bluuebunny/crossref_metadata_2025 huggingface dataset:
Stiff and Transparent Multilayer Thin Films Prepared Through Hydrogen‐Bonding Layer‐by‐Layer Assembly of Graphene and Polymer
Authors: Xiang Fangming , Parviz Dorsa , Givens Tara M. , Tzeng Ping , Davis Eric M. , Stafford Christopher M. , Green Micah J. , Grunlan Jaime C.
Published: February 2016

Due to their exceptional orientation of 2D nanofillers, layer‐by‐layer (LbL) assembled polymer/graphene oxide thin films exhibit unmatched mechanical performance relative to any conventionally produced counterparts with similar composition. Unprecedented mechanical property improvement, by replacing graphene oxide with pristine graphene, is demonstrated in this work. Polyvinylpyrrolidone‐stabilized graphene platelets are alternately deposited with poly(acrylic acid) using hydrogen bonding assisted LbL assembly. Transmission electron microscopy imaging and the Halpin‐Tsai model are used to demonstrate, for the first time, that intact graphene can be processed from water to generate polymer nanocomposite thin films with simultaneous parallel‐alignment, high packing density, and exfoliation. A multilayer thin film with only 3.9 vol% of highly exfoliated, and structurally intact graphene, increases the elastic modulus (E) of a polymer multilayer thin film by 322% (from 1.41 to 4.81 GPa), while maintaining visible light transmittance of ≈90%. This is one of the greatest improvements in elastic modulus ever reported for a graphene‐filled polymer nanocomposite with a glassy (E > 1 GPa) matrix. The technique described here provides a powerful new tool to improve nanocomposite properties (mechanical, gas transport, etc.) that can be universally applied to a variety of polymer matrices and 2D nanoplatelets.
Hexagonal Boron Nitride Thin Film for Flexible Resistive Memory Applications
Authors: Qian Kai , Tay Roland Yingjie , Nguyen Viet Cuong , Wang Jiangxin , Cai Guofa , Chen Tupei , Teo Edwin Hang Tong , Lee Pooi See
Published: February 2016

Hexagonal boron nitride (hBN), which is a 2D layered dielectric material, sometimes referred as “white graphene” due to its structural similarity with graphene, has attracted much attention due to its fascinating physical properties. Here, for the first time the use of chemical vapor deposition ‐grown hBN films to fabricate ultrathin (≈3 nm) flexible hBN‐based resistive switching memory device is reported, and the switching mechanism through conductive atomic force microscopy and ex situ transmission electron microscopy is studied. The hBN‐based resistive memory exhibits reproducible switching endurance, long retention time, and the capability to operate under extreme bending conditions. Contrary to the conventional electrochemical metallization theory, the conductive filament is found to commence its growth from the anode to cathode. This work provides an important step for broadening and deepening the understanding on the switching mechanism in filament‐based resistive memories and propels the 2D material application in the resistive memory in future computing systems.
FeSe2‐Decorated Bi2Se3 Nanosheets Fabricated via Cation Exchange for Chelator‐Free 64Cu‐Labeling and Multimodal Image‐Guided Photothermal‐Radiation Therapy
Authors: Cheng Liang , Shen Sida , Shi Sixiang , Yi Yuan , Wang Xiaoyong , Song Guosheng , Yang Kai , Liu Gang , Barnhart Todd E. , Cai Weibo , Liu Zhuang
Published: February 2016

Multifunctional theranostic agents have become rather attractive to realize image‐guided combination cancer therapy. Herein, a novel method is developed to synthesize Bi2Se3 nanosheets decorated with mono‐dispersed FeSe2 nanoparticles (FeSe2/Bi2Se3) for tetra‐modal image‐guided combined photothermal and radiation tumor therapy. Interestingly, upon addition of Bi(NO3)3, pre‐made FeSe2 nanoparticles via cation exchange would be gradually converted into Bi2Se3 nanosheets, on which remaining FeSe2 nanoparticles are decorated. The yielded FeSe2/Bi2Se3 composite‐nanostructures are then modified with polyethylene glycol (PEG). Taking advantages of the high r
2 relaxivity of FeSe2, the X‐ray attenuation ability of Bi2Se3, the strong near‐infrared optical absorbance of the whole nanostructure, as well as the chelate‐free radiolabeling of 64Cu on FeSe2/Bi2Se3‐PEG, in vivo magnetic resonance/computer tomography/photoacoustic/position emission tomography multimodal imaging is carried out, revealing efficient tumor homing of FeSe2/Bi2Se3‐PEG after intravenous injection. Utilizing the intrinsic physical properties of FeSe2/Bi2Se3‐PEG, in vivo photothermal and radiation therapy to achieve synergistic tumor destruction is then realized, without causing obvious toxicity to the treated animals. This work presents a unique method to synthesize composite‐nanostructures with highly integrated functionalities, promising not only for nano‐biomedicine but also potentially for other different nanotechnology fields.
Dragonfly‐Eye‐Inspired Artificial Compound Eyes with Sophisticated Imaging
Authors: Deng Zefang , Chen Feng , Yang Qing , Bian Hao , Du Guangqing , Yong Jiale , Shan Chao , Hou Xun
Published: February 2016

