln(dbm)4] [Ln = Pr (2a), Nd (2b), Eu (2c), Tb (2d), Lu (2e); dbm = dibenzoylmethanate anion; [C4H8NEtH]+ = N‐ethylpyrrolidinium cation] and [C5H10NEtH][Ln(dbm)4] [Ln = Pr (3a), Nd (3b), Eu (3c), Tb (3d), Lu (3e); [C5H10NEtH]+ = N‐ethylpiperidinium cation]. The results showed that anions of the type [Ln(dbm)4]– are accessible for Ln3+ ions covering a wide range of ionic radii. While neither 2c nor 3c showed the expected triboluminescence (TL) properties, the new TL‐active europium(III) complex salt [iPr2NH2][Eu(dbm)4] (4) could be isolated in a similar manner. Moreover, the unexpected formation and structural characterization of the nonanuclear europium cluster Eu9(μ4‐OH)2(μ3‐OH)8(bnac)16 (5) (bnac = benzoylacetonate anion) is described.