bluuebunny/crossref_metadata_2025 huggingface dataset:
Flexible Thermoelectric Polymer Composites Based on a Carbon Nanotubes Forest
Authors: Yusupov Khabib , Stumpf Steffi , You Shujie , Bogach Aleksei , Martinez Patricia M. , Zakhidov Anvar , Schubert Ulrich S. , Khovaylo Vladimir , Vomiero Alberto
Published: July 2018

Polymer‐based composites are of high interest in the field of thermoelectric (TE) materials because of their properties: abundance, low thermal conductivity, and nontoxicity. In applications, like TE for wearable energy harvesting, where low operating temperatures are required, polymer composites demonstrate compatible with the targeted specifications. The main challenge is reaching high TE efficiency. Fillers and chemical treatments can be used to enhance TE performance of the polymer matrix. The combined application of vertically aligned carbon nanotubes forest (VA‐CNTF) is demonstrated as fillers and chemical post‐treatment to obtain high‐efficiency TE composites, by dispersing VA‐CNTF into a poly (3,4‐ethylenedioxythiophene) polystyrene sulfonate matrix. The VA‐CNTF keeps the functional properties even in flexible substrates. The morphology, structure, composition, and functional features of the composites are thoroughly investigated. A dramatic increase of power factor is observed at the lowest operating temperature difference ever reported. The highest Seebeck coefficient and electrical conductivity are 58.7 µV K−1 and 1131 S cm−1, respectively. The highest power factor after treatment is twice as high in untreated samples. The results demonstrate the potential for the combined application of VA‐CNTF and chemical post‐treatment, in boosting the TE properties of composite polymers toward the development of high efficiency, low‐temperature, flexible TEs.
Hydrophobic and Electronic Properties of the E‐MoS2 Nanosheets Induced by FAS for the CO2 Electroreduction to Syngas with a Wide Range of CO/H2 Ratios
Authors: Lv Kuilin , Teng Chao , Shi Minhao , Yuan Yi , Zhu Ying , Wang Jingrong , Kong Zhuang , Lu Xianyong , Zhu Ying
Published: July 2018

The electrochemical CO2 reduction reaction (CO2RR) to produce CO and H2 (syngas) is a promising method for clean energy, but challenges remain, such as controlling the CO/H2 ratios required for the syngas yield. Herein, hydrophobic exfoliated MoS2 (H‐E‐MoS2) nanosheets are fabricated from bulk MoS2 by a cost‐effective ball‐milling method, followed by decoration with fluorosilane (FAS). H‐E‐MoS2 is a cost‐effective electrocatalyst capable of directly reducing CO2 and H2O for tuneable syngas production with a wide range of CO/H2 ratios (from 1:2 to 4:1). In addition, H‐E‐MoS2 shows a high current density, 61 mA cm−2 at −1.1 V, and the highest CO FE of 81.2% at −0.9 V, which are higher than those of unmodified MoS2. According to density functional theory calculations, FAS decoration on the surface of MoS2 electrode can change the electronic properties of the edge Mo atom, which facilitates the rate‐limiting CO‐desorption step, thus promoting CO2RR. Moreover, the hydrophobic surface of H‐E‐MoS2 depressed the H2 evolution reaction and created abundant three‐phase contact points that provided sufficient CO2. The hydrophobization of the electrode may provide an effective strategy for easily tuning the CO/H2 ratio of syngas in a large range for the direct electroreduction CO2 to syngas with an optimized CO/H2 ratio.
Microporosity‐Controlled Synthesis of Heteroatom Codoped Carbon Nanocages by Wrap‐Bake‐Sublime Approach for Flexible All‐Solid‐State‐Supercapacitors
Authors: Kale Vinayak S. , Hwang Minsik , Chang Hogeun , Kang Jeongmin , Chae Sue In , Jeon Youngmoo , Yang Jiwoong , Kim Jonghoon , Ko Yoon‐Joo , Piao Yuanzhe , Hyeon Taeghwan
Published: July 2018

Heteroatom‐doped carbon nanomaterials with high surface area and tunable microporosity are important but they generally require difficult and multistep syntheses. Herein, a simple and straightforward strategy is introduced that involves a wrap‐bake‐sublime approach to synthesize microporosity controlled and heteroatom codoped carbon nanocages. A zinc‐containing zeolitic imidazolate framework (ZIF‐8) core is wrapped in a cross‐linked oligomer containing nitrogen and phosphorus, oligo(cyclotriphosphazene‐co‐hexahydroxytriphenylene) (OCHT). As‐synthesized core–shell ZIF‐8‐OCHT nanoparticles are baked at high temperatures to sublimate zinc through OCHT shell, resulting in a porous structure. Meanwhile, hollow cavities are introduced into N,P codoped carbon nanocages (NPCNs) via the sacrificial nature of ZIF‐8 template. The microporosity is finely tuned by controlling thickness of the OCHT shell during synthesis of the core–shell nanoparticles, since the sublimation tendency of zinc component at high temperatures depends on the thickness of OCHT shell. A systematic correlation between the electrochemical performance of NPCNs and their microporosity is confirmed. Furthermore, the electrochemical performance of the NPCNs is related to the degree of heteroatom codoping. The approach is successfully scaled‐up without compromising their electrochemical performance. Finally, a symmetric and flexible all‐solid‐state‐supercapacitor with high energy and power density, and a long‐term cycleability is demonstrated (75% capacitance retention after 20 000 cycles).
Controllable, Wide‐Ranging n‐Doping and p‐Doping of Monolayer Group 6 Transition‐Metal Disulfides and Diselenides
Authors: Zhang Siyuan , Hill Heather M. , Moudgil Karttikay , Richter Curt A. , Hight Walker Angela R. , Barlow Stephen , Marder Seth R. , Hacker Christina A. , Pookpanratana Sujitra J.
Published: July 2018