The natural compound eye is a striking imaging device with a wealth of fascinating optical features such as a wide field of view (FOV), low aberration, and high sensitivity. Dragonflies in particular possess large, sophisticated compound eyes that exhibit high resolving power and information‐processing capacity. Here, a large‐scale artificial compound eye inspired by the unique designs of natural counterparts is presented. The artificial compound eye is created by a high‐efficiency strategy that combines single‐pulse femtosecond laser wet etching with thermal embossing. These eyes have a macrobase diameter of 5 mm and ≈30 000 close‐packed ommatidia with an average diameter of 24.5 μm. Moreover, the optical properties of the artificial compound eyes are investigated; the results confirm that the eye demonstrates advanced imaging quality, an exceptionally wide FOV of up to 140°, and low aberration.
In Vivo Host Response and Degradation of Copolymer Scaffolds Functionalized with Nanodiamonds and Bone Morphogenetic Protein 2
Authors: Suliman Salwa , Sun Yang , Pedersen Torbjorn O. , Xue Ying , Nickel Joachim , Waag Thilo , Finne‐Wistrand Anna , Steinmüller‐Nethl Doris , Krueger Anke , Costea Daniela E. , Mustafa Kamal
Published: February 2016

The aim is to evaluate the effect of modifying poly[(l‐lactide)‐co‐(ε‐caprolactone)] scaffolds (PLCL) with nanodiamonds (nDP) or with nDP+physisorbed BMP‐2 (nDP+BMP‐2) on in vivo host tissue response and degradation. The scaffolds are implanted subcutaneously in Balb/c mice and retrieved after 1, 8, and 27 weeks. Molecular weight analysis shows that modified scaffolds degrade faster than the unmodified. Gene analysis at week 1 shows highest expression of proinflammatory markers around nDP scaffolds; although the presence of inflammatory cells and foreign body giant cells is more prominent around the PLCL. Tissue regeneration markers are highly expressed in the nDP+BMP‐2 scaffolds at week 8. A fibrous capsule is detectable by week 8, thinnest around nDP scaffolds and at week 27 thickest around PLCL scaffolds. mRNA levels of ALP, COL1α2, and ANGPT1 are significantly upregulating in the nDP+BMP‐2 scaffolds at week 1 with ectopic bone seen at week 8. Even when almost 90% of the scaffold is degraded at week 27, nDP are observable at implantation areas without adverse effects. In conclusion, modifying PLCL scaffolds with nDP does not aggravate the host response and physisorbed BMP‐2 delivery attenuates inflammation while lowering the dose of BMP‐2 to a relatively safe and economical level.
Biomaterial‐Stabilized Soft Tissue Healing for Healing of Critical‐Sized Bone Defects: the Masquelet Technique
Authors: Tarchala Magdalena , Harvey Edward J. , Barralet Jake
Published: February 2016

Critical‐sized bone defects present a significant burden to the medical community due to their challenging treatment. However, a successful limb‐salvaging technique, the Masquelet Technique (MT), has significantly improved the prognosis of many segmental bone defects in helping to restore form and function. Although the Masquelet Technique has proven to be clinically effective, the physiology of the healing it induces is not well understood. Multiple modifiable factors have been implicated by various surgical and research teams, but no single factor has been proven to be critical to the success of the Masquelet Technique. In this review the most recent clinical and experimental evidence that supports and helps to decipher the traditional Masquelet, as well as the modifiable factors and their effect on the success of the technique are discussed. In addition, future developments for the integration of the traditional Masquelet Technique with the use of alternative biomaterials to increase the effectiveness and expand the clinical applicability of the Masquelet Technique are reviewed.
High‐Rate, Durable Sodium‐Ion Battery Cathode Enabled by Carbon‐Coated Micro‐Sized Na3V2(PO4)3 Particles with Interconnected Vertical Nanowalls
Authors: Li Hui , Bi Xuanxuan , Bai Ying , Yuan Yifei , Shahbazian‐Yassar Reza , Wu Chuan , Wu Feng , Lu Jun , Amine Khalil
Published: February 2016

Na‐ion batteries have been regarded as promising alternatives for Li‐ion batteries due to the extensive sodium reserves in the world. Na3V2(PO4)3 has been proved to be a good candidate of the cathode materials in Na‐ion batteries but the intrinsic low electrical conductivity and sluggish kinetics handicapped its application. Here, 3D hierarchical Na3V2(PO4)3 particles are synthesized by a facile hydrothermal method, constructed by carbon‐coated 2D Na3V2(PO4)3 nanowalls. Superior cell performance of high rate capability and cycle stability are observed in the well‐defined structure. As the cathode in Na‐ion batteries, it delivers a high capacity almost reaching the theoretical one and exhibits high capacity retention. The enhanced rate capability and cycle performance can be attributed to the improved electrical conductivity from the interconnected carbon layer and the shortened ion diffusion length and high specific surface area from the nanowalls.
A Strain‐Regulated, Refillable Elastic Patch for Controlled Release
Authors: Kim Bongsoo , Yoo SangHyuk , Kim Yong‐Jin , Park Jaeyoon , Kang Byunghoon , Haam Seungjoo , Kang Sun‐Woong , Kang Keonwook , Jeong Unyong
Published: February 2016

Many stimulus‐induced release systems have been studied for the smart control of drug delivery. Mechanical strain is rarely investigated as means of stimulation for these systems, despite the fact that there are many biological processes and human body motions that involve strain changes. In this study, a design for a stretchable reservoir‐based patch‐type release system is suggested. The reservoir made of an elastomer undergoes a decrease in volume when the system is deformed by bending and stretching. The response is predicted by finite element method modeling studies. The release rate of the reservoir is finely controlled by attaching elastic microchannels with different channel lengths. Because the whole system is made of rubber, the patch is deformable and the solution can be refilled with a microsyringe. Systematic designs for on/off release, long‐term release, and short‐term release are suggested.
Energy Product Enhancement in Imperfectly Exchange‐Coupled Nanocomposite Magnets
Authors: Quesada Adrian , Granados‐Miralles Cecilia , López‐Ortega Alberto , Erokhin Sergey , Lottini Elisabetta , Pedrosa Javier , Bollero Alberto , Aragón Ana M. , Rubio‐Marcos Fernando , Stingaciu Marian , Bertoni Giovanni , de Julián Fernández César , Sangregorio Claudio , Fernández Jose F. , Berkov Dmitry , Christensen Mogens
Published: February 2016

