bluuebunny/crossref_metadata_2025 huggingface dataset:
Plastic Deformation of Polymer Blends as a Means to Achieve Stretchable Organic Transistors
Authors: Sun Tianlei , Scott Joshua I. , Wang Ming , Kline Regis Joseph , Bazan Guillermo C. , O'Connor Brendan T.
Published: December 2016

Intrinsically stretchable semiconductors will facilitate the realization of seamlessly integrated stretchable electronics. In this study, a new approach to achieve intrinsically stretchable semiconductors is introduced by blending a rigid high‐performance donor–acceptor polymer semiconductor poly[4‐(4,4‐dihexadecyl‐4H‐cyclopenta[1,2‐b:5,4‐b′]dithiopen‐2‐yl)‐alt[1,2,5]thiadiazolo[3,4‐c]pyridine] with a ductile polymer semiconductor poly(3‐hexylthiophene). Under large tensile strains of up to 75%, the polymers are shown to orient in the direction of strain, and when the strain is reduced, the polymers reversibly deform. During cyclic strain, the local packing order of the polymers is shown to be remarkably stable. The saturated field effect charge mobility is shown to be consistently above 0.04 cm2 V−1 s−1 for up to 100 strain cycles with strain ranging from 10% to 75% when the film is printed onto a rigid test bed. At the 75% strain state, the charge mobility is consistently above 0.15 cm2 V−1 s−1. Ultimately, the polymer blend process introduced here results in an excellent combination of device performance and stretchability providing an effective approach to achieve intrinsically stretchable semiconductors.
High‐Efficiency Nonfullerene Organic Solar Cells: Critical Factors that Affect Complex Multi‐Length Scale Morphology and Device Performance
Authors: Ye Long , Zhao Wenchao , Li Sunsun , Mukherjee Subhrangsu , Carpenter Joshua H. , Awartani Omar , Jiao Xuechen , Hou Jianhui , Ade Harald
Published: December 2016

Organic solar cells (OSCs) made of donor/acceptor bulk‐heterojunction active layers have been of widespread interest in converting sunlight to electricity. Characterizing of the complex morphology at multiple length scales of polymer:nonfullerene small molecular acceptor (SMA) systems remains largely unexplored. Through detailed characterizations (hard/soft X‐ray scattering) of the record‐efficiency polymer:SMA system with a close analog, quantitative morphological parameters are related to the device performance parameters and fundamental morphology–performance relationships that explain why additive use and thermal annealing are needed for optimized performance are established. A linear correlation between the average purity variations at small length scale (≈10 nm) and photovoltaic device characteristics across all processing protocols is observed in ≈12%‐efficiency polymer:SMA systems. In addition, molecular interactions as reflected by the estimated Flory–Huggins interaction parameters are used to provide context of the room temperature morphology results. Comparison with results from annealed devices suggests that the two SMA systems compared show upper and lower critical solution temperature behavior, respectively. The in‐depth understanding of the complex multilength scale nonfullerene OSC morphology may guide the device optimization and new materials development and indicates that thermodynamic properties of materials systems should be studied in more detail to aid in designing optimized protocols efficiently.
Triplet Excitons in Highly Efficient Solar Cells Based on the Soluble Small Molecule p‐DTS(FBTTh2)2
Authors: Väth Stefan , Tvingstedt Kristofer , Baumann Andreas , Heiber Michael C. , Sperlich Andreas , Love John A. , Nguyen Thuc‐Quyen , Dyakonov Vladimir
Published: December 2016

Triplet exciton formation in neat 7,7‐(4,4‐bis(2‐ethylhexyl)‐4H‐silolo[3,2‐b:4,5‐b′] dithiophene‐2,6‐diyl)bis(6‐fluoro‐4‐(5′‐hexyl‐[2,2′‐bithiophen]‐5‐yl)benzo[c][1,2,5]thiadiazole) (p‐DTS(FBTTh2)2) and blends with [6,6]‐Phenyl C70 butyric acid methyl ester (PC70BM), with and without the selective solvent additive 1,8‐diiodooctane, is investigated by means of spin sensitive photoluminescence measurements. For all three material systems, a significant amount of long living triplet excitons is detected, situated on the p‐DTS(FBTTh2)2 molecules. The characteristic zero‐field splitting parameters for this state are identified to be D = 42 mT (1177 MHz) and E = 5 mT (140 MHz). However, no triplet excitons located on PC70BM are detectable. Using electrically detected spin resonance, the presence of these triplet excitons is confirmed even at room temperature, highlighting that triplet excitons form during solar cell operation and influence the photocurrent and photovoltage. Surprisingly, the superior performing blend is found to have the largest triplet population. It is concluded, that the formation of triplet excitons from charge transfer states via electron back transfer has no crucial impact on device performance in p‐DTS(FBTTh2)2:PC70BM based solar cells.
Significantly Enhanced Thermoelectric Properties of PEDOT:PSS Films through Sequential Post‐Treatments with Common Acids and Bases
Authors: Fan Zeng , Li Pengcheng , Du Donghe , Ouyang Jianyong
Published: December 2016