Developing processes to controllably dope transition‐metal dichalcogenides (TMDs) is critical for optical and electrical applications. Here, molecular reductants and oxidants are introduced onto monolayer TMDs, specifically MoS2, WS2, MoSe2, and WSe2. Doping is achieved by exposing the TMD surface to solutions of pentamethylrhodocene dimer as the reductant (n‐dopant) and “Magic Blue,” [N(C6H4‐p‐Br)3]SbCl6, as the oxidant (p‐dopant). Current–voltage characteristics of field‐effect transistors show that, regardless of their initial transport behavior, all four TMDs can be used in either p‐ or n‐channel devices when appropriately doped. The extent of doping can be controlled by varying the concentration of dopant solutions and treatment time, and, in some cases, both nondegenerate and degenerate regimes are accessible. For all four TMD materials, the photoluminescence intensity; for all four materials the PL intensity is enhanced with p‐doping but reduced with n‐doping. Raman and X‐ray photoelectron spectroscopy (XPS) also provide insight into the underlying physical mechanism by which the molecular dopants react with the monolayer. Estimates of changes of carrier density from electrical, PL, and XPS results are compared. Overall a simple and effective route to tailor the electrical and optical properties of TMDs is demonstrated.
Reduced Graphene Oxide as a Stabilizing Agent in Perovskite Solar Cells
Authors: Milić Jovana V. , Arora Neha , Dar M. Ibrahim , Zakeeruddin Shaik Mohammed , Grätzel Michael
Published: July 2018

One of the most challenging obstacles to commercialization of perovskite solar cells (PSCs) is their instability toward environmental conditions. An emerging solution to overcome these challenges relies on graphene‐based composites, in particular, solution‐processable reduced graphene oxide (rGO), whose high electrical and thermal conductivity, along with beneficial passivation effects, display multifaceted utility in PSCs. This review provides a brief summary of functions of rGO in different PSC architectures, from a potential replacement for transparent conductive oxides, through usage in electron‐transporting and perovskite layers, with the particular emphasis on its application as a hole‐transporting material and a spacer layer. Despite ongoing research challenges, the synergy between rGO and PSCs promises to facilitate the future applications of efficient and stable PSCs.
Investigation on Drag Reduction Characteristics and Shell‐Side Hydrodynamics in Hollow Fiber Membrane Modules
Authors: Zhang Ting , Guo Kai , Li Chuanxi , Li Yue , Liu Chunjiang
Published: July 2018

A novel hollow fiber membrane module shell‐side model is fabricated, simulated, tested, and analyzed. The mathematical model consists of a six spaced bar‐shaped fiber and a vortex‐control tangential entrance with protuberance radians. The vortex shedding behavior is captured by the digital particle image velocimetry technique. The velocity vectors and vorticity fields are analyzed experimentally. Meanwhile, theturbulent model is established to identify the flow stagnate point/region transformation. Investigation of wall shear stress and surface pressure distributions around circular cylindrical fibers illustrate the mechanism of drag reduction tentatively. Afterward, the novel optimization module produces higher recovery rates of up to 1.56 times as compared to that of a conventional module in equivalent filtration condition. It indicates that by means of a hydrodynamics flow control strategy, the fabricated membrane module structure could potentially improve energy utilization efficiency in filtration processes.
Computational Spectroscopy of Ionic Liquids for Bulk Structure Elucidation
Authors: Saielli Giacomo
Published: July 2018

“Computational spectroscopy” refers to quantum chemistry protocols capable of predicting the electronic and/or magnetic spectra of molecules. The most common techniques used for structural assignment are infrared, electronic, and NMR spectroscopies. Chemists can normally deduce the chemical structure of an unknown substance by using a vast collection of empirical relationships linking the spectral features with the presence or absence of functional groups and, this part mostly by NMR, the connectivity between them and the relative stereochemistry. Computational spectroscopy is a powerful aid for structural elucidation when empirical relationships do not suffice to unambiguously assign the structure. In these cases, the calculated spectrum of a putative structure is compared with the experimental one and the match, or lack thereof, between the two, measured by several statistical parameters, indicates whether or not that structure is the correct one. Is it possible to extend such protocols to bulk phases of complex fluids, such as ionic liquids, rather than covalent molecules, in order to get insights into the average structure of the fluid? It is the aim of this Progress Report to highlight recent advances in this field through the discussion of specific case studies.
Simple and Low‐Cost Sampling of Cell‐Free Nucleic Acids from Blood Plasma for Rapid and Sensitive Detection of Circulating Tumor DNA
Authors: Jin Choong Eun , Koo Bonhan , Lee Tae Yoon , Han Kyudong , Lim Seok Byung , Park In Ja , Shin Yong
Published: July 2018