Interfacial exchange coupling is known to improve the permanent magnetic performance (i.e., maximal energy product) in composites of magnetically hard and soft particles. The prevailing strategy, employed in a plethora of compositions, consists in maximizing the coupling between the hard and soft phases and optimizing material parameters such as particle size or phase composition. In CoFe2O4–FeCo nanocomposites, it is experimentally shown that interparticle uncoupling in combination with the sizes of the soft phase grains below the single‐domain threshold leads to enhanced magnetic properties at room temperature, while maximizing exchange coupling implies a collapse in coercivity and hence in the maximal energy product. The results are corroborated by micromagnetic calculations and the origin of the exchange‐induced softening is discussed. It is emphasized that engineering interfaces in order to optimize, rather than maximize, the degree of exchange coupling are a necessary requirement to improve the energy product in nanocomposite magnets and to successfully develop advanced rare‐earth‐free permanent magnets.
Triboelectric Nanogenerator for Sustainable Wastewater Treatment via a Self‐Powered Electrochemical Process
Authors: Chen Shuwen , Wang Ning , Ma Long , Li Tao , Willander Magnus , Jie Yang , Cao Xia , Wang Zhong Lin
Published: February 2016

By harvesting the flowing kinetic energy of water using a rotating triboelectric nanogenerator (R‐TENG), this study demonstrates a self‐powered wastewater treatment system that simultaneously removes rhodamine B (RhB) and copper ions through an advanced electrochemical unit. With the electricity generated by R‐TENG, the removal efficiency (RE) of RhB can reach the vicinity of 100% within just 15 min when the initial concentration of RhB is around 100 ppm at optimized conditions. The removal efficiency of copper ions can reach 97.3% after 3 h within an initial concentration of 150 ppm at an optimized condition. Importantly, a better performance and higher treating efficiency are found by using the pulsed output of R‐TENG than those using direct current (DC) supply for pollutant removal when consuming equal amount of energy. The recovered copper layer on the cathode through R‐TENG is much denser, more uniform, and with smaller grain size (d = 20 nm) than those produced by DC process, which also hints at very promising applications of the R‐TENG in electroplating industry. In light of the merits such as easy portability, low cost, and effectiveness, this R‐TENG‐based self‐powered electrochemical system holds great potential in wastewater treatment and electroplating industry.
Mesoporous MoS2 as a Transition Metal Dichalcogenide Exhibiting Pseudocapacitive Li and Na‐Ion Charge Storage
Authors: Cook John B. , Kim Hyung‐Seok , Yan Yan , Ko Jesse S. , Robbennolt Shauna , Dunn Bruce , Tolbert Sarah H.
Published: February 2016

The ion insertion properties of MoS2 continue to be of widespread interest for energy storage. While much of the current work on MoS2 has been focused on the high capacity four‐electron reduction reaction, this process is prone to poor reversibility. Traditional ion intercalation reactions are highlighted and it is demonstrated that ordered mesoporous thin films of MoS2 can be utilized as a pseudocapacitive energy storage material with a specific capacity of 173 mAh g−1 for Li‐ions and 118 mAh g−1 for Na‐ions at 1 mV s−1. Utilizing synchrotron grazing incidence X‐ray diffraction techniques, fast electrochemical kinetics are correlated with the ordered porous structure and with an iso‐oriented crystal structure. When Li‐ions are utilized, the material can be charged and discharged in 20 seconds while still achieving a specific capacity of 140 mAh g−1. Moreover, the nanoscale architecture of mesoporous MoS2 retains this level of lithium capacity for 10 000 cycles. A detailed electrochemical kinetic analysis indicates that energy storage for both ions in MoS2 is due to a pseudocapacitive mechanism.
Carbon Nanodot Surface Modifications Initiate Highly Efficient, Stable Catalysts for Both Oxygen Evolution and Reduction Reactions
Authors: Liu Juan , Zhao Shunyan , Li Chuanxi , Yang Manman , Yang Yanmei , Liu Yang , Lifshitz Yeshayahu , Lee Shuit‐Tong , Kang Zhenhui
Published: February 2016

Efficient, stable, and low‐cost electrocatalysts for the oxygen evolution and reduction reactions (OER and ORR) are essential components of energy conversion. Although much progress has been achieved in the development of platinum‐based electrocatalysts for ORR and iridium‐based electrocatalysts for OER, they are still not yet viable for large‐scale commercialization because of the high cost and scanty supply of the noble metals. Here, it is demonstrated that carbon nanodots surface‐modified with either phosphorus or amidogen can respectively achieve electrocatalytic activity approaching that of the benchmark Pt/C and IrO2 /C catalysts for ORR and OER. Furthermore, phosphorus (amidogen)‐modified carbon nanodots with attached Au nanoparticles exhibit superior ORR (OER) activity better than commercial Pt/C (IrO2/C) catalysts as well as excellent electrochemical stability under visible light.
Surface‐based morphometry reveals distinct cortical thickness and surface area profiles in Williams syndrome
Authors: Green Tamar , Fierro Kyle C. , Raman Mira M. , Saggar Manish , Sheau Kristen E. , Reiss Allan L.
Published: February 2016

