bluuebunny/crossref_metadata_2025 huggingface dataset:
Superhydrophobic Blood‐Repellent Surfaces
Authors: Jokinen Ville , Kankuri Esko , Hoshian Sasha , Franssila Sami , Ras Robin H. A.
Published: February 2018

Superhydrophobic surfaces repel water and, in some cases, other liquids as well. The repellency is caused by topographical features at the nano‐/microscale and low surface energy. Blood is a challenging liquid to repel due to its high propensity for activation of intrinsic hemostatic mechanisms, induction of coagulation, and platelet activation upon contact with foreign surfaces. Imbalanced activation of coagulation drives thrombogenesis or formation of blood clots that can occlude the blood flow either on‐site or further downstream as emboli, exposing tissues to ischemia and infarction. Blood‐repellent superhydrophobic surfaces aim toward reducing the thrombogenicity of surfaces of blood‐contacting devices and implants. Several mechanisms that lead to blood repellency are proposed, focusing mainly on platelet antiadhesion. Structured surfaces can: (i) reduce the effective area exposed to platelets, (ii) reduce the adhesion area available to individual platelets, (iii) cause hydrodynamic effects that reduce platelet adhesion, and (iv) reduce or alter protein adsorption in a way that is not conducive to thrombus formation. These mechanisms benefit from the superhydrophobic Cassie state, in which a thin layer of air is trapped between the solid surface and the liquid. The connections between water‐ and blood repellency are discussed and several recent examples of blood‐repellent superhydrophobic surfaces are highlighted.
Design of Hierarchal 3D Metal Oxide Structures for Water Oxidation and Purification
Authors: Diab Mahmud , Shreteh Karam , Afik Noa , Volokh Michael , Abramovich Sigal , Abdu Uri , Mokari Taleb
Published: February 2018

Given their unique properties, tremendous progress is realized in the use of nanostructured materials for various applications. However, their incorporation and fabrication into prototypic devices remain challenging due to their limited ability to form hierarchical 3D structures through the use of large scale, low cost, and facile processes. Herein, this challenge is addressed and the growth of unique hierarchical structures is demonstrated by coating calcareous foraminiferal shells with metal oxide materials via simple and inexpensive processes conducted on a large scale. Foraminifera are highly diverse and abundant marine unicellular protists surrounded by large, ranging from 0.1 mm to more than 200 mm in size, identical porous, and complex hierarchical shells. In the present study, these hierarchal structures are investigated in electrochemical water oxidation reactions and tested in terms of their ability to purify water from inorganic (metal ions) contaminates. The remarkable performances of the prototype filters and catalysts developed here, among the best recorded values in both fields, are reported. These findings thus open new perspectives for catalytic and water purification applications.
Strategic Synthesis of Ultrasmall NiCo2O4 NPs as Hole Transport Layer for Highly Efficient Perovskite Solar Cells
Authors: Ouyang Dan , Xiao Junyan , Ye Fei , Huang Zhanfeng , Zhang Hong , Zhu Lu , Cheng Jiaqi , Choy Wallace C. H.
Published: February 2018

This study proposes a novel strategy of controllable deamination of Co–NH3 complexes in a system containing Ni(OH)2 to synthesize ultrasmall ternary oxide nanoparticles (NPs), NiCo2O4. Through this approach, ultrasmall (5 nm on average) and well‐dispersed NiCo2O4 NPs without exotic ligands are obtained, which enables the formation of uniform and pin‐hole free films. The tightly covered NiCo2O4 films also facilitate the formation of large perovskite grains and thus reduce film defects. The results show that with the NiCo2O4 NPs as the hole transport layer (HTL), the perovskite solar cells reach a high power conversion efficiency (PCE) of 18.23% and a promising stability (maintained ≈90% PCE after 500 h light soaking). To the best of the author's knowledge, it is the first time that spinel NiCo2O4 NPs have been applied as hole transport layer in perovskite solar cells successfully. This work not only demonstrates the potential applications of ternary oxide NiCo2O4 as HTLs in hybrid perovskite solar cells but also provides an insight into the design and synthesis of ultrasmall and ligand‐free NPs HTLs to enable cost‐effective photovoltaic devices.
Transition Metal Sulfides Based on Graphene for Electrochemical Energy Storage
Authors: Geng Pengbiao , Zheng Shasha , Tang Hao , Zhu Rongmei , Zhang Li , Cao Shuai , Xue Huaiguo , Pang Huan
Published: February 2018