Cell‐free nucleic acids (cfNAs) are emerging diagnostic biomarkers for monitoring the treatment and recurrence of cancers. In particular, the biological role and clinical usefulness of cfNAs obtained from the plasma of patients with various cancers are popular and still intensely explored, yet most studies are limited by technical problems during cfNA isolation. A dimethyl dithiobispropionimidate (DTBP)‐based microchannel platform that enables spontaneous cfNA capture in 15 min with minimal cellular background and no requirements for use of bulky instruments is reported first. This platform identified KRAS and BRAF hot‐spot mutations following cfDNA isolation from the blood plasma and tissues obtained from 30 colorectal cancer patients. The correlation of mutations between the primary tissues and plasma from the patients was high using this platform with whole genome sequencing compared to the spin‐column method. This platform can also be combined with various detection approaches (biooptical sensor, Sanger sequencing, and polymerase chain reaction (PCR)) for rapid, simple, low‐cost, and sensitive circulating tumor DNA detection in blood plasma. The efficiency and versatility of this platform in isolating cfNAs from liquid biopsies has applications in cancer treatment and precision medicine.
Contribution of Mitophagy to Cell‐Mediated Mineralization: Revisiting a 50‐Year‐Old Conundrum
Authors: Pei Dan‐dan , Sun Jin‐long , Zhu Chun‐hui , Tian Fu‐cong , Jiao Kai , Anderson Matthew R. , Yiu Cynthia , Huang Cui , Jin Chang‐xiong , Bergeron Brian E. , Chen Ji‐hua , Tay Franklin R. , Niu Li‐na
Published: July 2018

Biomineralization in vertebrates is initiated via amorphous calcium phosphate (ACP) precursors. These precursors infiltrate the extracellular collagen matrix where they undergo phase transformation into intrafibrillar carbonated apatite. Although it is well established that ACP precursors are released from intracellular vesicles through exocytosis, an unsolved enigma in this cell‐mediated mineralization process is how ACP precursors, initially produced in the mitochondria, are translocated to the intracellular vesicles. The present study proposes that mitophagy provides the mechanism for transfer of ACP precursors from the dysfunctioned mitochondria to autophagosomes, which, upon fusion with lysosomes, become autolysosomes where the mitochondrial ACP precursors coalesce to form larger intravesicular granules, prior to their release into the extracellular matrix. Apart from endowing the mitochondria with the function of ACP delivery through mitophagy, the present results indicate that mitophagy, triggered upon intramitochondrial ACP accumulation in osteogenic lineage‐committed mesenchymal stem cells, participates in the biomineralization process through the BMP/Smad signaling pathway.
The Long‐Term Impact of Natural Mentoring Relationships: A Counterfactual Analysis
Authors: Hagler Matthew A. , Rhodes Jean E.
Published: July 2018

Previous research suggests that youth's natural mentoring relationships are associated with better academic, vocational, and psychosocial functioning. However, little is known about the extent to which the impact of mentoring endures beyond adolescence and early adulthood. Furthermore, most natural mentoring research is confounded by selection bias. In this study, we examined the long‐term impact of mentoring using the nationally representative, longitudinal Add Health dataset. We conducted counterfactual analysis, a more stringent test of causality than regression‐based approaches. Compared to their unmentored counterparts, adults (ages 33–42) who had a natural mentor during adolescence or emerging adulthood reported higher educational attainment, more time spent volunteering, and more close friends, after controlling for a range of confounding factors. However, outcomes differed when mentors were classified as “strong ties” (e.g., grandparents, friends) or “weak ties” (e.g., teachers, coaches, employers). Having a strong‐tie mentor was associated with having more close friends and a lower income. In contrast, having a weak‐tie mentor was associated with higher educational attainment, higher income, and more time spent volunteering. These findings suggest that natural mentoring relationships can exert lasting influence on young people's developmental trajectories, providing strong rationale for efforts to expand their availability and scope.
Photo‐Electrochemical C−H Bond Activation of Cyclohexane Using a WO3 Photoanode and Visible Light
Authors: Tateno Hiroyuki , Iguchi Shoji , Miseki Yugo , Sayama Kazuhiro
Published: July 2018

The photo‐electrochemical C−H bond activation of cyclohexane to produce cyclohexanol and cyclohexanone (KA oil) with high partial oxidation selectivity (99 %) and high current utilization ratio (76 %) was achieved in air at room temperature at atmospheric pressure. The production rate of KA oil was accelerated by applying a bias. The incident photon to current efficiencies at 365 and 420 nm were 57 % and 24 %, respectively.
Oxidative Stability of Rice Bran Wax Oleogels and an Oleogel Cream Cheese Product
Authors: Park Clifford , Bemer Hanna L. , Maleky Farnaz
Published: July 2018

Recently, a number of publications demonstrated the successful applications of oleogels (OG) (liquid oils gelled through organogelators) in food products. Although many highlighted the health benefits of OG, potential negative impacts of thermal processing during oleogelation on nutrition and flavor quality of the OG‐based food are not fully studied. Hence, in this study, an oleogel‐cream‐cheese (OCC) product was formulated and the effects of OG processing on the oil's oxidative stability and the tocopherol content were investigated. The OG system used in the cheese product was prepared with high‐oleic soybean oil (HOSO) and rice bran wax. An ungelled cream‐cheese sample (UGCC) and two commercial cream‐cheese products were used as controls. Although high‐performance liquid chromatography data analysis showed a lower total tocopherol content in OG samples compared to HOSO, the samples’ α‐tocopherol content remained comparable. No significant differences were observed between the total tocopherol contents of OCC and UGCC cheese products, and the amount of all three‐tocopherol isomers remained constant during 14 days of storage. Although oxidation analysis showed more volatile compounds in OG samples compared to HOSO, there was only a minor difference in the volatile content between the OCC and UGCC samples. The results show minimal degradation of vegetable OG due to the thermal processing and storage that may help their potential application in dairy products.
Characterization and Changes of Lymphocyte Subsets in Baricitinib‐Treated Patients With Rheumatoid Arthritis
Authors: Tanaka Yoshiya , McInnes Iain B. , Taylor Peter C. , Byers Nicole L. , Chen Lei , de Bono Stephanie , Issa Maher , Macias William L. , Rogai Veronica , Rooney Terence P. , Schlichting Douglas E. , Zuckerman Steven H. , Emery Paul
Published: July 2018

Objective

Baricitinib is an orally administered inhibitor of JAK1 and JAK2 that has been shown to be effective in treating rheumatoid arthritis (RA). This study was undertaken to analyze changes in lymphocyte cell subsets during baricitinib treatment and to correlate these changes with clinical outcomes.