Thermoelectric (TE) materials are important for the sustainable development because they enable the direct harvesting of low‐quality heat into electricity. Among them, conducting polymers have attracted great attention arising from their advantages, such as flexibility, nontoxicity, easy availability, and intrinsically low thermal conductivity. In this work, a novel and facile method is reported to significantly enhance the TE property of poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) films through sequential post‐treatments with common acids and bases. Compared with the as‐prepared PEDOT:PSS, both the Seebeck coefficients and electrical conductivities can be remarkably enhanced after the treatments. The oxidation level, which significantly impacts the TE property of the PEDOT:PSS films, can also be well tuned by controlling the experimental conditions during the base treatment. The optimal PEDOT:PSS films can have a Seebeck coefficient of 39.2 µV K−1 and a conductivity of 2170 S cm−1 at room temperature, and the corresponding power factor is 334 µW (m−1 K−2). The enhancement in the TE properties is attributed to the synergetic effect of high charge mobility by the acid treatment and the optimal oxidation level tuned by the base treatment.
Fine Control of the Redox Reactivity of a Nonheme Iron(III)–Peroxo Complex by Binding Redox‐Inactive Metal Ions
Authors: Bae Seong Hee , Lee Yong‐Min , Fukuzumi Shunichi , Nam Wonwoo
Published: December 2016

Redox‐inactive metal ions are one of the most important co‐factors involved in dioxygen activation and formation reactions by metalloenzymes. In this study, we have shown that the logarithm of the rate constants of electron‐transfer and C−H bond activation reactions by nonheme iron(III)–peroxo complexes binding redox‐inactive metal ions, [(TMC)FeIII(O2)]+‐Mn+ (Mn+=Sc3+, Y3+, Lu3+, and La3+), increases linearly with the increase of the Lewis acidity of the redox‐inactive metal ions (ΔE), which is determined from the gzz values of EPR spectra of O2.−‐Mn+ complexes. In contrast, the logarithm of the rate constants of the [(TMC)FeIII(O2)]+‐Mn+ complexes in nucleophilic reactions with aldehydes decreases linearly as the ΔE value increases. Thus, the Lewis acidity of the redox‐inactive metal ions bound to the mononuclear nonheme iron(III)–peroxo complex modulates the reactivity of the [(TMC)FeIII(O2)]+‐Mn+ complexes in electron‐transfer, electrophilic, and nucleophilic reactions.
Facile green one‐pot synthesis of novel thiazolo[3,2‐a]pyrimidine derivatives using Fe3O4@l‐arginine and their biological investigation as potent antimicrobial agents
Authors: Afradi M. , Foroughifar N. , Pasdar H. , Moghanian H. , Foroughifar N.
Published: December 2016

Thiazolopyrimidine derivatives are well known because of their excellent therapeutic properties. In this investigation, an effective one‐pot three‐component method is described for the synthesis of novel 2‐[(Z)‐1‐(substituted phenyl)methylidine]‐7‐methyl‐3‐oxo‐5‐(substituted phenyl)‐2,3‐dihydro‐5H‐thiazolo[3,2‐a]pyrimidine‐6‐carboxilic acid tert‐butyl ester derivatives by condensation reaction of 3,4‐dihydropyrimidine‐2(1H)‐thiones, various aromatic aldehydes and chloroacetyl chloride under reflux conditions in the presence of Fe3O4@l‐arginine nanoparticles as a magnetically reusable and eco‐friendly catalyst with short reaction times and moderate yields. The chemical structures of all synthesized compounds were determined using infrared, 1H NMR and 13C NMR spectroscopies. In vitro antimicrobial activities of 3,4‐dihydropyrimidine‐2(1H)‐thiones and newly fused thiazolo[3,2‐a]pyrimidine derivatives were examined using the well diffusion method against diverse pathogenic strains, namely Staphylococcus aureus ATCC 6538, S. epidermidis ATCC 12228, Escherichia coli ATCC 8739 and Pseudomonas aeruginosa ATCC 9027 (bacteria), Candida albicans ATCC 10231 (yeast) and Aspergillus niger ATCC 16404 (fungus). The compounds having 2‐hydroxy, 4‐hydroxy, 2‐chloro and 4‐chloro groups attached to the phenyl ring on the pyrimidine and 4‐CH3, 4‐OCH3 and 3‐NO2 groups attached to benzylidine on the thiazolo moiety showed significant antibacterial activity.
Boron‐Functionalized Graphene Oxide‐Organic Frameworks for Highly Efficient CO2 Capture
Authors: Haque Enamul , Islam Md. Monirul , Pourazadi Ehsan , Sarkar Shuranjan , Harris Andrew T. , Minett Andrew I. , Yanmaz Ekrem , Alshehri Saad M. , Ide Yusuke , Wu Kevin C.‐W. , Kaneti Yusuf Valentino , Yamauchi Yusuke , Hossain Md. Shahriar A
Published: December 2016

The capture and storage of CO2 have been suggested as an effective strategy to reduce the global emissions of greenhouse gases. Hence, in recent years, many studies have been carried out to develop highly efficient materials for capturing CO2. Until today, different types of porous materials, such as zeolites, porous carbons, N/B‐doped porous carbons or metal‐organic frameworks (MOFs), have been studied for CO2 capture. Herein, the CO2 capture performance of new hybrid materials, graphene‐organic frameworks (GOFs) is described. The GOFs were synthesized under mild conditions through a solvothermal process using graphene oxide (GO) as a starting material and benzene 1,4‐diboronic acid as an organic linker. Interestingly, the obtained GOF shows a high surface area (506 m2 g−1) which is around 11 times higher than that of GO (46 m2 g−1), indicating that the organic modification on the GO surface is an effective way of preparing a porous structure using GO. Our synthetic approach is quite simple, facile, and fast, compared with many other approaches reported previously. The synthesized GOF exhibits a very large CO2 capacity of 4.95 mmol g−1 at 298 K (1 bar), which is higher those of other porous materials or carbon‐based materials, along with an excellent CO2/N2 selectivity of 48.8.
Operational Optimization for Microgrid of Buildings with Distributed Solar Power and Battery
Authors: Zhang Yuanming , Jia Qing‐Shan
Published: December 2016