Transition metal sulfides, as an important class of inorganics, can be used as excellent electrode materials for various types of electrochemical energy storage, such as lithium‐ion batteries, sodium‐ion batteries, supercapacitors, and others. Recent works have identified that mixing graphene or graphene derivatives with transition metal sulfides can result in novel composites with better electrochemical performance. This review summarizes the latest advances in transition metal sulfide composites with graphene or graphene derivatives. The synthetic strategies and morphologies of these composites are introduced. The authors then discuss their applications in lithium‐ion batteries, sodium‐ion batteries, and supercapacitors. Finally, the authors give their personal viewpoints about the challenges and opportunities for the future development about this direction.
Device Characteristics of an 11.4% CZTSe Solar Cell Fabricated from Sputtered Precursors
Authors: Taskesen Teoman , Neerken Janet , Schoneberg Johannes , Pareek Devendra , Steininger Vincent , Parisi Jürgen , Gütay Levent
Published: February 2018

Kesterite is an attractive material for absorber layers in thin film photovoltaics. Solar cells based on kesterite have shown a substantial progress over the last decade; nevertheless, further improvements in device efficiency are pending due to the open‐circuit voltage (Voc) deficit (i.e., difference between the maximum V oc that can be achieved according to Shockley–Queisser limit and actual V oc from the device). In this study, the optoelectronic properties of the author's internal record Cu2ZnSnSe4 solar cell, which shows a power conversion efficiency of 11.4%, are presented. The device measurements reveal a Voc deficit of 337 mV, which is one of the lowest V oc deficits in the literature. Moreover, an unusual behavior for kesterite is observed: (i) photon energy of the photoluminescence emission and (ii) the extrapolated V oc for 0 K are both matching the band gap region of the absorber. These results indicate a significant improvement in the recombination characteristics and absorber quality in comparison to other kesterite devices in literature.
Synthesis, Characterization, and Properties of Di‐ and Trinitromethyl‐1,2,4‐Oxadiazoles and Salts
Authors: Hermann Tobias S. , Klapötke Thomas M. , Krumm Burkhard , Stierstorfer Jörg
Published: February 2018

The syntheses of 3‐trinitromethyl‐(1,2,4‐oxadiazol‐5‐one), its N‐methyl derivative, and 5‐methyl‐3‐trinitromethyl‐1,2,4‐oxadiazole are described. The synthetic strategy initially involved a ring‐closing step to afford the oxadiazole acetic acid ethyl esters. The saponification of these compounds led to the formation of the acetic acid derivatives, which were nitrated in a mixture of acids to yield the trinitromethyl derivatives. The three energetic compounds showed good detonation performance [detonation velocity (VDet): 8779–8804 m s−1] as well as good specific impulses (Is: 244–262 s). Furthermore, by starting from the 1,2,4‐oxadiazole ethyl esters, we were able to prepare the potassium, barium, and ammonium salts of various dinitromethyl‐1,2,4‐oxadiazoles. All compounds were comprehensively characterized by vibrational spectroscopy (IR, Raman), NMR spectroscopy, differential thermal analysis (DTA), elemental analysis, and single crystal X‐ray diffraction.
The characteristics of patients with hypermagnesemia who underwent emergency hemodialysis
Authors: Nishikawa Mana , Shimada Noriaki , Kanzaki Motoko , Ikegami Tetsunori , Fukuoka Toshio , Fukushima Masaki , Asano Kenichiro
Published: February 2018

Aim

This study aimed to clarify the characteristics of patients who presented with severe hypermagnesemia and subsequently underwent emergency hemodialysis.

Methods

We investigated the age, gender, complications, clinical symptoms, causal drugs, electrocardiogram findings, and laboratory data of 15 patients.

Results

Magnesium oxide had been administered in all cases and 14 patients were over 65 years old. The male : female ratio was 6:9. Chief complaints included a disturbance of consciousness, hypotension, bradycardia, and respiratory failure. The median serum magnesium value before hemodialysis was 6.0 (3.7–18.6) mg/dL. The daily dosage of magnesium oxide was ≤ 2.0 g in 12 cases. The median serum creatinine value before hemodialysis was 5.39 (0.54–10.29) mg/dL. However, in two cases, the creatinine value was not elevated. Complications of acute kidney injury exacerbated the hypermagnesemia in nine cases.

Conclusions

We recommend that the serum magnesium value should be measured in older patients who are taking magnesium oxide and are showing signs and symptoms of a disturbance of consciousness, hypotension, bradycardia, and respiratory failure of an uncertain etiology, even if the serum creatinine value is not elevated or the dosage of magnesium oxide is within recommended levels.
Seizures and disturbed brain potassium dynamics in the leukodystrophy megalencephalic leukoencephalopathy with subcortical cysts
Authors: Dubey Mohit , Brouwers Eelke , Hamilton Eline M.C. , Stiedl Oliver , Bugiani Marianna , Koch Henner , Kole Maarten H.P. , Boschert Ursula , Wykes Robert C. , Mansvelder Huibert D. , van der Knaap Marjo S. , Min Rogier
Published: February 2018

Objective

Loss of function of the astrocyte‐specific protein MLC1 leads to the childhood‐onset leukodystrophy “megalencephalic leukoencephalopathy with subcortical cysts” (MLC). Studies on isolated cells show a role for MLC1 in astrocyte volume regulation and suggest that disturbed brain ion and water homeostasis is central to the disease. Excitability of neuronal networks is particularly sensitive to ion and water homeostasis. In line with this, reports of seizures and epilepsy in MLC patients exist. However, systematic assessment and mechanistic understanding of seizures in MLC are lacking.