Methods

An integrated analysis was conducted by pooling data from 3 completed phase III trials comparing placebo with baricitinib treatment (RA‐BEAM, RA‐BUILD, and RA‐BEACON) and 1 ongoing long‐term extension study (RA‐BEYOND) in patients with active RA (n = 2,186).

Results

Baricitinib treatment was associated with an early transient increase in total lymphocyte count at week 4, which returned to baseline by week 12. Transient changes within normal reference ranges in T cells and subsets were observed with baricitinib treatment, up to week 104. B cells and relevant subpopulations increased after 4 weeks of baricitinib treatment, with no further increases noted through 104 weeks of treatment. Natural killer (NK) cells temporarily increased after 4 weeks of baricitinib treatment, before decreasing below baseline levels and then stabilizing over time. With baricitinib treatment, few correlations were observed between changes in lymphocyte subsets and clinical end points, and most correlations were also observed within the placebo group. A modest potential association between low NK cell numbers and treatment‐emergent infections was observed in the baricitinib 4 mg/day treatment group, but not for serious infections or herpes zoster.

Conclusion

Overall, these findings demonstrate that changes in lymphocyte subsets were largely within normal reference ranges across the baricitinib phase III RA clinical program and were not associated with increased risk of serious infections.
The origins of Zipf's meaning‐frequency law
Authors: Ferrer‐i‐Cancho Ramon , Vitevitch Michael S.
Published: July 2018

In his pioneering research, G.K. Zipf observed that more frequent words tend to have more meanings, and showed that the number of meanings of a word grows as the square root of its frequency. He derived this relationship from two assumptions: that words follow Zipf's law for word frequencies (a power law dependency between frequency and rank) and Zipf's law of meaning distribution (a power law dependency between number of meanings and rank). Here we show that a single assumption on the joint probability of a word and a meaning suffices to infer Zipf's meaning‐frequency law or relaxed versions. Interestingly, this assumption can be justified as the outcome of a biased random walk in the process of mental exploration.
Event‐triggered Guaranteed Cost Consensus of Networked Singular Multi‐agent Systems
Authors: Xu Qiyi , Zhang Yijun , Xiao Shunyuan
Published: July 2018

The problem of event‐triggered guaranteed cost consensus of discrete‐time singular multi‐agent systems with switching topologies is investigated in this paper. To save the limited network communication bandwidth of multi‐agent systems, a novel event‐triggered networked consensus mechanism is proposed. Based on the graph theory and singular system theory, sufficient conditions of guaranteed‐cost consensus of discrete‐time singular multi‐agent systems are derived and given in the form of the linear matrix inequalities, respectively. A co‐design approach of the multi‐agent consensus gain matrix and the event‐triggered parameters is presented. Furthermore, based on the approach of second class equivalent transformation for singular systems, the cost function is determined, and an explicit expression of consensus functions is presented. Finally, a numerical example is provided to illustrate the effectiveness of the proposed method.
The investigation of protective effects of isosteviol sodium on cerebral ischemia by metabolomics approach using ultra‐high‐performance liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry
Authors: Yang Yang , Yang Jina , Zhang Hao , Mo Canlong , Zhou Ting , Tan Wen
Published: July 2018

Cerebral ischemia remains a major cause of mortality and a long‐term disability with limited therapies. Isosteviol sodium (STV‐Na) was proved to exert significant protective effects on cerebral ischemia, but the protective mechanism was not understood. In this study, the protective effects of STV‐Na on cerebral ischemia were investigated by the metabolomics approach based on ultra‐high performance liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry technique. The models of ischemic rats were established and the brain tissues were employed for metabolomics analyses. The principal component analysis showed that the model group was clearly separated from the sham group, while both STV‐Na and edaravone groups were located between the sham and the model groups, which indicated that STV‐Na as well as edaravone had protective effects on cerebral ischemia. Eighteen differential metabolites which had significant differences between the sham and the model groups were screened and identified. After the administration of STV‐Na, all 18 differential metabolites were regulated to the levels between the sham and the model groups, and 12 of them presented significant differences between the model and STV‐Na groups. The pathway analysis indicated that the protective effects of STV‐Na on cerebral ischemia might be associated with the regulation of several metabolic pathways, i.e. glycerophospholipid metabolism, arachidonic acid metabolism and linoleic acid metabolism.
Sensory evaluation of Chinese white salted noodles and steamed bread made with Australian and Chinese wheat flour
Authors: Liu Rui , Solah Vicky Ann , Wei Yimin , Wu Guiling , Wang Xulin , Crosbie Graham , Fenton Haelee
Published: July 2018

Background and objectives

Chinese white salted noodles (CWSN) and steamed bread (CSB) are staple foods and represent approximately 65% of wheat consumption in China. Sensory evaluation was used to measure the quality attributes of selected Australian wheat varieties and Chinese commercial wheat for Chinese white salted noodle and northern style steamed bread. Descriptive parameters for Chinese sensory evaluation are described and tested using a Chinese‐trained expert sensory panel.