Improving building energy efficiency is significant for energy conservation and environmental protection. When there are multiple buildings with solar power generation and batteries connected in a microgrid, coordinating the distributed energy supply and consumption may substantially improve the energy efficiency. We consider this important problem in this paper and make the following three major contributions. First, we formulate the operation optimization of a microgrid of buildings as a two‐stage stochastic programming problem. Second, the problem is transformed into a stochastic mixed‐integer linear programming. Then the scenario method is used to solve the problem. Third, case studies of a university campus is presented. The numerical results show that coordinating the distributed solar power and battery can reduce the operational cost of the microgrid.
Improving metabolite production in microbial co‐cultures using a spatially constrained hydrogel
Authors: Smith Matthew J. , Francis Matthew B.
Published: December 2016

Microbial co‐cultures promise the development of more efficient bioproductions. However, the design of obligate mutualisms is complicated when using organisms that possess differing growth rates or incompatible media requirements. In this work, we investigate sucrose production by cscB Synechococcus elongatus PCC 7942 within a polyacrylate hydrogel matrix. This system secretes sucrose only when the hydrogel is spatially constrained, demonstrating a new utilization of hydrogel swelling pressure to control the osmotic strength of a microbial microenvironment. The sucrose produced via the constrained microbial hydrogel is used to grow the diazotrophic organism, Azotobacter vinelandii, in a mutually dependent fashion. The growth of this hydrogel‐based coculture has several advantages over batch cultures, including better growth over a longer period of time and decreased salt stress on A. vinelandii. Biotechnol. Bioeng. 2017;114: 1195–1200. © 2016 Wiley Periodicals, Inc.
QSAR models for prediction of chromatographic behavior of homologous Fab variants
Authors: Robinson Julie R. , Karkov Hanne S. , Woo James A. , Krogh Berit O. , Cramer Steven M.
Published: December 2016

While quantitative structure activity relationship (QSAR) models have been employed successfully for the prediction of small model protein chromatographic behavior, there have been few reports to date on the use of this methodology for larger, more complex proteins. Recently our group generated focused libraries of antibody Fab fragment variants with different combinations of surface hydrophobicities and electrostatic potentials, and demonstrated that the unique selectivities of multimodal resins can be exploited to separate these Fab variants. In this work, results from linear salt gradient experiments with these Fabs were employed to develop QSAR models for six chromatographic systems, including multimodal (Capto MMC, Nuvia cPrime, and two novel ligand prototypes), hydrophobic interaction chromatography (HIC; Capto Phenyl), and cation exchange (CEX; CM Sepharose FF) resins. The models utilized newly developed “local descriptors” to quantify changes around point mutations in the Fab libraries as well as novel cluster descriptors recently introduced by our group. Subsequent rounds of feature selection and linearized machine learning algorithms were used to generate robust, well‐validated models with high training set correlations (R2 > 0.70) that were well suited for predicting elution salt concentrations in the various systems. The developed models then were used to predict the retention of a deamidated Fab and isotype variants, with varying success. The results represent the first successful utilization of QSAR for the prediction of chromatographic behavior of complex proteins such as Fab fragments in multimodal chromatographic systems. The framework presented here can be employed to facilitate process development for the purification of biological products from product‐related impurities by in silico screening of resin alternatives. Biotechnol. Bioeng. 2017;114: 1231–1240. © 2016 Wiley Periodicals, Inc.
Cultural Trailblazers: Exploring the Career Development of Latina First‐Generation College Students
Authors: Storlie Cassandra A. , Mostade S. Jeffery , Duenyas Deborah
Published: December 2016

Latinas in the United States have had historically low college graduation rates, are overrepresented in lower paying occupations, and experience culture‐ and values‐based struggles in obtaining career goals. As Latinas increase their presence as a cultural group in higher education and grow in the U.S. workforce, researchers are called to uncover the challenging and complex career development experience of this diverse group of students. This qualitative study used a grounded theory methodology to explore the values and life‐role salience associated with the career development of Latina 1st‐generation college students at a primarily Caucasian institution. Results included 2 overarching themes with 5 subthemes supporting culturally sensitive career counseling practices while working with this sample. Future research implications examining the efficacy of interventions to help Latina 1st‐generation college students succeed in college are provided.
Evaluation of a Goal Orientation Model of Vocational Identity
Authors: Creed Peter A. , Hennessy David A.
Published: December 2016

The authors tested a model that considered goal orientation (mastery approach, performance approach, and performance avoidance) as an antecedent to vocational identity (career exploration and commitment) and included both career behaviors (career‐related strategies) and affect (career distress) as outcomes of vocational identity. The authors also assessed vocational identity as a mediator for consistency with models of career development. The study was survey based with 281 young adult participants (77% women, mean age = 26 years). Mastery and performance approach were associated with more career exploration, which, in turn, was associated with greater use of career‐related strategies. Performance avoidance was associated with more career commitment, which was then related to greater distress. The study demonstrated that goal orientation is a potentially important antecedent to vocational identity, which has implications for how practitioners work with young adults with different goal orientations.
Psychological Well‐Being and Career Indecision in Emerging Adulthood: The Moderating Role of Hardiness
Authors: Viola Maria Maddalena , Musso Pasquale , Inguglia Cristiano , Lo Coco Alida
Published: December 2016