Methods

We analyzed an MLC patient inventory to study occurrence of seizures in MLC. We used two distinct genetic mouse models of MLC to further study epileptiform activity and seizure threshold through wireless extracellular field potential recordings. Whole‐cell patch‐clamp recordings and K+‐sensitive electrode recordings in mouse brain slices were used to explore the underlying mechanisms of epilepsy in MLC.

Results

An early onset of seizures is common in MLC. Similarly, in MLC mice, we uncovered spontaneous epileptiform brain activity and a lowered threshold for induced seizures. At the cellular level, we found that although passive and active properties of individual pyramidal neurons are unchanged, extracellular K+ dynamics and neuronal network activity are abnormal in MLC mice.

Interpretation

Disturbed astrocyte regulation of ion and water homeostasis in MLC causes hyperexcitability of neuronal networks and seizures. These findings suggest a role for defective astrocyte volume regulation in epilepsy. Ann Neurol 2018;83:636–649
Features of Protonation of the Simplest Weakly Basic Molecules, SO2, CO, N2O, CO2, and Others by Solid Carborane Superacids
Authors: Stoyanov Evgenii S. , Stoyanova Irina V.
Published: February 2018

An experimental study on protonation of simple weakly basic molecules (L) by the strongest solid superacid, H(CHB11F11), showed that basicity of SO2 is high enough (during attachment to the acidic H atoms at partial pressure of 1 atm) to break the bridged H‐bonds of the polymeric acid and to form a mixture of solid mono‐ LH+⋅⋅⋅An−, and disolvates, L−H+−L. With a decrease in the basicity of L=CO (via C), N2O, and CO (via O), only proton monosolvates are formed, which approach L−H+−An− species with convergence of the strengths of bridged H‐bonds. The molecules with the weakest basicity, such as CO2 and weaker, when attached to the proton, cannot break the bridged H‐bond of the polymeric superacid, and the interaction stops at stage of physical adsorption. It is shown here that under the conditions of acid monomerization, it is possible to protonate such weak bases as CO2, N2, and Xe.
Photokatalyse mit sichtbarem Licht: Welche Bedeutung hat sie für die organische Synthese?
Authors: Marzo Leyre , Pagire Santosh K. , Reiser Oliver , König Burkhard
Published: February 2018

Die Photokatalyse mit sichtbarem Licht hat sich im letzten Jahrzehnt zu einer breit angewandten Methode in der organischen Synthese entwickelt. Für viele wichtige Reaktionen, wie Kreuzkupplungen, α‐Amino‐Funktionalisierungen, Cycloadditionen, ATRA‐Reaktionen oder Fluorierungen, wurden photokatalytische Varianten berichtet. Um Chemiker bei der Auswahl photokatalytischer Methoden für ihre Synthesen zu unterstützen, vergleichen wir in diesem Aufsatz klassische und photokatalytische Verfahren für ausgewählte Reaktionsklassen und zeigen deren Vorteile und Grenzen auf. In vielen Fällen verlaufen die photokatalytischen Reaktionen unter milderen Reaktionsbedingungen, typischerweise bei Raumtemperatur, und stöchiometrische Reagenzien werden durch einfache Oxidanzien oder Reduktionsmittel wie Luft, Sauerstoff oder Amine ersetzt. Beeinflusst die Photokatalyse mit sichtbarem Licht die organische Synthese? Die Aussicht, Elektronen zu Substraten und Zwischenprodukten hin‐ und herzuschieben oder Energie selektiv durch einen sichtbares Licht absorbierenden Photokatalysatoren zu übertragen, verspricht die aktuellen Verfahren in der Radikalchemie zu verbessern und neue Wege durch den Zugang zu reaktiven, bisher unbekannten Spezies zu erschließen, insbesondere durch das Zusammenspiel von Photokatalyse mit der Organo‐ oder Metallkatalyse.
Atomar dispergierte Metallzentren in Metall‐organischen Gerüststrukturen für die elektrokatalytische und photokatalytische Energieumwandlung
Authors: Liang Zibin , Qu Chong , Xia Dingguo , Zou Ruqiang , Xu Qiang
Published: February 2018