Findings

The results showed that flour from selected Australian wheat varieties had better gluten properties, dough mixing characteristics and starch properties compared with the commercial Chinese wheat flours evaluated. Improved sensory evaluation scores in noodle firmness, stickiness, elasticity, smoothness, and flavor resulted in a significantly higher total quality score (p < 0.05) for all Australian wheat flours and blends (60% and 74% extraction) compared with the two Chinese wheat flours for CWSN. Sensory evaluation scores for steamed bread from the Australian wheat variety Mace (60% and 74% extraction) were equal to the best Chinese gold standard flour (49% extraction) and significantly higher (p < 0.05) than Chinese flour of 69% extraction. The Australian flours with protein content 9%–10.5% produced higher quality white salted noodles and steamed bread than the higher protein 12.0% Chinese flours. The highest scoring noodles at 78.5–79.5 points were Australian Mace, and Mace and Zen blends. The highest scoring Chinese steamed bread at 85.7 points was Mace at 60% extraction.

Conclusions

The features of the Australian 60% extraction flours were higher noodle firmness, elasticity, and smoothness scores and improved flavor compared with the 49% extraction Chinese gold standard flour. Noodle sensory evaluation results showed significantly higher (p < 0.05) total scores for the Australian flours compared with noodles made with the two high‐quality Chinese wheat flours. The features of Australian 60% extraction flour were ideal for steamed bread characteristics: mouthfeel, stickiness, texture, and elasticity/firmness. Steamed bread made from Mace flour (60% and 75% extraction) showed a significantly higher total score compared with steamed bread made from Chinese wheat flour (69% extraction). The demand for improved wheat quality in China is growing, and future research is needed to investigate quality of newly released Australian and Chinese wheat varieties.

Significance and novelty

This research contributes to defining sensory quality testing methods and quality characteristics for Chinese white salted noodles and steamed bread. Mace and Zen blends were tested for sensory quality by a Chinese expert sensory panel.
Incorporation of Ti as a Pyramidal Framework Site in the Mono‐Layered MCM‐56 Zeolite and its Oxidation Activity
Authors: Korzeniowska Aleksandra , Grzybek Justyna , Roth Wieslaw J. , Kowalczyk Andrzej , Michorczyk Piotr , Čejka Jiři , Přech Jan , Gil Barbara
Published: July 2018

MWW zeolite MCM‐56 with Al atoms on the surface was functionalized with Ti to produce pyramidal TiOH groups. This was carried out by removal of Al with nitric acid, calcination and treatment with titanium diisopropoxide bis(acetylacetonate) (Ti(acac)2 (i‐propoxide)2, Ti(acac)2OiPr2). Up to 0.7 % Ti was introduced. Using UV‐Vis spectroscopy three types of Ti moieties were identified in the uncalcined materials – tetrahedral in the framework, 5/6‐coordinated Ti on the surface, presumably in the vacated pyramidal sites, and oxide‐like clusters. The presence of TiOH on the surface was indicated by in situ measurement of UV‐Vis spectra during calcination. It showed the band at 290 nm, which disappeared at 500 °C, perhaps due to condensation with silanols. Catalytic oxidation tests were carried out with three samples containing 0.13, 0.36, and 0.70 % Ti and methyl phenyl sulfide and cis‐cyclooctene as model reactants. The study confirmed potential of the TiOH moieties in oxidation catalysis although their final form is not certain. Future studies will include increasing Ti content to enhance catalytic activity and better detection of this type of the Ti site.
Enhancing the Corrosion Resistance of Epoxy Coatings by Impregnation with a Reduced Graphene Oxide‐Hydrophobic Ionic Liquid Composite
Authors: Li ZeShan , Wang XinXing , Zhang YuBing , Jing CuiJie
Published: July 2018

Conventional epoxy resin fails as corrosion protection in long‐term soaking in water as pores are developing. Here, a modified epoxy coating with enhanced corrosion resistance was fabricated by impregnation with functionalized reduced graphene oxide‐hydrophobic ionic liquid (RGO‐IL) nano composites. The modified RGO was characterized by scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT‐IR), electrochemical impedance spectroscopy and simulated immersion experiments. Compared to epoxy resin (ER) coatings without RGO‐IL nano composites, the ER with RGO nano composites showed higher hydrophobicity in contact angle tests. In electrochemical experiments on Q235 substrates coated with the RGO‐IL/ER composite, enhanced barrier properties and excellent corrosion protection was found. A more hydrophobic interface was built, and the nano composite material of RGO‐IL was easy to prepare and cost efficient. We speculated that the presence of the ionic liquids also improves the dispersion properties of RGO in ER, and thereby further improving its barrier effect. In addition, the hydrophobic ionic liquid itself had a hindrance to water molecules and chloride ions. The highlight of our work is the combination of the corrosion inhibition of the hydrophobic ionic liquids with the barrier effect of RGO.
Hydrogen Bonding of N‐Heterocyclic Carbenes in Solution: Mechanisms of Solvent Reorganization
Authors: Gehrke Sascha , Hollóczki Oldamur
Published: July 2018