Morphometric investigations of brain volumes in Williams syndrome (WS) consistently show significant reductions in gray matter volume compared to controls. Cortical thickness (CT) and surface area (SA) are two constituent parts of cortical gray matter volume that are considered genetically distinguishable features of brain morphology. Yet, little is known about the independent contribution of cortical CT and SA to these volumetric differences in WS. Thus, our objectives were: (i) to evaluate whether the microdeletion in chromosome 7 associated with WS has a distinct effect on CT and SA, and (ii) to evaluate age‐related variations in CT and SA within WS. We compared CT and SA values in 44 individuals with WS to 49 age‐ and sex‐matched typically developing controls. Between‐group differences in CT and SA were evaluated across two age groups: young (age range 6.6–18.9 years), and adults (age range 20.2–51.5 years). Overall, we found contrasting effects of WS on cortical thickness (increases) and surface area (decreases). With respect to brain topography, the between‐group pattern of CT differences showed a scattered pattern while the between‐group surface area pattern was widely distributed throughout the brain. In the adult subgroup, we observed a cluster of increases in cortical thickness in WS across the brain that was not observed in the young subgroup. Our findings suggest that extensive early reductions in surface area are the driving force for the overall reduction in brain volume in WS. The age‐related cortical thickness findings might reflect delayed or even arrested development of specific brain regions in WS. © 2016 Wiley Periodicals, Inc.
Reinforcing the association between distal 1q CNVs and structural brain disorder: A case of a complex 1q43‐q44 CNV and a review of the literature
Authors: Hemming Isabel A. , Forrest Alistair R. R. , Shipman Peter , Woodward Karen J. , Walsh Peter , Ravine David G. , Heng Julian Ik‐Tsen
Published: February 2016

Copy Number Variations (CNVs) comprising the distal 1q region 1q43‐q44 are associated with neurological impairments, structural brain disorder, and intellectual disability. Here, we report an extremely rare, de novo case of a 1q43‐q44 deletion with an adjacent duplication, associated with severe seizures, microcephaly, agenesis of the corpus callosum, and pachygyria, a consequence of defective neuronal migration disorder. We conducted a literature survey to find that our patient is only the second case of such a 1q43‐q44 CNV ever to be described. Our data support an association between 1q43‐q44 deletions and microcephaly, as well as an association between 1q43‐q44 duplications and macrocephaly. We compare and contrast our findings with previous studies reporting on critical 1q43‐q44 regions and their constituent genes associated with seizures, microcephaly, and corpus callosum abnormalities [Ballif et al., 2012; Hum Genet 131:145–156; Nagamani et al., 2012; Eur J Hum Genet 20:176–179]. Taken together, our study reinforces the association between 1q43‐q44 CNVs and brain disorder. © 2016 Wiley Periodicals, Inc.
Recyclable Magnetic Nanoparticle‐Supported Iodoarene Catalysts for Oxidation of 4‐Alkoxyphenols to Quinones
Authors: Nambu Hisanori , Shimokawa Ikumi , Fujiwara Tomoya , Yakura Takayuki
Published: February 2016

Iodoarene catalysts immobilized on magnetite (Fe3O4) were developed. The reactivity of catalysts 4 a and 4 b were similar to that of 4‐iodophenoxyacetic acid (3) for the oxidation of 4‐alkoxyphenols in the presence of Oxone® as a co‐oxidant to give the corresponding p‐quinones in high yields. In addition, 4 b was readily recovered by the use of an external magnet and was recycled up to eight times. This is the first example of a magnetic, nanoparticle‐supported iodoarene catalyst.
Nickel‐Catalyzed Cross‐Coupling of (Hetero)aryl Chlorides with Aryllithium Compounds
Authors: Tao Jian‐Long , Wang Zhong‐Xia
Published: February 2016

The nickel pincer complexes [Ni(Cl){N(2‐R2PC6H4)(2′‐Me2NC6H4)}] (R=Ph, 1 a; R=iPr, 1 b; R=Cy, 1 c) were demonstrated to catalyze cross‐coupling of aryl or heteroaryl chlorides with aryllithium compounds under mild reaction conditions. The catalytic activity of 1 a was highest and resulted in biaryl products in 23–96 % yields. A series of aryl chlorides including deactivated ones, such as 1‐chloro‐4‐methoxybenzene, 4‐chloro‐N,N‐dimethylaniline, and 1‐chloro‐4‐methylbenzene, and heteroaryl chlorides, including 2‐ and 3‐chloropyridine, 2‐chloro‐4‐methylquinoline, 2‐chlorothiophene, 2‐chlorobenzofuran, 2‐chlorobenzo[d]oxazole, and 2‐chlorobenzo[d]thiazole, were used in this coupling reaction.
Frailty and famine: Patterns of mortality and physiological stress among victims of famine in medieval London
Authors: Yaussy Samantha L. , DeWitte Sharon N. , Redfern Rebecca C.
Published: February 2016

Objectives

Famine can be defined as a shortage of foodstuffs that instigates widespread excess mortality due to starvation, infectious disease, and social disruption. Like other causes of catastrophic mortality, famine has the potential to be selective. This study examines how famines in medieval London were selective with respect to previous stress, age, and sex.

Methods

This study compares famine burials to nonfamine (attritional) burials from the St Mary Spital cemetery, London (c. 1120–1540 AD). We evaluate the associations between age, sex, and skeletal stress indicators [cribra orbitalia, linear enamel hypoplasia (LEH), and periosteal lesions] using hierarchical log‐linear analysis. Additionally, sex is modeled as a covariate affecting the Gompertz hazard of mortality.

Results

Significant associations exist between famine burials and LEH and between attritional burials and periosteal lesions, independent of age or sex. Sex did not significantly affect risk of mortality in the 12th–13th centuries. However, males interred in attritional burials c. 1400–1539 AD faced a lower risk of mortality compared to females.