This study investigated the moderating role of hardiness in the relationship between psychological well‐being (PWB) and career indecision in 131 never‐employed Italian emerging adults. Cluster analytic methods produced high and low hardiness profiles. A structural equation modeling analysis underscored the importance of hardiness for moderating the negative association between PWB and career indecision. Specifically, findings revealed that being hardy is a crucial relevant personal resource in the presence of lower levels of PWB. The authors discuss the importance of analyzing simultaneously the role of PWB and hardiness in promoting engagement in the career decision‐making process and provide implications for setting up appropriate career counseling interventions with emerging adults. Suggestions for future research are presented, such as the use of longitudinal designs and qualitative methods.
Different Products of the Reduction of (N),C,N‐Chelated Antimony(III) Compounds: Competitive Formation of Monomeric Stibinidenes versus 1H‐2,1‐Benzazastiboles
Authors: Vránová Iva , Alonso Mercedes , Jambor Roman , Růžička Aleš , Turek Jan , Dostál Libor
Published: December 2016

The reduction of N,C,N‐chelated antimony(III) chlorides [C6H3‐2,6‐(CH=NR)2]SbCl2 (R=Ph (1), tBu (2), Dip (3); Dip=2,6‐iPr2C6H3) with an appropriate amount of KC8 or Li[AlH4] resulted in the formation of rare examples of monomeric stibinidenes [C6H3‐2,6‐(CH=NR)2]Sb (R=Ph (4), tBu (5), Dip (6)). Similarly, the reduction of compounds 1 or 2 by two equivalents of K[B(sBu)3H] led to the stibinidenes 4 and 5. In contrast, the analogous reaction of compound 3 resulted in the formation of an unprecedented stibinidene [C6H3‐2‐(CH=NR)‐6‐(CH2NHR)]Sb (7) (R=Dip), in which the hydrogen atoms that come from the K[B(sBu)3H] are incorporated into the ligand backbone. To gain further insight into this intriguing reactivity with K[B(sBu)3H] and to assess the influence of the substitution at both the antimony atom and pendant substituents, we prepared compounds [C6H3‐2‐(CH=NDip)]Sb(Ph)Cl (8) and [C6H2‐2‐(CH=NDip)‐4,6‐(tBu)2]SbCl2 (9). The treatment of compound 8 with K[B(sBu)3H] smoothly led to the 1‐Ph‐2‐Dip‐1H‐2,1‐benzazastibole (11), whereas the reaction of compound 9 with K[B(sBu)3H] resulted in either tBu‐substituted 1‐Cl‐2‐Dip‐1H‐2,1‐benzazastibole (13) or the formation of unprecedented Sb−Sb dimer bis(2‐Dip‐1H‐2,1‐benzazastibole) (12) depending on the reaction stoichiometry. The miscellaneous reactivity of antimony(III) precursors with reducing agents together with the structure and bonding of the resulting products has also been investigated from a theoretical point of view.
Constructing Implantable SrTiO3:Yb,Ho Nanofibers for NIR‐Triggered and Optically Monitored Chemotherapy
Authors: Fu Yike , Fang Chao , Ren Zhaohui , Xu Gang , Li Xiang , Han Gaorong
Published: December 2016

Light‐responsive and photoluminescent (PL) drug‐delivery platforms have sparked fascinating advancements in personalized tumor chemotherapy due to their unique characteristics in biological imaging and manipulated release kinetics. Herein, implantable Yb3+ and Ho3+ co‐doped strontium titanate (SrTiO3:Yb,Ho) nanofibers were synthesized and decorated on the surface with polyacrylic acid (PAA) molecules. The preliminary in vitro assay confirmed that this implantable fibrous mesh presented sound cytocompatibility. The PAA surface decoration improved the loading capacity of an anticancer drug (doxorubicin (DOX)) and effectively prevented a daunting burst release in a neutral aqueous environment. Owing to the electrostatic bond between PAA and DOX molecules, low‐pH microenvironments and NIR (λ=808 nm) irradiation both induced significantly accelerated DOX release and consequently enhanced the local cancer‐cell‐killing effect. Additionally, the ratio of green‐to‐red emission (I545/I655) from the SrTiO3:Yb,Ho‐PAA fibers responded effectively to the DOX release progress and dosage due to a fluorescence resonance energy transfer (FRET) effect. This unique characteristic enabled optical monitoring of the delivery progress in a timely manner. These SrTiO3:Yb,Ho‐PAA nanofibers, with precise dual‐triggering and optical monitoring of DOX release, are expected to serve as a new implantable drug delivery platform for personalized chemotherapy in the future.
Postdiagnosis social networks and breast cancer mortality in the After Breast Cancer Pooling Project
Authors: Kroenke Candyce H. , Michael Yvonne L. , Poole Elizabeth M. , Kwan Marilyn L. , Nechuta Sarah , Leas Eric , Caan Bette J. , Pierce John , Shu Xiao‐Ou , Zheng Ying , Chen Wendy Y.
Published: December 2016

BACKGROUND

Large social networks have been associated with better overall survival, though not consistently with breast cancer (BC)–specific outcomes. This study evaluated associations of postdiagnosis social networks and BC outcomes in a large cohort.

METHODS

Women from the After Breast Cancer Pooling Project (n = 9267) provided data on social networks within approximately 2 years of their diagnosis. A social network index was derived from information about the presence of a spouse/partner, religious ties, community ties, friendship ties, and numbers of living first‐degree relatives. Cox models were used to evaluate associations, and a meta‐analysis was used to determine whether effect estimates differed by cohort. Stratification by demographic, social, tumor, and treatment factors was performed.

RESULTS

There were 1448 recurrences and 1521 deaths (990 due to BC). Associations were similar in 3 of 4 cohorts. After covariate adjustments, socially isolated women (small networks) had higher risks of recurrence (hazard ratio [HR], 1.43; 95% confidence interval [CI], 1.15‐1.77), BC‐specific mortality (HR, 1.64; 95% CI, 1.33‐2.03), and total mortality (HR, 1.69; 95% CI, 1.43‐1.99) than socially integrated women; associations were stronger in those with stage I/II cancer. In the fourth cohort, there were no significant associations with BC‐specific outcomes. A lack of a spouse/partner (P = .02) and community ties (P = .04) predicted higher BC‐specific mortality in older white women but not in other women. However, a lack of relatives (P = .02) and friendship ties (P = .01) predicted higher BC‐specific mortality in nonwhite women only.