Metallzentren spielen eine essenzielle Rolle in elektro‐ und photokatalytischen Energieumwandlungen. Metall‐organische Gerüstverbindungen (MOFs) bestehen aus einer hochgeordneten Anordnung von organischen Linkern und Metallknoten mit wohldefinierter Porenstruktur, was sie zu idealen Substraten für die Immobilisierung von lokalisierten, atomar dispergierten Metallzentren (atomically dispersed metal sites, ADMS) an Metallknoten, Linkern und Poren macht. Außerdem lassen sich aus diesen MOFs mit eingebauten ADMS durch kontrollierte Behandlungen poröse, ADMS‐dotierte Kohlenstoffmaterialien ableiten. Die in MOFs und in MOF‐abgeleitete Kohlenstoffmaterialien eingebauten ADMS weisen spezifische Vorzüge gegenüber molekularen oder Festkörperkatalysatoren auf und schlagen eine Brücke zwischen homogener und heterogener Katalyse für Energieumwandlungen. In diesem Aufsatz beleuchten wir jüngste Erfolge bei der Entwicklung und Einführung von ADMS in MOFs und MOF‐abgeleitete Materialien für Energieumwandlungen.
Structural Studies of Self‐Assembled Subviral Particles: Combining Cell‐Free Expression with 110 kHz MAS NMR Spectroscopy
Authors: David Guillaume , Fogeron Marie‐Laure , Schledorn Maarten , Montserret Roland , Haselmann Uta , Penzel Susanne , Badillo Aurélie , Lecoq Lauriane , André Patrice , Nassal Michael , Bartenschlager Ralf , Meier Beat H. , Böckmann Anja
Published: February 2018

Viral membrane proteins are prime targets in combatting infection. Still, the determination of their structure remains a challenge, both with respect to sample preparation and the need for structural methods allowing for analysis in a native‐like lipid environment. Cell‐free protein synthesis and solid‐state NMR spectroscopy are promising approaches in this context, the former with respect to its great potential in the native expression of complex proteins, and the latter for the analysis of membrane proteins in lipids. Herein, we show that milligram amounts of the small envelope protein of the duck hepatitis B virus (DHBV) can be produced by cell‐free expression, and that the protein self‐assembles into subviral particles. Proton‐detected 2D NMR spectra recorded at a magic‐angle‐spinning frequency of 110 kHz on <500 μg protein show a number of isolated peaks with line widths comparable to those of model membrane proteins, paving the way for structural studies of this protein that is homologous to a potential drug target in HBV infection.
Revealing the Transient Concentration of CO2 in a Mixed‐Matrix Membrane by IR Microimaging and Molecular Modeling
Authors: Hwang Seungtaik , Semino Rocio , Seoane Beatriz , Zahan Marufa , Chmelik Christian , Valiullin Rustem , Bertmer Marko , Haase Jürgen , Kapteijn Freek , Gascon Jorge , Maurin Guillaume , Kärger Jörg
Published: February 2018

Through IR microimaging the spatially and temporally resolved development of the CO2 concentration in a ZIF‐8@6FDA‐DAM mixed matrix membrane (MMM) was visualized during transient adsorption. By recording the evolution of the CO2 concentration, it is observed that the CO2 molecules propagate from the ZIF‐8 filler, which acts as a transport “highway”, towards the surrounding polymer. A high‐CO2‐concentration layer is formed at the MOF/polymer interface, which becomes more pronounced at higher CO2 gas pressures. A microscopic explanation of the origins of this phenomenon is suggested by means of molecular modeling. By applying a computational methodology combining quantum and force‐field based calculations, the formation of microvoids at the MOF/polymer interface is predicted. Grand canonical Monte Carlo simulations further demonstrate that CO2 tends to preferentially reside in these microvoids, which is expected to facilitate CO2 accumulation at the interface.
Counting the Clicks in Fluorescent Polymer Networks
Authors: Estupiñán Diego , Barner‐Kowollik Christopher , Barner Leonie
Published: February 2018

We introduce a fluorescence‐based methodology enabling the quantification of ligation points in photochemically prepared polymer networks. Well‐defined α,ω‐tetrazole‐capped polymer strands prepared via RAFT polymerization are crosslinked under UV irradiation by a trimaleimide via nitrile imine mediated tetrazole–ene cycloaddition. Thus, for each linkage point a fluorescent pyrazoline ring is formed, resulting in fluorescent networks, which are degradable by aminolysis of the trithiocarbonate functionalities, leading to soluble fragments. The fluorescence emission of the soluble network fragments correlates directly with the number of pyrazoline moieties originally present in the network, thus providing a direct measure of the number of ligation points constituting the network. The herein introduced strategy based on a fluorescence readout is a powerful yet simple approach to quantify network formation processes applicable to a wide class of polymers accessible via RAFT.
Unprecedented Dearomatized Spirocyclopropane in a Sequential Rhodium(III)‐Catalyzed C−H Activation and Rearrangement Reaction
Authors: Wang Xiaoming , Li Yingzi , Knecht Tobias , Daniliuc Constantin G. , Houk K. N. , Glorius Frank
Published: February 2018