Discussion

The LEH results suggest that early exposure to stressors increased frailty in the context of famine. The periosteal lesion results suggest that individuals were more likely to survive stressors and thus form these lesions under nonfamine conditions. Hazard analysis suggests that a cultural or biological transformation during this period affected sex differences in mortality. Possible causes include the selective mortality during the Black Death, which might have influenced risks of mortality among survivors, or unequal distribution of improvements in standards of living after the epidemic. Am J Phys Anthropol 160:272–283, 2016. © 2016 Wiley Periodicals, Inc.
Patient‐centered decision making: the role of the baseline SNOT‐22 in predicting outcomes for medical management of chronic rhinosinusitis
Authors: Steele Toby O. , Rudmik Luke , Mace Jess C. , DeConde Adam S. , Alt Jeremiah A. , Smith Timothy L.
Published: February 2016

Background

For patients with chronic rhinosinusitis (CRS), the decision to elect continued medical management vs surgery is complex and involves tradeoffs between benefits, risks, and overall effectiveness of each therapy. The purpose of this study is to investigate whether baseline disease‐specific quality of life (QOL) can assist in predicting outcomes in patients with refractory CRS who elect continued medical management.

Methods

CRS patients electing medical management were enrolled in a prospective, multi‐institutional cohort study. Patients were stratified into pretreatment 22‐item Sino‐Nasal Outcome Test (SNOT‐22) subgroups based on 10‐point score increments (eg, 10 to 19, 20 to 29, 30 to 39, etc.) to capture potential outcome differences by baseline SNOT‐22 disease burden. The proportion of patients achieving minimal clinically important difference (MCID≥9 points) and relative improvement (%) for each score category were calculated.

Results

Seventy‐five CRS patients with a mean ± standard deviation pretreatment SNOT‐22 score of 45.2 ± 16.6 were followed for a mean of 14.9 months. The majority of participants electing medical therapy failed to improve 1 MCID (57%) with a mean relative score improvement of 16%. Overall, 37% of patients maintained baseline SNOT‐22 QOL status, whereas 20% of patients deteriorated >1 MCID. When treatment crossover patients (to endoscopic sinus surgery [ESS]) were included (n = 117), approximately 1 in 4 (27%) patients achieved an MCID.

Conclusion

Results from this study suggest that the majority of CRS patients electing ongoing medical management with low baseline disease‐specific QOL impairment maintain stable QOL with continued medical management. Furthermore, of CRS patients electing ongoing medical therapy, approximately 1 in 4 patients achieved MCID, whereas 1 in 5 experienced deterioration by >1 MCID.
1,3‐Diazasilabicyclo[1.1.0]butane with a Long Bridging N−N Bond
Authors: Xiao Xu‐Qiong , Dong Zhaowen , Li Zhifang , Yan Chenting , Lai Guoqiao , Kira Mitsuo
Published: February 2016

A 1,3‐diazasilabicyclo[1.1.0]butane (1) is synthesized as thermally stable crystals by using the cycloaddition reaction of an isolable dialkylsilylene with aziadamantane. The bridge N−N bond length of 1 (1.70 Å) is the longest among those of known N−N singly‐bonded compounds, including side‐on bridged transition‐metal dinitrogen complexes. The compound 1 is intact in air but moisture sensitive. No reaction occurs with hydrogen, even under pressure at 0.5 MPa. Irradiation of 1 with light gives an isomer quantitatively by N−N and adamantyl C−C bond cleavage. The origin of the remarkable N−N bond elongation is ascribed to significant interaction between a Si−C σ* and Ν−Ν π and σ orbitals as determined by DFT calculations of model compounds.
Protein Stability in Reverse Micelles
Authors: Senske Michael , Smith Austin E. , Pielak Gary J.
Published: February 2016

The N‐terminal SH3 domain of the Drosophila signal transduction protein drk was encapsulated in reverse micelles. Both the temperature of maximum stability and the melting temperature decreased on encapsulation. Dissecting the temperature‐dependent stability into enthalpic and entropic contributions reveals a stabilizing enthalpic and a destabilizing entropic contribution. These results do not match the expectations of hard‐core excluded volume theory, nor can they be wholly explained by interactions between the head groups in the reverse micelle and the test protein. We suggest that geometric constraints imposed by the reverse micelles need to be considered.
Preparation, characterization, and dynamic adsorption–desorption studies on polypyrrole encapsulated TiO2 nanoparticles
Authors: Sultan Adil , Anwer Tarique , Ahmad Sharique , Mohammad Faiz
Published: February 2016

Binary doped polypyrrole (PPy) encapsulated Titania (TiO2) nanoparticles were prepared by oxidative polymerization using FeCl3 as oxidant in presence of camphorsulfonic acid (CSA) as surfactant. Both FeCl3 (oxidant) and camphorsulfonic acid (surfactant) also act as dopant and hence thus prepared polypyrrole/Titania (TiO2@PPy) is termed as binary doped nanocomposite i.e. FeCl3 dopes polypyrrole by oxidation mechanism while camphorsulfonic acid dopes polypyrrole by protonic doping mechanism. The TiO2@PPy coreshell nanocomposites were characterized by Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD), thermogravimetry, differential scanning calorimetry (DSC), field emission‐scanning electron microscopy (FE‐SEM), and inductance‐capacitance‐resistance (LCR) measurements. The results indicated that the structural and electrical properties of the TiO2@PPy coreshell nanocomposites were significantly influenced by the extent of TiO2 nanoparticles loading of polypyrrole. The direct current (DC) electrical conductivity of the as‐prepared TiO2@PPy coreshell nanocomposites was higher than that of PPy. As‐prepared TiO2@PPy coreshell nanocomposites were also studied for their dielectric losses for alternating current (AC) which is useful characteristic for their application in the fabrication of charge storing devices. TiO2@PPy coreshell nanocomposites showed synergistic effect of combining components in improving their alcohol sensing properties. This improvement may be attributed to the adsorption on and desorption from alcohols TiO2@PPy interface of the nanocomposites and alcohol vapors causing decrease in depletion region. The TiO2@PPy coreshell nanocomposites were observed to show better reproducibility of electrical conductivity and fast self‐recovery during the alcohol vapor sensing process. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43411.
Distinct linkage between winter Tibetan Plateau snow depth and early summer Philippine Sea anomalous anticyclone
Authors: Ren Hong‐Chang , Li Weijing , Ren Hong‐Li , Zuo Jinqing
Published: February 2016