Invited for the cover of this issue are Sascha Gehrke and Oldamur Hollóczki at the University of Bonn. The image depicts how N‐heterocyclic carbenes exchange hydrogen bonding partners in solution. The “breakup” with the old partner happens either before or after forming a connection with the new. Read the full text of the article at 10.1002/chem.201802286.
Reversible Spatial Control in Aqueous Media by Visible Light: A Thioindigo Photoswitch that is Soluble and Operates Efficiently in Water
Authors: Koeppe Benjamin , Römpp Florian
Published: July 2018

Aiming to extend the scope of indigoid photoswitches to polar protic environments, we have synthesized a sulfonated thioindigo derivative highly soluble in water. Studies by UV/Vis absorption, fluorescence, and NMR spectroscopy indicate that, despite aggregation effects at micromolar concentrations, the novel dye offers satisfactory performance in aqueous solution in the absence of solvation aides. Enrichment of the metastable cis isomer by irradiation may exceed 65 % and its half‐life at room temperature may exceed several hours. Degradation after 20 yellow and blue light irradiation cycles within 2 hours is less than 2 %. Performance can be expected to further improve in future molecular designs if the tendency towards self‐association is further reduced. Crucially, photoisomerization of indigoids is not necessarily inhibited by water and, thus, the superior spatial control offered by this class of molecular switches may be of great benefit also in biological systems.
Palladium(0)‐Catalyzed Si—Si Bond Insertion by the Terminal Nitrogen of Diazo Compounds
Authors: Liu Zhenxing , Fu Tianren , Huo Jingfeng , Feng Sheng , Wang Jianbo
Published: July 2018

The palladium(0)‐catalyzed nitrogen insertion into cyclic Si—Si bonds has been realized by using N‐tosylhydrazones/diazo compounds as the nitrogen source. The palladium(II) nitrene formation and subsequent migratory insertion process are proposed as the key steps for this reaction.
The Chemistry of Fullerene‐Mixed Peroxides
Authors: Gan Liangbing
Published: July 2018

Peroxy radicals such as ButOO· add to fullerenes efficiently to form isomerically pure multiadducts, for example, C60(OOBut)6. The fullerene‐ mixed peroxides exhibit rich chemical reactivity. Further transformation of the peroxy groups has resulted in fullereneols, open‐cage fullerenes, aza‐ and oxafullerenes and/or fulleroids. Practical applications such as photoinitiator remain to be explored for these fullerene‐mixed peroxides.
The new screening program to prevent cervical cancer using HPV DNA: getting the balance right in maintaining quality
Authors: Garland Suzanne M , Dimech Wayne , Collignon Peter ,   On behalf of the Australian Clinical Microbiologists Infectious Diseases Group, Cooley Louise , Nimmo Graeme R , Smith David W , Baird Rob , Rawlinson William , Costa Anna‐Maria , Higgins Geoff
Published: July 2018

Along with the reduction in human papillomavirus (HPV) infection and cervical abnormalities as a result of the successful HPV vaccination program, Australia is adopting a new screening strategy. This involves a new paradigm moving from cervical cytological screening to molecular nucleic acid technology (NAT), using HPV DNA assays as primary screening methodology for cervical cancer prevention. These assays must strike a balance between sufficient clinical sensitivity to detect or predict high‐grade cervical intraepithelial lesions, the precursor to cervical cancer, without being too sensitive and detecting transient infection not destined for disease. Ensuring the highest quality HPV NAT is thus a priority in order to reduce the possibility of falsely negative screens and manage the risk associated with false positive HPV NAT test results. How to do this needs informed discussion and on‐going refinement of the screening algorithm. This is of relevance as more countries move to more sensitive HPV NAT tests for secondary prevention of cervical cancer and as more HPV assays become available.
Current status of clinical testing for human papillomavirus in oropharyngeal squamous cell carcinoma
Authors: Kim Kelly Y , Lewis James S , Chen Zhong
Published: July 2018

While a variety of human papillomavirus (HPV) tests and surrogate markers are available, currently there is no consensus on the best detection method(s) that should be used to identify HPV‐related oropharyngeal squamous cell carcinomas and serve as a standard test (or tests) for routine diagnostic use. As we begin to consider using the results of HPV testing for clinical purposes beyond simple prognostication, such as making decisions on treatment dose or duration or for targeted therapies that may be highly dependent on viral‐mediated pathways, we need to be more rigorous in assessing and ensuring the performance of the test (or tests) used. Here we provide an overview of the platforms and technologies, including the strengths and limitations of each test, and discuss what steps are needed to generate confidence in their performance for use in clinical practice.
On the Implication of Water on Fragment‐to‐Ligand Growth in Kinase Binding Thermodynamics
Authors: Wienen‐Schmidt Barbara , Wulsdorf Tobias , Jonker Hendrik R. A. , Saxena Krishna , Kudlinzki Denis , Linhard Verena , Sreeramulu Sridhar , Heine Andreas , Schwalbe Harald , Klebe Gerhard
Published: July 2018