CONCLUSIONS

In a large pooled cohort, larger social networks were associated with better BC‐specific and overall survival. Clinicians should assess social network information as a marker of prognosis because critical supports may differ with sociodemographic factors.Cancer2017;123:1228–1237.©2016 American Cancer Society.
Visible‐Light‐Driven Photocatalytic Transformation of α,β‐Unsaturated‐N‐Tosylhydrazones: A Novel Route to Allylic Sulfones
Authors: Parisotto Stefano , Garreffa Gabriele , Canepa Carlo , Diana Eliano , Pellegrino Francesco , Priola Emanuele , Prandi Cristina , Maurino Valter , Deagostino Annamaria
Published: December 2016

The first example of a visible‐light‐driven transformation of α,β‐unsaturated sulfonylhydrazones to allylic sulfones is described. The reaction is carried out under very mild conditions affording allylic sulfones by generation of highly delocalized radicals, crucial in promoting nitrogen loss instead of the commonly observed intramolecular hydroamination. Moreover, the mechanism has been investigated demonstrating the generation of a vinyl radical intermediate.
Activation of Alkynylzinc Reagents by a Hemiaminal‐Driven Catalytic Microenvironment
Authors: St. Denis Jeffrey D. , Liew Sean K. , Scully Conor C. G. , Yudin Andrei K.
Published: December 2016

1,2‐Aziridinyl propargylic amines have been obtained through a zinc‐catalyzed multicomponent reaction. This process relies on the dimeric amino aldehyde assembly orchestrating the intramolecular 1,2‐alkyne addition to an iminium ion. The resulting products can be readily elaborated through regioselective aziridine ring opening. A catalytic cycle and stereochemical rationale for the highly anti‐selective alkyne addition is proposed.
Synthesis of Pyrimido[5′,4′:4,5]pyrrolo[1,2‐f]phenanthridines by a One‐Pot C–N‐Coupling/Hydroamination/C–H‐Arylation Sequence
Authors: Nghia Pham Ngo , Ali Salman Ghazwan , Belattar Nadjah , Thanh Dang Tuan , Ehlers Peter , Langer Peter
Published: December 2016

A modular and atom‐economic synthetic pathway towards 11,13‐dimethylpyrimido[5′,4′:4,5]pyrrolo[1,2‐f]phenanthridines is described. The protocol features a chemoselective Sonogashira reaction of a 4,5‐dihalopyrimidine followed by a domino C–N coupling/hydroamination and C–H arylation that can be achieved in a one‐pot process. The yields vary from moderate to good.
Efficient and Facile Fabrication of Glucose Biosensor Based on Electrochemically Etched Porous HOPG Platform
Authors: Li Meixiu , Cui Liang , Niu Fushuang , Ji Xuqiang , Xu Yuanhong , Liu Jingquan
Published: December 2016

Herein, a uniform porous highly oriented pyrolytic graphite (HOPG) electrode was prepared via diazonium salt assisted electrochemical etching method and firstly utilized to immobilize enzymes for the construction of a high‐performance glucose biosensor. The formation mechanism and morphology structure of the porous HOPG electrode were investigated using atomic force microscopy (AFM), X‐ray photoelectron spectroscopy (XPS) and X‐ray diffraction (XRD) characterizations. The glucose oxidase (GOx) was functionalized with pyrene groups and then immobilized on the porous HOPG substrate through π‐π stacking interactions and hydrogen bonding. As a result, eight times higher oxidation current density can be obtained for a given glucose concentration for the porous HOPG electrode than the pristine one. Detection limit of 5 μM for glucose was achieved for the as‐fabricated biosensor. It was obtained that 78 % biocatalytical activity of GOx can be retained after the pyrene functionalization and 65.7 % one can even be maintained after four weeks, which confirmed the high efficiency and good stability of the as‐prepared biosensor. What's more, it can be anticipated that various other enzymes can be loaded into this porous HOPG platform using the same enzyme modification methodology for the construction of efficient biosensors.
Metabolomics‐based approach for ranking the candidate structures of unidentified peaks in capillary electrophoresis time‐of‐flight mass spectrometry
Authors: Yamamoto Hiroyuki , Sasaki Kazunori
Published: December 2016

One of the technical challenges encountered during metabolomics research is determining the chemical structures of unidentified peaks. We have developed a metabolomics‐based chemoinformatics approach for ranking the candidate structures of unidentified peaks. Our approach uses information about the known metabolites detected in samples containing unidentified peaks and involves three discrete steps. The first step involves identifying “precursor/product metabolites” as potential reactants or products derived from the unidentified peaks. In the second step, candidate structures for the unidentified peak are searched against the PubChem database using a molecular formula. These structures are then ranked by structural similarity against precursor/product metabolites and candidate structures. In the third step, the migration time is predicted to refine the candidate structures. Two simulation studies were conducted to highlight the efficacy of our approach, including the use of 20 proteinogenic amino acids as pseudo‐unidentified peaks, and leave‐one‐out experiments for all of the annotated metabolites with and without filtering against the Human Metabolome Database. We also applied our approach to two unidentified peaks in a urine sample, which were identified as glycocyamidine and N‐acetylglycine. These results suggest that our approach could be used to identify unidentified peaks during metabolomics analysis.
Hybrid experimental performance of a full‐scale two‐story buckling‐restrained braced RC frame
Authors: Wu An‐Chien , Tsai Keh‐Chyuan , Yang Hsun‐Horng , Huang Jie‐Luen , Li Chao‐Hsien , Wang Kung‐Juin , Khoo Hsen‐Han
Published: December 2016