This article demonstrates that the above‐normal Tibetan Plateau snow depth (TPSD) in winter appears to be followed by an intensified Philippine Sea anticyclone in June (PSAC‐J), and vice versa. This linkage is clearly independent of the relationship between the El Niño‐Southern Oscillation (ENSO) and the PSAC‐J. Moreover, winter TPSD anomalies are typically associated with a PSAC‐J pattern that shifts northwards compared with that associated with ENSO. A better understanding of the combined effects of the winter TPSD and ENSO on the PSAC‐J could improve our ability to predict both the East Asia summer monsoon and variations in the Meiyu–Changma–Baiu rainbelt.
Efficient kinetic resolution of (RS)‐1‐phenylethanol by a mycelium‐bound lipase from a wild‐type Aspergillus oryzae strain
Authors: Yan Hong‐De , Wang Zhao , Qian Jun‐Qing
Published: February 2016

A mycelium‐bound lipase from Aspergillus oryzae (AOL) exhibited excellent enantioselectivity for kinetic resolution of (RS)‐1‐phenylethanol ((RS)‐1‐PE) in organic solvent. The various reaction parameters affecting the conversion and enantioselectivity were studied, including type of acyl donor, solvent, molar ratio, temperature, enzyme amount, and substrate concentration. The optimum reaction conditions were found to be transesterification with vinyl acetate at 30 °C in methyl tert‐butyl ether with a vinyl acetate: (RS)‐1‐PE molar ratio of 1:1 and an enzyme concentration of 60 g/L. At the optimum reaction conditions, the conversion could reach above 46% with >99% enantiomeric excess of the product, (R)‐1‐phenylethyl acetate, when the substrate concentration was below 1.4 M. The enzyme displayed an excellent enantioselectivity with an E‐value of >200 and a strong tolerance for high substrate concentration of up to 1.8 M. Those results indicated that AOL was a promising biocatalyst in the kinetic resolution of (RS)‐1‐PE.
Auswirkung von Wärmeverschiebungsvorgängen in energieeffizient sanierten Bestandswohngebäuden
Authors: Osterhage Tanja , Davide Calì , Müller Dirk , Voß Rouven
Published: February 2016

In den letzten Jahren wurden die Anforderungen der EnEV seitens des Gesetzgebers an die thermische Gebäudehülle bei Sanierungen und Neubauten strenger. Die dadurch sinkenden Transmissionswärmeverluste nach außen führen zu einer zunehmenden Bedeutung der Wärmeverschiebungen innerhalb des Gebäudes.

Die Bestimmung der hier vorgestellten Wärmetransmissionen erfolgt am Beispiel eines vom BMWi geförderten Forschungsvorhabens, bei dem drei Wohngebäuderiegel mit 90 Wohneinheiten aus den 1950/60er Jahren unterschiedlich saniert wurden. Ein hochauflösendes Monitoring ermöglicht eine detaillierte Analyse der Effizienz der sanierten Gebäude sowie deren Anlagentechnik und bildet die Grundlage für die Simulationsmodelle.

Die Simulationsergebnisse zur detaillierten Betrachtung der Wärmetransmission in Mehrfamilienhäusern geben Aufschluss darüber, dass die Wärmegewinne durch angrenzende Wohnungen die Verluste durch Transmission über die wärmeübertragende Umfassungsfläche teilweise oder sogar vollständig kompensieren können.

Effect of heat displacement in energy efficient residential buildings. During the last years, the requirements of the German Buildings Energy Saving Ordinance “EnEV” became more strict for both new and refurbished buildings. The decreasing transmission losses to the outside lead to an increasing importance of heat displacements between different dwellings within the building.

Within a field test project, financed by the Federal Ministery for Economic Affairs and Energy (BMWi), the heat transmissions between dwellings of two buildings were quantified. Three residential buildings with each 30 apartments, built in the fifties, were differently refurbished. A high‐resolution monitoring allows a detailed analysis of the efficiency of the buildings and their HVAC system, and provides the basis for the simulation models.

As the results from the simulation of the heat transmission in the buildings show, some apartments can partially or even completely compensate the transmission losses over the building envelope through the heat gains received from neighboring apartments. For other apartments, losses to the neighbors represent a consistent part of the total heat losses.
Reassessing the economic value of advanced level mathematics
Authors: Adkins Michael , Noyes Andrew
Published: February 2016

In the late 1990s, the economic return to Advanced level (A‐level) mathematics was examined. The analysis was based upon a series of log‐linear models of earnings in the 1958 National Child Development Survey (NCDS) and the National Survey of 1980 Graduates and Diplomates. The core finding was that A‐level mathematics had a unique earnings premium of 7–10% at age 33. In recent years, this finding has contributed to the government's agenda of increasing participation in post‐16 study of advanced mathematics in England. Given that the 1958 NCDS participants are now 57 years old, this paper repeats this important work using the 1970 British Cohort Study (BCS). Updated models are used to investigate whether the A‐level mathematics premium also existed at age 34 for the 1970 BCS participants. There does appear to be a return of approximately 11% when replicating the original model closely but the robustness of this result depends on the model specification, sample size and the handling of missing data. We consider theoretical explanations of these findings and their implications for policy and future research.
Properties, theoretical study and crystal structure of 3‐benzothiazole‐9‐ethyl carbazole
Authors: Gu Yingchun , Lin Dayong , Fei Xuening , Wang Cuihong , Li Ling , Tang Yalin , Zhou Jianguo
Published: February 2016