A ligand‐binding study is presented focusing on thermodynamics of fragment expansion. The binding of four compounds with increasing molecular weight to protein kinase A (PKA) was analyzed. The ligands display affinities between low‐micromolar to nanomolar potency despite their low molecular weight. Binding free energies were measured by isothermal titration calorimetry, revealing a trend toward more entropic and less enthalpic binding with increase in molecular weight. All protein–ligand complexes were analyzed by crystallography and solution NMR spectroscopy. Crystal structures and solution NMR data are highly consistent, and no major differences in complex dynamics across the series are observed that would explain the differences in the thermodynamic profiles. Instead, the thermodynamic trends result either from differences in the solvation patterns of the conformationally more flexible ligand in aqueous solution prior to protein binding as molecular dynamics simulations suggest, or from local shifts of the water structure in the ligand‐bound state. Our data thus provide evidence that changes in the solvation pattern constitute an important parameter for the understanding of thermodynamic data in protein–ligand complex formation.
Hepatitis C Virus Infection of Cultured Cells and Primary Human Hepatocytes
Authors: Lowey Brianna , Li Qisheng
Published: July 2018

Hepatitis C virus (HCV) is a positive‐sense, single‐stranded RNA virus in the family Flaviviridae with specific hepatotropism. HCV poses a significant health burden worldwide, frequently causing chronic infections associated with progressive liver damage and various extrahepatic manifestations. In recent years, the development of several permissive cell culture (HCVcc) systems has allowed for in vitro propagation of HCV, study of the viral life cycle and virus–host interactions, and identification of novel antivirals. Here we describe the use of human hepatoma cell lines Huh7 and HepG2/CD81/miR‐122, as well as primary human hepatocytes (PHHs), for HCV infection and propagation. We also provide protocols for the quantitative analysis of intracellular and extracellular HCV RNA and detection of HCV core protein expression by immunostaining. In addition, we describe methods to manipulate cellular gene expression, including transfection of small interfering RNAs (siRNAs) targeting HCV host factors or overexpressing cellular microRNAs in hepatocytes, to assess their effects on productive HCV infection and liver pathogenesis. © 2018 by John Wiley & Sons, Inc.
Metabolic Labeling of Prenylated Proteins Using Alkyne‐Modified Isoprenoid Analogues
Authors: Suazo Kiall F. , Hurben Alexander K. , Liu Kevin , Xu Feng , Thao Pa , Sudheer Ch. , Li Ling , Distefano Mark D.
Published: July 2018

Protein prenylation involves the attachment of a farnesyl or geranylgeranyl group onto a cysteine residue located near the C‐terminus of a protein, recognized via a specific prenylation motif, and results in the formation of a thioether bond. To identify putative prenylated proteins and investigate changes in their levels of expression, metabolic labeling and subsequent bioorthogonal labeling has become one of the methods of choice. In that strategy, synthetic analogues of biosynthetic precursors for post‐translational modification bearing bioorthogonal functionality are added to the growth medium from which they enter cells and become incorporated into proteins. Subsequently, the cells are lysed and proteins bearing the analogues are then covalently modified using selective chemical reagents that react via bioorthogonal processes, allowing a variety of probes for visualization or enrichment to be attached for subsequent analysis. Here, we describe protocols for synthesizing several different isoprenoid analogues and describe how they are metabolically incorporated into mammalian cells, and the incorporation into prenylated proteins visualized via in‐gel fluorescence analysis. © 2018 by John Wiley & Sons, Inc.
Bioequivalence of Olanzapine Given in Combination With Samidorphan as a Bilayer Tablet (ALKS 3831) Compared With Olanzapine‐Alone Tablets: Results From a Randomized, Crossover Relative Bioavailability Study
Authors: Sun Lei , McDonnell David , Liu Jianjun , von Moltke Lisa
Published: July 2018

The objective of this study was to evaluate the relative bioavailability of olanzapine in 3 olanzapine‐containing tablet formulations. ALKS 3831 is a fixed‐dose combination of olanzapine (OLZ, an atypical antipsychotic) and samidorphan (SAM, a μ‐opioid receptor antagonist with low intrinsic activity at δ‐ and κ‐opioid receptors), intended to provide the efficacy of OLZ while mitigating its known weight and metabolic effects. Relative bioavailability of OLZ in ALKS 3831, a bilayer tablet containing OLZ and SAM, a matching bilayer tablet containing OLZ only (OLZ), and Zyprexa (brand olanzapine [B‐OLZ]) was assessed in an open‐label study. Forty‐eight healthy volunteers were randomly assigned to receive single oral doses of ALKS 3831 (10 mg OLZ/10 mg SAM), OLZ (10 mg OLZ), and B‐OLZ (10 mg B‐OLZ) on day 1 of each treatment period. Blood samples for pharmacokinetic evaluation were collected before and after each dose. Ratios of OLZ AUC0‐∞, AUC0‐t, and Cmax were compared between treatments and tested for bioequivalence, determined by 90%CIs of the geometric mean ratios (GMRs). GMRs of OLZ AUC0‐∞, AUC0‐t, and Cmax were close to 1, and the 90%CIs of the GMRs were contained within the bioequivalence limit of 80%–125% for comparison of ALKS 3831 with B‐OLZ, ALKS 3831 with OLZ, and OLZ with B‐OLZ, demonstrating bioequivalence of OLZ in ALKS 3831, OLZ, and B‐OLZ.
Relative Bioavailability and Food Effect Evaluation for 2 Tablet Formulations of Asciminib in a 2‐Arm, Crossover, Randomized, Open‐Label Study in Healthy Volunteers
Authors: Menssen Hans D. , Quinlan Michelle , Kemp Charisse , Tian Xianbin
Published: July 2018