This paper proposes a novel implementation of buckling‐restrained braces (BRB) in new reinforced concrete (RC) frame construction. Seismic design and analysis methods for using a proposed steel cast‐in anchor bracket (CAB) to transfer normal and shear forces between the BRB and RC members are investigated. A full‐scale two‐story RC frame with BRBs (BRB‐RCF) is tested using hybrid and cyclic loading test procedures. The BRBs were arranged in a zigzag configuration and designed to resist 70% of the story shear. The gusset design incorporates the BRB axial and RCF actions, while the beam and column members comply with ACI 318‐14 seismic design provisions. Test results confirm that the BRBs enhanced the RCF stiffness, strength, and ductility. The hysteresis energy dissipation ratios in the four hybrid tests range from 60% to 94% in the two stories, indicating that BRBs can effectively dissipate seismic input energy. When the inter‐story drift ratio for both stories reached 3.5% in the cyclic loading test, the overall lateral force versus deformation response was still very stable. No failure of the proposed steel CABs and RC discontinuity regions was observed. This study demonstrates that the proposed design and construction methods for the CABs are effective and practical for real applications. Copyright © 2016 John Wiley & Sons, Ltd.
Examining the effect of geomorphic characteristics on pool temperatures for native fish habitat management in mountainous stream networks
Authors: Laurel DeAnna , Wohl Ellen
Published: December 2016

Stream temperature is a critical habitat parameter for cold‐water fish, many species of which now exist in geographically fragmented populations within the western United States. To assist managers in identifying thermally suitable fish habitat, we used data from 31 pools on streams of the White River National Forest in Colorado, USA to create multiple regression models to predict summer pool temperature metrics related to lethal and sublethal thermal tolerances of fish. We modeled the 7‐day mean of daily maximum pool temperature for the warmest 7 days and the mean temperature of the warmest month, using air temperature and several geomorphic parameters. The strongest predictor variables of these temperature metrics were drainage area, discharge, and residual pool volume. Most previous studies found air temperature to be the strongest predictor variable for pool temperature, but for the mountain streams in this study, variables related to stream flow volume and stream morphology had better predictive power. The models, created from and tested against field data, were able to explain 66% and 51% of the variability in monthly mean and 7‐day mean pool temperatures, respectively, and had prediction errors of less than 2°C. The reach‐scale approach developed here, which includes geomorphically relevant predictors of pool temperature, should be applicable to other mountainous river networks. Copyright © 2016 John Wiley & Sons, Ltd.
Temporal and spatial behavior of pharmaceuticals in Narragansett Bay, Rhode Island, United States
Authors: Cantwell Mark G. , Katz David R. , Sullivan Julia C. , Ho Kay , Burgess Robert M.
Published: December 2016

The behavior and fate of pharmaceutical ingredients in coastal marine ecosystems are not well understood. To address this, the spatial and temporal distribution of 15 high-volume pharmaceuticals were measured over a 1-yr period in Narragansett Bay (RI, USA) to elucidate factors and processes regulating their concentration and distribution. Dissolved concentrations ranged from below detection to 313 ng/L, with 4 pharmaceuticals present at all sites and sampling periods. Eight pharmaceuticals were present in suspended particulate material, ranging in concentration from below detection to 44 ng/g. Partitioning coefficients were determined for some pharmaceuticals, with their range and variability remaining relatively constant throughout the study. Normalization to organic carbon content provided no benefit, indicating other factors played a greater role in regulating partitioning behavior. Within the upper bay, the continuous influx of wastewater treatment plant effluents resulted in sustained, elevated levels of pharmaceuticals. A pharmaceutical concentration gradient was apparent from this zone to the mouth of the bay. For most of the pharmaceuticals, there was a strong relationship with salinity, indicating conservative behavior within the estuary. Short flushing times in Narragansett Bay coupled with pharmaceuticals’ presence overwhelmingly in the dissolved phase indicate that most pharmaceuticals will be diluted and transported out of the estuary, with only trace amounts of several compounds sequestered in sediments. The present study identifies factors controlling the temporal and spatial dynamics of dissolved and particulate pharmaceuticals; their partitioning behavior provides an increased understanding of their fate, including bioavailability in an urban estuary. Environ Toxicol Chem 2017;36:1846–1855. Published 2016 Wiley Periodicals Inc. on behalf of SETAC. This article is a US government work and, as such, is in the public domain in the United States of America.
Monotone nonlinear finite‐volume method for nonisothermal two‐phase two‐component flow in porous media
Authors: Schneider Martin , Flemisch Bernd , Helmig Rainer
Published: December 2016

This article presents a new nonlinear finite‐volume scheme for the nonisothermal two‐phase two‐component flow equations in porous media. The face fluxes are approximated by a nonlinear two‐point flux approximation, where transmissibilities nonlinearly depend on primary variables. Thereby, we mainly follow the ideas proposed by Le Potier combined with a harmonic averaging point interpolation strategy for the approximation of arbitrary heterogeneous permeability fields on polygonal grids. The behavior of this interpolation strategy is analyzed, and its limitation for highly anisotropic permeability tensors is demonstrated. Moreover, the condition numbers of occurring matrices are compared with linear finite‐volume schemes. Additionally, the convergence behavior of iterative solvers is investigated. Finally, it is shown that the nonlinear scheme is more efficient than its linear counterpart. Copyright © 2016 John Wiley & Sons, Ltd.
Serum level of CXCL10 is associated with inflammatory prognostic biomarkers in patients with diffuse large B‐cell lymphoma
Authors: Hong Jung Yong , Ryu Kyung Ju , Lee Ji Yean , Park Chaehwa , Ko Young Hyeh , Kim Won Seog , Kim Seok Jin
Published: December 2016