An unprecedented dearomatized spirocyclopropane intermediate was discovered in a sequential Cp*RhIII‐catalyzed C−H activation and Wagner–Meerwein‐type rearrangement reaction. How the oxidative O−N bond is cleaved and the role of HOAc were uncovered in this study. Furthermore, a Cp*RhIII‐catalyzed dearomatization reaction of N‐(naphthalen‐1‐yloxy)acetamide with strained olefins was developed, affording a variety of spirocyclopropanes.
Can Variations of 1H NMR Chemical Shifts in Benzene Substituted with an Electron‐Accepting (NO2)/Donating (NH2) Group be Explained in Terms of Resonance Effects of Substituents?
Authors: Baranac‐Stojanović Marija
Published: February 2018

The classical textbook explanation of variations of 1H NMR chemical shifts in benzenes bearing an electron‐donating (NH2) or an electron‐withdrawing (NO2) group in terms of substituent resonance effects was examined by analyzing molecular orbital contributions to the total shielding. It was found that the π‐electronic system showed a more pronounced shielding effect on all ring hydrogen atoms, relative to benzene, irrespective of substituent +R/−R effects. For the latter, this was in contrast to the traditional explanations of downfield shift of nitrobenzene proton resonances, which were found to be determined by the σ‐electronic system and oxygen in‐plane lone pairs. In aniline, the +R effect of NH2 group can be used to fully explain the upfield position of meta‐H signals and partly the upfield position of para‐H signals, the latter also being influenced by the σ‐system. The position of the lowest frequency signal of ortho‐Hs was fully determined by σ‐electrons.
The potential contribution of transition theory to the analysis of bioclusters and their role in the transition to a bioeconomy
Authors: Hermans Frans
Published: February 2018

Biocluster initiatives have become an important tool for governments to establish, promote, and strengthen economic collaboration, learning, innovation, and employment within particular regions. However, in addition to issues like competitiveness and employment, bioclusters operate with the additional goal of fostering the transition to a sustainable bioeconomy. The profound changes that are required for a successful shift from a fossil‐based economy to a bioeconomy are called transitions and the relatively new scientific field of transition theory has emerged to study them. The aim of this paper is to show the contribution that transition theory can make to the study of bioclusters. In this paper I will review frameworks from the study of sustainability transitions (multi‐level perspective and technical innovation systems) and frameworks from theories of evolutionary economic geography and cluster studies (regional and sectoral innovation systems). The review shows how the choice of a particular framework will shape the analysis of the biocluster through the particular focus and delineation associated with each framework. The review shows the advantages and disadvantages these frameworks have for incorporating the various issues related to the shift towards a bioeconomy that are currently neglected in the literature on bioclusters. © 2018 The Authors. Biofuels, Bioproducts, and Biorefining published by Society of Chemical Industry and John Wiley & Sons, Ltd.
Further evaluation of the use of preference categories to identify novel reinforcers: A systematic replication
Authors: Livingston Christina E. , Graff Richard B.
Published: February 2018

Preference assessments are frequently used to identify reinforcers for individuals with autism spectrum disorder and intellectual and developmental disabilities. Although well‐established procedures have been shown to identify preferred stimuli for individual items that can be used in skill acquisition and behavior reduction programs, little research has been conducted on identifying categories of preferred items. In this study, paired‐stimulus preference assessments were conducted with 4 individuals with autism spectrum disorder. Researchers classified the edible stimuli as belonging to 1 of 4 categories: chocolate (e.g., chocolate chips and M&M's®), salty/crunchy (e.g., chips and crackers), gummy (e.g., Swedish Fish® and Starburst®), or fruit/vegetable (e.g., grape and apple). Preference hierarchies were identified for individual stimuli and for categories of stimuli. For all participants, at least 3 of the 4 most preferred items came from the same category. Novel items (i.e., items not included in the preference assessments) identified by the researchers as belonging to the high‐preference category functioned as effective reinforcers during subsequent reinforcer assessments for all participants. This finding suggests that clinicians could identify likely effective edible reinforcers based on an individual's categorical preference without explicit testing.
A coupled in vitro/in vivo approach for engineering a heterologous type III PKS to enhance polyketide biosynthesis in Saccharomyces cerevisiae
Authors: Vickery Christopher R. , Cardenas Javier , Bowman Marianne E. , Burkart Michael D. , Da Silva Nancy A. , Noel Joseph P.
Published: February 2018