Asciminib (ABL001) is an orally administered allosteric inhibitor of the BCR‐ABL tyrosine kinase. The current study evaluated the relative bioavailability of its 2 tablet variants, AAA and NXA, compared with the capsule CSF and assessed the impact of food in healthy participants in a 2‐arm, randomized, open‐label, 4‐way crossover design. The primary pharmacokinetic parameters analyzed were area under the plasma concentration‐time curve (AUC) from time 0 to the time of last measurable concentration (AUClast), AUC from time 0 to infinity (AUCinf), and peak concentration (Cmax). Forty‐five healthy volunteers were enrolled, 22 in the AAA arm and 23 in the NXA arm. Under fasting conditions, the AUCinf, AUClast, and Cmax of the AAA tablet were similar to those of the capsule, but slightly higher (∼20%) for NXA and decreased with a high‐fat meal (∼65%) and a low‐fat meal (∼30%) for both tablet formulations. Overall, 20 participants (9 in the AAA arm; 11 in the NXA arm) experienced at least 1 adverse event, the most common in both arms being headache. The study showed that under fasting conditions, tablet AAA had bioavailability similar to that in the capsule CSF. The bioavailability of both tablet formulations decreased with food, with a more pronounced effect observed with a high‐fat meal.
Exploring reward system responsivity in the nucleus accumbens across chronicity of binge eating in female rats
Authors: Hildebrandt Britny A. , Sinclair Elaine B. , Sisk Cheryl L. , Klump Kelly L.
Published: July 2018

Objective

Research has highlighted the importance of reward‐based processes in binge eating (BE). However, both increased and decreased activation have been observed in reward related brain regions for BE. Differences may be similar to addiction research, where the reward system is initially hyper‐responsive at early stages of use, but becomes hypo‐responsive with prolonged drug/alcohol use. This study was the first to examine differences in reward system responsivity at early versus chronic BE stages.

Method

Using an animal model, Sprague–Dawley female rats were identified as BE prone (BEP) or BE resistant (BER) and randomly assigned to an early or chronic stage group. Neural activation (via Fos protein) was quantified in the nucleus accumbens core (NAC) and shell (NAS).

Results

Early stage BEP rats had the highest levels of Fos expression of all of the study groups. By contrast, chronic stage BEP rats exhibited decreased activation in the NAS and NAC that was similar to the activation in chronic stage BER rats.

Discussion

Findings are significant in suggesting hyper‐neural activation to reward in the early stages of BE and decreased activation in later stages of BE. Additional studies are needed to elucidate how these differences may impact risk for and maintenance of BE.
Rates of abstinence following psychological or behavioral treatments for binge‐eating disorder: Meta‐analysis
Authors: Linardon Jake
Published: July 2018

Objective

Standardized effect sizes reported in previous meta‐analyses of binge‐eating disorder (BED) treatment are sometimes difficult to interpret and are criticized for not being a useful indicator of the clinical importance of a treatment. Abstinence from binge eating is a clinically relevant component of a definition of a successful treatment outcome. This meta‐analysis estimated the prevalence of patients with BED who achieved binge eating abstinence following psychological or behavioral treatments.

Method

This meta‐analysis included 39 randomized controlled trials, with 65 treatment conditions and 2,349 patients. Most conditions comprised cognitive‐behavioral therapy (n = 40). Pooled event rates were calculated at posttreatment and follow‐up using random effects models.

Results

The total weighted percentage of treatment‐completers who achieved abstinence at posttreatment was 50.9% (95% CI = 43.9, 57.8); this estimate was almost identical at follow‐up (50.3%; 95% CI = 43.6, 56.9). The total weighted percentage of patients who achieved abstinence at posttreatment in the intention‐to‐treat analysis (all randomized patients) was 45.1% (95% CI =40.7, 49.5), and at follow‐up it was 42.3% (95% CI =37.5, 47.2). Interpersonal psychotherapy (IPT) produced the highest abstinence rates. Clinician‐led group treatments produced significantly higher posttreatment (but not follow‐up) abstinence estimates than guided self‐help treatments. Neither timeframe for achieving abstinence, assessment type (interview/questionnaire), number of treatment sessions, patient demographics, nor trial quality, moderated the abstinence estimates.

Discussion

The present findings demonstrate that 50% of patients with BED do not fully respond to treatment. Continued efforts toward improving eating disorder treatments are needed.
Heterogeneous weight restoration trajectories during partial hospitalization treatment for anorexia nervosa
Authors: Berona Johnny , Richmond Rebekah , Rienecke Renee D.
Published: July 2018

Early response to treatment has been shown to predict good outcome in family‐based treatment, but little is known about who responds quickly.

Objective

The purpose of the current study was to examine the short‐term weight gain trajectories among youth receiving partial hospitalization program services for anorexia nervosa (AN), and to identify predictors of these trajectories.

Method

Adolescent and young adults (n = 102) with AN or subthreshold AN completed semi‐structured interviews and self‐report measures on admission to a family‐based partial hospitalization program. Patients participated in programming 5 days a week.

Results

Three weight gain trajectories were found to indicate slow, moderate, and rapid weight gain trajectories. All rapid responders gained at least four lbs. in the first 4 weeks of treatment, compared to 86.1% of moderate responders and 51.2% of slow responders. Patients were less likely to have a moderate or rapid response trajectory if they had a mood disorder diagnosis and higher parental expressed emotion. Additionally, the presence of compensatory behavior increased the likelihood of having a rapid response.

Discussion

Despite the sometimes chronic nature of AN, most patients fell into one of the two favorable response trajectories. The identification of these trajectories underscores the importance of considering the core disordered eating behaviors (i.e., restricting, binge eating, and purging), comorbid psychopathology, and parental expressed emotion.