Inflammatory biomarkers, such as the neutrophil to lymphocyte ratio (NLR), lymphocyte to monocyte ratio (LMR), and Glasgow Prognostic Score (GPS) have been proposed to predict prognosis in diffuse large B‐cell lymphoma (DLBCL). C‐X‐C motif ligand 10 (CXCL10) is a chemokine released from inflammatory cells in the tumor microenvironment and is known to promote tumor cell migration and invasion. In this study, we investigated the clinical impact of pretreatment serum level of CXCL10 on the prognostic value of inflammatory biomarkers in 313 patients with DLBCL who were enrolled into a prospective cohort study. Serum level of CXCL10 was measured in archived pretreatment frozen samples. The high CXCL10 (>median value) group was significantly associated with high tumor burden status, including advanced stage (III‐IV), elevated serum lactic dehydrogenase, and a higher risk International Prognostic Index. Progression‐free survival of the high CXCL10 group was significantly worse than that of the low CXCL10 group, and secondary central nervous system involvement was more frequent in the high CXCL10 group. High CXCL10 was associated with high C‐reactive protein level (r = 0.246), low albumin level (r = −0.289), low absolute lymphocyte count (r = −0.185), and risk stratification according to NLR, LMR, and GPS. C‐X‐C motif ligand 10 promoted cell migration of patient‐derived cells and several DLBCL cell lines. However, the prognostic value of high CXCL10 was lost in the multivariate analyses. Nevertheless, we suggest serum CXCL10 may have clinical value if it can be more easily assessed because of its contribution to the prognostic value of NLR, LMR, and GPS in DLBCL.
Development and implementation of a site-specific water quality limit for uranium in a high conservation value ecosystem
Authors: van Dam Rick A , Hogan Alicia C , Harford Andrew J
Published: December 2016

Water quality guideline values (GVs) are a key tool for water quality assessments. Site-specific GVs, which incorporate data relevant to local conditions and organisms, provide a higher level of confidence that the GV will protect the aquatic ecosystem at a site compared to generic GVs. Site-specific GVs are, therefore, considered particularly suitable for sites of high sociopolitical or ecological importance. The present paper provides an example of the refinement of a site-specific GV for high ecological value aquatic ecosystems in Kakadu National Park, Northern Territory, Australia, to improve its site specificity and statistical robustness, thereby increasing confidence in its application. Uranium is a contaminant of concern for Ranger U mine, which releases water into Magela Creek and Gulungul Creek in Kakadu National Park. A site-specific GV for U has been applied, as a statutory limit, to Magela Creek since 2004 and to Gulungul Creek since 2015. The GV of 6 μg/L U was derived from toxicity data for 5 local species tested under local conditions. The acquisition of additional U data, including new information on the effect of DOC on U toxicity, enabled a revision of the site-specific U GV to 2.8 μg/L U and an ability to adjust the value on the basis of environmental concentrations of DOC. The revised GV has been adopted as the statutory limit, with the regulatory framework structured so the GV requires adjustment based on DOC concentration only when an exceedance occurs. Monitoring data for Magela Creek (2001–2013) and Gulungul Creek (2003–2013) downstream of the mine show that dissolved U has not exceeded 1 μg/L. Integr Environ Assess Manag 2017;13:765–777. © 2016 SETAC

Key Points

A site-specific water quality limit for U was revised on the basis of new toxicity data and quantitative data on the influence of DOC. The revised U limit was 2.8 μg/L and can be adjusted on the basis of environmental DOC concentration. The U limit has been implemented in the regulatory framework for the Ranger U mine, surrounded by World Heritage– and Ramsar–listed wetlands, in northern Australia. This case study illustrates how site-specific water quality limits can be derived and implemented in a rigorous manner.
Doped 1D Nanostructures of Transition‐metal Oxides: First‐principles Evaluation of Photocatalytic Suitability
Authors: Zhukovskii Yu. F. , Piskunov S. , Lisovski O. , Bocharov D. , Evarestov R. A.
Published: December 2016

The splitting of water molecules under the influence of solar light on semiconducting electrodes is a clean and renewable source for the production of hydrogen fuel. Its efficiency depends on the relative position of the band‐gap edges or the induced defect levels with a proper band alignment relative to the redox H+/H2 and O2/H2O potentials. For example, TiO2 and ZnO bulk, as well as thick slabs (whose band gaps are ∼3.2–3.4 eV), can be active only for photocatalytic applications under UV irradiation (possessing ∼1 % solar energy conversion efficiency). Nevertheless, by adjusting the band gap through formation of nanostructures and further doping, the efficiency can be increased up to ∼15 % (for 2.0–2.2 eV band gap). We analyse results of DFT (density functional theory) calculations on TiO2 nanotubes and ZnO nanowires, both pristine and doped (e.g., by AgZn, CO, FeTi, NO and SO substitutes). To reproduce the energies of one‐electron states better, we have incorporated the Hartree‐Fock (HF) exchange into the hybrid DFT+HF Hamiltonian. Both the atomic and electronic structure of nanomaterials, simulated by us, are analysed to evaluate their photocatalytic suitability, including positions of the redox potential levels inside the modified band gap, the width of which corresponds to visible‐light energies. Analysis of the densities of states (DOS) for considered nanostructures clearly shows that photocatalytic properties can be significantly altered by dopants. The chosen hybrid methods of first‐principles calculations significantly simplify selection of suitable nanomaterials possessing the required photocatalytic properties under solar light irradiation.
Clinical Diagnosis in Labour
Authors: Browne J.C. McClure
Published: December 2016