Polyketides are attractive compounds for uses ranging from biorenewable chemical precursors to high‐value therapeutics. In many cases, synthesis in a heterologous host is required to produce these compounds in industrially relevant quantities. The type III polyketide synthase 2‐pyrone synthase (2‐PS) from Gerbera hybrida was used for the production of triacetic acid lactone (TAL) in Saccharomyces cerevisiae. Initial in vitro characterization of 2‐PS led to the identification of active site variants with improved kinetic properties relative to wildtype. Further in vivo evaluation in S. cerevisiae suggested certain 2‐PS mutations altered enzyme stability during fermentation. In vivo experiments also revealed beneficial cysteine to serine mutations that were not initially explored due to their distance from the active site of 2‐PS, leading to the design of additional 2‐PS enzymes. While these variants showed varying catalytic efficiencies in vitro, they exhibited up to 2.5‐fold increases in TAL production when expressed in S. cerevisiae. Coupling of the 2‐PS variant [C35S,C372S] to an engineered S. cerevisiae strain led to over 10 g/L TAL at 38% of theoretical yield following fed‐batch fermentation, the highest reported to date. Our studies demonstrate the success of a coupled in vitro/in vivo approach to engineering enzymes and provide insight on cysteine‐rich enzymes and design principles toward their use in non‐native microbial hosts.
A perfusion chamber for monitoring transepithelial NaCl transport in an in vitro model of the renal tubule
Authors: Yeste Jose , Martínez‐Gimeno Laura , Illa Xavi , Laborda Pablo , Guimerà Anton , Sánchez‐Marín Juan P. , Villa Rosa , Giménez Ignacio
Published: February 2018

Transepithelial electrical measurements in the renal tubule have provided a better understanding of how kidney regulates electrolyte and water homeostasis through the reabsorption of molecules and ions (e.g., H2O and NaCl). While experiments and measurement techniques using native tissue are difficult to prepare and to reproduce, cell cultures conducted largely with the Ussing chamber lack the effect of fluid shear stress which is a key physiological stimulus in the renal tubule. To overcome these limitations, we present a modular perfusion chamber for long‐term culture of renal epithelial cells under flow that allows the continuous and simultaneous monitoring of both transepithelial electrical parameters and transepithelial NaCl transport. The latter is obtained from electrical conductivity measurements since Na+ and Cl− are the ions that contribute most to the electrical conductivity of a standard physiological solution. The system was validated with epithelial monolayers of raTAL and NRK‐52E cells that were characterized electrophysiologically for 5 days under different flow conditions (i.e., apical perfusion, basal, or both). In addition, apical to basal chemical gradients of NaCl (140/70 and 70/140 mM) were imposed in order to demonstrate the feasibility of this methodology for quantifying and monitoring in real time the transepithelial reabsorption of NaCl, which is a primary function of the renal tubule.
Using textbook outcome as a measure of quality of care in oesophagogastric cancer surgery
Authors: van der Kaaij R T , de Rooij M V , van Coevorden F , Voncken F E M , Snaebjornsson P , Boot H , van Sandick J W
Published: February 2018

Background

Textbook outcome is a multidimensional measure representing an ideal course after oesophagogastric cancer surgery. It comprises ten perioperative quality-of-care parameters and has been developed recently using population-based data. Its association with long-term outcome is unknown. The objectives of this study were to validate the clinical relevance of textbook outcome at a hospital level, and to assess its relation with long-term survival after treatment for oesophagogastric cancer.

Methods

All patients with oesophageal or gastric cancer scheduled for surgery with curative intent between January 2009 and June 2015 were selected from an institutional database. A Cox model was used to study the association between textbook outcome and survival.

Results

A textbook outcome was achieved in 58 of 144 patients (40·3 per cent) with oesophageal cancer and in 48 of 105 (45·7 per cent) with gastric cancer. Factors associated with not achieving a textbook outcome were failure to achieve a lymph node yield of at least 15 (after oesophagectomy) and postoperative complications of grade II or more. After oesophagectomy, median overall survival was longer for patients with a textbook outcome than for patients without (median not reached versus 33 months; P = 0·012). After gastrectomy, median survival was 54 versus 33 months respectively (P = 0·018). In multivariable analysis, textbook outcome was associated with overall survival after oesophagectomy (hazard ratio 2·38, 95 per cent c.i. 1·29 to 4·42) and gastrectomy (hazard ratio 2·58, 1·25 to 5·32).

Conclusion

Textbook outcome is a clinically relevant measure in patients undergoing oesophagogastric cancer surgery as it can identify underperforming parameters in a hospital setting. Overall survival in patients with a textbook outcome is better than in patients without a textbook outcome.
Patient navigation for lung cancer screening among current smokers in community health centers a randomized controlled trial
Authors: Percac‐Lima Sanja , Ashburner Jeffrey M. , Rigotti Nancy A. , Park Elyse R. , Chang Yuchiao , Kuchukhidze Salome , Atlas Steven J.
Published: February 2018