The title compound of 3‐benzothiazole‐9‐ethyl carbazole was synthesized by the reaction of 3‐aldehyde‐9‐ethyl carbazole and 2‐aminothiophenol. The compound was characterized by 1H nuclear magnetic resonance (NMR) and mass spectrometry (MS). Its crystal structure was obtained and determined by single crystal X‐ray diffraction. The results showed that the crystal belongs to the orthorhombic crystal system and the cell parameters of space group P2(1)2(1)2(1) were a = 5.6626 (12) Å, b = 12.606 (3) Å, c = 22.639 (5) Å, α = 90°, β = 90°, γ = 90°, V = 1616.0 (6) Å3, Z = 4, Dc = 1.350 mg/m3. The UV–vis and fluorescence spectra were also studied preliminarily. The fluorescence spectra of the title compound with bovine serum albumin (BSA) showed that BSA could be marked with the compound and the stability constant between them was 0.82 × 107 M−1. Meanwhile, the crystal and molecule were theoretically surveyed by density functional tight‐binding (DFTB). The results showed that there was an orbital overlap for lowest unoccupied molecular orbital (LUMO) between the neighbouring molecules for the crystal, which is different from the molecule structure. It was also showed that the crystal structure is a non‐conductor. Copyright © 2016 John Wiley & Sons, Ltd.
Predictive approach for protein aggregation: Correlation of protein surface characteristics and conformational flexibility to protein aggregation propensity
Authors: Galm Lara , Amrhein Sven , Hubbuch Jürgen
Published: February 2016

The aggregation of proteins became one of the major challenges in the development of biopharmaceu­ticals since the formation of aggregates can affect drug quality and immunogenicity. However, aggregation mechanisms are highly complex and the investigation requires cost, time, and material intensive experi­mental effort. In the present work, the predictive power of protein characteristics for the phase behavior of three different proteins which are very similar in size and structure was studied. In particular, the surface hydrophobicity, zeta potential, and conformational flexibility of human lysozyme, lysozyme from chicken egg white, and α‐lactalbumin at pH 3, 5, 7, and 9 were assessed and examined for correlation with experimental stability studies focusing on protein phase behavior induced by sodium chloride and ammonium sulfate. The molecular dynamics (MD) simulation based study of the conformational flexibility without precipitants was able to identify highly flexible protein regions which could be associated to the less regular secondary structure elements and random coiled and terminal regions in particular. Conformational flex­ibility of the entire protein structure and protein surface hydrophobicity could be correlated to differing aggregation propensities among the studied proteins and could be identified to be applicable for predic­tion of protein phase behavior in aqueous solution without precipitants. For prediction of protein phase behavior and aggregation propensity in aqueous solution with precipitants, protein flexibility was further studied in dependency of salt concentration and species by means of human lysozyme. Even though the results of the salt dependent MD simulations could not be shown to be sufficient for prediction of salt depending phase behavior, this study revealed a more pronounced destabilizing effect of ammonium sulfate in comparison to sodium chloride and thus, was found to be in good agreement with theoretical considerations along the Hofmeister series as well as experimentally evaluated phase behavior. Biotechnol. Bioeng. 2017;114: 1170–1183. © 2016 Wiley Periodicals, Inc.
Evolution of universal review and disclosure of MRI reports to research participants
Authors: Shoemaker Jody M. , Cole Caitlin , Petree Linda E. , Helitzer Deborah L. , Holdsworth Mark T. , Gluck John P. , Phillips John P.
Published: February 2016

Background

Although incidental findings (IF) are commonly encountered in neuroimaging research, there is no consensus regarding what to do with them. Whether researchers are obligated to review scans for IF, or if such findings should be disclosed to research participants at all, is controversial. Objective data are required to inform reasonable research policy; unfortunately, such data are lacking in the published literature. This manuscript summarizes the development of a radiology review and disclosure system in place at a neuroimaging research institute and its impact on key stakeholders.

Methods

The evolution of a universal radiology review system is described, from inception to its current status. Financial information is reviewed, and stakeholder impact is characterized through surveys and interviews.

Results

Consistent with prior reports, 34% of research participants had an incidental finding identified, of which 2.5% required urgent medical attention. A total of 87% of research participants wanted their magnetic resonance imaging (MRI) results regardless of clinical significance and 91% considered getting an MRI report a benefit of study participation. A total of 63% of participants who were encouraged to see a doctor about their incidental finding actually followed up with a physician. Reasons provided for not following‐up included already knowing the finding existed (14%), not being able to afford seeing a physician (29%), or being reassured after speaking with the institute's Medical Director (43%). Of those participants who followed the recommendation to see a physician, nine (38%) required further diagnostic testing. No participants, including those who pursued further testing, regretted receiving their MRI report, although two participants expressed concern about the excessive personal cost. The current cost of the radiology review system is about $23 per scan.