Clinical Diagnosis in Labour. by Hamlin R.H.J., Second Edition, published by E. & S. Livingstone Ltd., Edinburgh, London, 1965.
Prophylaxe und Therapie postoperativer Komplikationen nach gynäkologischen Laparotomien durch Langzeit Cholinesterase‐Hemmung
Authors: Käser O.
Published: December 2016

Prophylaxe und Therapie postoperativer Komplikationen nach gynäkologischen Laparotomien durch Langzeit Cholinesterase‐Hemmung, by Dr. E. Gitsch, published by Wilhelm Maudrich Verlag, Vienna (Austria) 1965.
Shaw's Textbook of Operative Gynaecology
Authors: de Watteville H.
Published: December 2016

Shaw's Textbook of Operative Gynaecology, revised by John Howkins and published by E. & S. Livingstone Ltd, England. 556 pages, containing numerous excellent illustrations.
Mammadiagnostik im Röntgenbild ‐ ein Atlas
Authors: Paunier Jean‐Pierre
Published: December 2016

Mammadiagnostik im Röntgenbild ‐ ein Atlas (Diagnosis of mammary diseases by radiography), by H. Witt and H. Bürger, 148 pages, price 118.‐ DM. In German. Published by Walter de Gruyter & Co., Berlin 1968.
Die fibrinolytische Aktivität von Endometrium und Myometrium, Dezidua und Plazenta, Kollum‐ und Korpuskarzinomen
Authors: Stamm‐Scholer
Published: December 2016

Die fibrinolytische Aktivität von Endometrium und Myometrium, Dezidua und Plazenta, Kollum‐ und Korpuskarzinomen (The fibrinolitic activity of endometrium, decidua, placenta and carcinomata of the cervix and the corpus uteri), by H. Schmidt‐Matthiesen. Bibliotheca Gynaecologica, Fasc. 44, X+117 p., 26 fig., 16 tab., SFr./DM 31.50. S. Karger A.G. Basel/New York 1967.
Objective identification of dental abnormalities with multispectral fluorescence imaging
Authors: Singh Surya Pratap , Fält Pauli , Barman Ishan , Koistinen Arto , Dasari Ramachandra Rao , Kullaa Arja M.
Published: December 2016

Sensitive methods that can enable early detection of dental diseases (caries and calculus) are desirable in clinical practice. Optical spectroscopic approaches have emerged as promising alternatives owing to their wealth of molecular information and lack of sample preparation requirements. In the present study, using multispectral fluorescence imaging, we have demonstrated that dental caries and calculus can be objectively identified on extracted tooth. Spectral differences among control, carious and calculus conditions were attributed to the porphyrin pigment content, which is a byproduct of bacterial metabolism. Spectral maps generated using different porphyrin bands offer important clues to the spread of bacterial infection. Statistically significant differences utilizing fluorescence intensity ratios were observed among three groups. In contrast to laser induced fluorescence, these methods can provide information about exact spread of the infection and may aid in long term dental monitoring. Successful adoption of this approach for routine clinical usage can assist dentists in implementing timely remedial measures.

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Modern trends in biophotonics for clinical diagnosis and therapy to solve unmet clinical needs
Authors: Krafft Christoph
Published: December 2016

This contribution covers recent original research papers in the biophotonics field. The content is organized into main techniques such as multiphoton microscopy, Raman spectroscopy, infrared spectroscopy, optical coherence tomography and photoacoustic tomography, and their applications in the context of fluid, cell, tissue and skin diagnostics. Special attention is paid to vascular and blood flow diagnostics, photothermal and photodynamic therapy, tissue therapy, cell characterization, and biosensors for biomarker detection.

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Isolation, Characterization, and Establishment of Spontaneously Immortalized Cell Line HRPE‐2S With Stem Cell Properties
Authors: Shams Najafabadi Hoda , Soheili Zahra‐soheila , Samiei Shahram , Ahmadieh Hamid , Ranaei Pirmardan Ehsan , Masoumi Maryam
Published: December 2016

The retinal pigment epithelium is a monolayer of highly specialized pigmented cells located between the neural retina and the Bruch's membrane of the choroid. RPE cells play a crucial role in the maintenance and function of the underlying photoreceptors. This study introduces a spontaneously arising human retinal pigment epithelial cell line, HRPE‐2S, which was isolated from primary RPE cell culture of 2 days old male donor. We characterized morphology and functional properties of the new cell line. The immortalized cell line was maintained in culture for more than 70 passages and 240 divisions. The average doubling time of the cells was approximately 22 h and got freezed at 26th passage. The cell line expressed RPE‐specific markers RPE65 and cell junction protein ZO1 as an epithelial cell marker. It also expressed CHX10, PAX6, Nestin, SOX2 as stem and retinal progenitor cell markers. Ki67 as a marker of cell proliferation was expressed in all HRPE‐2S cells. It represented typical epithelial cobblestone morphology and did not phenotypically change through several passages. Stem cell‐like aggregations (neurospheres) were observed in SEM microscopy. The cells represented high mitotic index. They could be viable under hypoxic conditions and serum deprivation. According to functional studies, the cell line exhibited stem cell‐like behaviors with particular emphasis on its self‐renewal capacity. LDH isoenzymes expression pattern confirmed the same cellular source for both of the HRPE‐2S cells and primary RPE cells. Characteristics of HRPE‐2S cells promise it as an in vitro model for RPE stem cell‐based researches. J. Cell. Physiol. 232: 2626–2640, 2017. © 2016 Wiley Periodicals, Inc.