Annual chest computed tomography (CT) can decrease lung cancer mortality in high‐risk individuals. Patient navigation improves cancer screening rates in underserved populations. Randomized controlled trial was conducted from February 2016 to January 2017 to evaluate the impact of a patient navigation program on lung cancer screening (LCS) among current smokers in five community health centers (CHCs) affiliated with an academic primary care network. We randomized 1200 smokers aged 55–77 years to intervention (n = 400) or usual care (n = 800). Navigators contacted patients to determine LCS eligibility, introduce shared decision making about screening, schedule appointments with primary care physicians (PCPs), and help overcome barriers to obtaining screening and follow‐up. Control patients received usual care. The main outcome was the proportion of patients who had any chest CT. Secondary outcomes were the proportion of patients contacted, proportion receiving LCS CTs, screening results and number of lung cancers diagnosed. Of the 400 intervention patients, 335 were contacted and 76 refused participation. Of the 259 participants, 124 (48%) were ineligible for screening; 119 had smoked <30 pack‐years, and five had competing comorbidities. Among the 135 eligible participants in the intervention group, 124 (92%) had any chest CT performed. In intention‐to‐treat analyses, 124 intervention patients (31%) had any chest CT versus 138 control patients (17.3%, P < 0.001). LCS CTs were performed in 94 intervention patients (23.5%) versus 69 controls (8.6%, P < 0.001). A total of 20% of screened patients required follow‐up. Lung cancer was diagnosed in eight intervention (2%) and four control (0.5%) patients. A patient navigation program implemented in CHCs significantly increased LCS among high‐risk current smokers.
Amide Neighbouring‐Group Effects in Peptides: Phenylalanine as Relay Amino Acid in Long‐Distance Electron Transfer
Authors: Nathanael Joses G. , Gamon Luke F. , Cordes Meike , Rablen Paul R. , Bally Thomas , Fromm Katharina M. , Giese Bernd , Wille Uta
Published: February 2018

In nature, proteins serve as media for long‐distance electron transfer (ET) to carry out redox reactions in distant compartments. This ET occurs either by a single‐step superexchange or through a multi‐step charge hopping process, which uses side chains of amino acids as stepping stones. In this study we demonstrate that Phe can act as a relay amino acid for long‐distance electron hole transfer through peptides. The considerably increased susceptibility of the aromatic ring to oxidation is caused by the lone pairs of neighbouring amide carbonyl groups, which stabilise the Phe radical cation. This neighbouring‐amide‐group effect helps improve understanding of the mechanism of extracellular electron transfer through conductive protein filaments (pili) of anaerobic bacteria during mineral respiration.
Optimization of Reactive Dividing‐Wall Distillation Column for Ethyl t‐Butyl Ether Synthesis
Authors: Kaur Jasdeep , Sangal Vikas K.
Published: February 2018

Ethyl t‐butyl ether (ETBE) was synthesized via reaction of ethanol and isobutene by means of a reactive dividing‐wall distillation column (RDWC). The RDWC was simulated using the RADFRAC model of Aspen Plus. Multi‐response optimization by response surface methodology (RSM) with desirability function approach was applied for maximizing product purities and minimizing energy requirements and CO2 emissions simultaneously with a constraint that the difference in pressure drop across the dividing wall should be zero. The prediction from the RSM optimization agrees well with the simulation. The optimized RDWC provided an excellent purity of 99.99 mol % of the product ETBE with about one‐third reduction in energy requirements and CO2 emissions as compared to reactive distillation.
Diazonium Grafting Control through a Redox Cross‐Reaction: Elucidation of the Mechanism Involved when using 2,2‐Diphenylpicrylhydrazyl as an Inhibitor
Authors: López Isidoro , Cesbron Marius , Levillain Eric , Breton Tony
Published: February 2018

Investigation into the mechanism involved in the control of layer growth through the reduction of diazonium salts by using 2,2‐diphenylpicrylhydrazyl (DPPH). This approach, previously assumed to be based on the radical capture of highly reactive aryl intermediates via the scavenging activity of DPPH, actually rests on redox cross reactions involving its electro‐reduced form. A numerical approach was developed to model the proposed processes, involving a redox reaction between diazonium cations and the reduced species of DPPH as a central step. Extension of this approach was validated by using substituted benzoquinones instead of DPPH, leading to good control of the radical polymerization to give sub‐monolayer surface coverage. Modulation of the surface coverage can be obtained by adjusting the concentration of the redox mediator and a near‐monolayer can be prepared in this way. The difference in formal redox potential between the diazonium salt and the electro‐reducible mediator was identified as a key parameter, and could be exploited to generalize the grafting control.
Oxygen and Nitrogen Co‐enriched Sustainable Porous Carbon Hollow Microspheres from Sodium Lignosulfonate for Supercapacitors with High Volumetric Energy Densities
Authors: Pang Jie , Zhang Wen‐Feng , Zhang Jin‐Liang , Zhang Hui‐Min , Cao Gao‐Ping , Han Min‐Fang , Yang Yu‐Sheng
Published: February 2018