Conclusions

It is possible to provide universal radiology review of research scans through a system that is cost‐effective, minimizes investigator burden, and does not overwhelm local healthcare resources.
The blue child – amiodarone‐induced blue‐gray skin syndrome and pulmonary mass in a child
Authors: Paech Christian , Wagner Franziska , Suchowerskyj Philipp , Weidenbach Michael
Published: February 2016

Key clinical message

Adverse effects of amiodarone are rarely seen in pediatric patients, but may occur if amiodarone is applied for long‐term treatment. Two rather rare phenomena are blue‐gray skin pigmentation and pulmonary mass. They represent important differential diagnoses from more common clinical complications like pneumonia and drug‐induced toxic skin lesions.
Iridium(I) N‐Heterocyclic Carbene (NHC)/Phosphine Catalysts for Mild and Chemoselective Hydrogenation Processes
Authors: Kerr William J. , Mudd Richard J. , Brown Jack A.
Published: February 2016

The directed chemoselective hydrogenation of olefins has been established by using iridium(I) catalysts, which feature a tuned NHC/phosphine ligand combination. This selective reduction process has been demonstrated in a wide array of solvents, including more environmentally acceptable media, also allowing further refinement of hydrogenation selectivity.
Flexible Structural Features of Pentafulvene Titanium Derivatives: Isolation and Characterization of NHC Complexes
Authors: Manßen Manfred , Adler Christian , Beckhaus Rüdiger
Published: February 2016

The reaction of η5,η1‐pentafulvene titanium complexes with the strong N‐heterocyclic carbene (NHC) donor 1,3,4,5‐tetramethylimidazole‐2‐ylidene, leads to the formation of isolable NHC titanium adducts, featuring a haptotropic shift of the pentafulvene ligand, proved by single crystal X‐ray diffraction as well as NMR spectroscopy studies.
Accessing the Triplet State in Heavy‐Atom‐Free Perylene Diimides
Authors: Yu Zhenyi , Wu Yishi , Peng Qian , Sun Chunlin , Chen Jianwei , Yao Jiannian , Fu Hongbing
Published: February 2016

Previous studies of perylenediimides (PDIs) mostly utilized the lowest singlet excited state S1. Generation of a triplet excited state (T1) in PDIs is important for applications ranging from photodynamic therapy to photovoltaics; however, it remains a formidable task. Herein, we developed a heavy‐atom‐free strategy to prompt the T1←S1 intersystem crossing (ISC) by introducing electron‐donating aryl (Ar) groups at the head positions of an electron‐deficient perylenediimide (PDI) core. We found that the ISC efficiency increases from 8 to 54 % and then to 86 % by increasing the electron‐donating ability of head‐substituted aryl groups from phenyl (p‐PDI) to methoxyphenyl (MeO‐PDI) and then to methylthioxyphenyl (MeS‐PDI). By enhancing the intramolecular charge‐transfer (ICT) interaction from p‐PDI to MeO‐PDI, and then to MeS‐PDI, singlet oxygen generation via energy‐transfer reactions from T1 of PDIs to 3O2 was demonstrated with the highest yield of up to 80 %. These results provide guidelines for developing new triplet‐generating PDIs and related rylene diimides for optoelectronic applications.
Construction of Spirocyclic Oxindoles through Regio‐ and Stereoselective [3+2] or [3+2]/[4+2] Cascade Reaction of α,β‐Unsaturated Imines with 3‐Isothiocyanato Oxindole
Authors: Du Dan , Xu Qin , Li Xiao‐Ge , Shi Min
Published: February 2016

On the basis of asymmetric regioselective [3+2] or [3+2]/[4+2] cascade reaction of 3‐isothiocyanato oxindoles with C=C and C=N bonds of α,β‐unsaturated methanesulfonamides, diversified S‐containing heterocyclic spirooxindole derivatives could be obtained in high yields along with good to excellent diastereo‐ and enantioselectivities under mild conditions in the presence of cinchona alkaloid‐derived organocatalysts.
Oil‐water core‐annular flow in vertical pipes: A CFD study
Authors: Gupta Raghvendra , Turangan Cary K. , Manica Rogerio
Published: February 2016

Oil‐water core‐annular flow has the potential to significantly reduce the pumping power required for heavy oil transportation. We study axisymmetric, laminar‐laminar oil‐water core‐annular flow in a pipe (radius 14.2 mm) under three different channel conditions: vertically upward flow, vertically downward flow, and without considering the gravitational effect. For the ‘no‐gravity’ case, a smooth oil‐water interface is obtained and the results correspond to the analytical solution for a ‘fully‐developed’ annular flow. For the vertically upward flow, ‘saw‐tooth’ waves are observed at the interface. No perturbations are introduced to the flow initially; the interfacial waves take shape from the interplay between buoyancy, viscous force, and interfacial tension. CFD simulations are compared with published experimental observations, and found in qualitative agreement with each other. Both the CFD simulations and experiments show the wave amplitude reducing with increasing oil flow rate while keeping the water flow rate constant for a vertically upward flow. CFD simulation for a vertically downward flow shows the presence of very short waves of small amplitude, and the mean interfacial radius is larger than for the no‐gravity case. Moreover, the maximum velocity in the annular water film occurs between the interface and the wall, unlike the upward and no‐gravity cases where the maximum velocity in the water film occurs at the interface.
Forward Modeling of VTI Media in the Frequency‐Space Domain Based on an Average‐Derivative Optimal Method
Authors: Heng ZHANG , Hong LIU , Xiang‐De TANG , Yang WANG , Bao‐Jin ZHANG
Published: February 2016

This paper proposed a new kind of qP wave equation second‐order 9‐point scheme of two‐dimensional vertical transversely isotropic (VTI) media in the frequency‐space domain based on an average‐derivative optimal method (ADM for short). This scheme represents the finite‐difference approximations of the second‐order centered spatial‐derivative terms of two‐dimensional VTI media qP wave equation as the weighted average of 3 grid points in orthogonal directions and the acceleration term as the weighted average of all 9 grid points. Determining the optimal weighting coefficients of the second‐order centered spatial‐derivative terms and the acceleration term by using the least‐square optimal method to minimize numerical dispersion, the number of grid points per wavelength bounded by a phase velocity error range of ±1% is only 3.57. But the VTI conventional 9‐point scheme needs approximately 12 grid points per wavelength bounded by the same error range of ±1%, so the ADM method significantly increases the computational accuracy. The numerical example of the complex BP2007 2D VTI ocean standard model also proves the validity and precision of the VTI media ADM 9‐point scheme.