Oxygen and nitrogen co‐enriched hierarchical porous carbon hollow microspheres are synthesized by using biomass‐derivative sodium lignosulfonate as a feedstock through a facile and scalable process. This four‐step synthesis process involves spray drying, thermal stabilization, carbonization, and post nitric acid modification. The as‐obtained carbon exhibits a moderate but efficient porosity (specific surface area of 991 m2 g−1, total pore volume of 0.75 cm3 g−1), small particle size of 0.2–5 μm, high electrode density of 0.45 g cm−3, and abundant surface oxygen/nitrogen species (13.12 at.%/0.97 at.%). Its electrochemical performance is evaluated by assembling into supercapacitors in 7 M KOH electrolyte. The three‐electrode cell presents a high gravimetric capacitance of 284 F g−1 at 0.1 A g−1 and good rate capability of 43.6 % at 20 A g−1. While the two‐electrode cell gives an impressive volumetric capacitance of 21.2 F cm−3 at 0.1 A g−1, marvelous volumetric energy density of 2.9 Wh L−1 at 11.3 W L−1, and remarkable cycling stability of 93.4 % capacitance retention after 10000 cycles, which is superior or comparable to that of commercial activated carbon.
A Functional Platform for the Detection of JWH‐073 as a Model for Synthetic Cannabinoids
Authors: Sengel Tulay Yilmaz , Celik Emine Guler , Aydogan Cansu , Gumus Zinar Pinar , Ilktac Raif , Celikbas Eda , Ciftci Mustafa , Aldemir Ebru , Coskunol Hakan , Timur Suna , Yagci Yusuf
Published: February 2018

During the last decade, progress has been made in the on‐site detection of abused drug use. Herein, we present an electrochemical biosensor for the detection of one of the synthetic cannabinoids (SCs), JWH‐073, using poly (methyl methacrylate) (PMMA) hyperbranched copolymer (HBC) as a base coating and antibody molecules to bind the JWH‐073 to the surface. Modification of the surface is proved with various techniques such as differential pulse voltammetry, cyclic voltammetry, and electrochemical impedance spectrometry. The limit of detection and linearity (in logarithmic scale) for JWH‐073 were found to be 31.87 ng/mL and 25–500 ng/mL, respectively. The selectivity of the proposed biosensor was also tested in the presence of interfering molecules and the response was much higher for JWH‐073 in all measurements. In the final part of the study, synthetic urine was tested with the device and the relative standard deviation value was calculated to be less than 5.0 %. The confirmation of data from the resulting bio‐platform was performed via LC‐QTOF/MS. This work is the first of its kind, a novel, rapid, cost‐effective sensing platform for the detection of the SC.
Correlation and redundancy on machine learning performance for chemical databases
Authors: Li Hongzhi , Li Wenze , Pan Xuefeng , Huang Jiaqi , Gao Ting , Hu LiHong , Li Hui , Lu Yinghua
Published: February 2018

Variable reduction is an essential step for establishing a robust, accurate, and generalized machine learning model. Variable correlation and redundancy/total correlation are the primary considerations in many variable reduction methods given that they directly impact model performances. However, their effects vary from one class of databases to another. To clarify their effects on regression models on the basis of small chemical databases, a series of calculations are performed. Regression models are built on features with various correlation coefficients and redundancies by 4 machine learning methods: random forest, support vector machine, extreme learning machine, and multiple linear regression. The results suggest that the correlation is, as expected, closely related to the prediction accuracy; ie, generally, the features with large correlation coefficients regarding to response variables achieve better regression models than those with lower ones. However, for the redundancy, no trends on the performances of regression models are disclosed. This may indicate that for these chemical molecular databases, the redundancy might not be a primary concern.
Circularly Polarized Luminescence from Inorganic Materials: Encapsulating Guest Lanthanide Oxides in Chiral Silica Hosts
Authors: Sugimoto Masumi , Liu Xin‐Ling , Tsunega Seiji , Nakajima Erika , Abe Shunsuke , Nakashima Takuya , Kawai Tsuyoshi , Jin Ren‐Hua
Published: February 2018

Invited for the cover of this issue is the group of Ren‐Hua Jin at the Kanagawa University and co‐workers at Nara Institute of Science and Technology. The image depicts lanthanide metals encapsulated within temperature‐resistant chiral silica emitting polarized light. Read the full text of the article at 10.1002/chem.201705862.
Promotion of a Reaction by Cooling: Stereoselective 1,2‐cis‐α‐Thioglycoconjugation by Thiol‐Ene Coupling at −80 °C
Authors: Eszenyi Dániel , Kelemen Viktor , Balogh Fanny , Bege Miklós , Csávás Magdolna , Herczegh Pál , Borbás Anikó
Published: February 2018

The photoinitiated thiol‐ene coupling reactions of 2‐substituted glycals were studied as a generally applicable strategy for stereoselective 1,2‐cis‐α‐thioconjugation. Although all glycals reacted with full α‐selectivity, the efficacy of the reactions varied in a broad range depending on their configuration and glycals bearing axial acetoxy substituents reacted with very low efficacy at room temperature. The study revealed that the reaction progress could be promoted by cooling and inhibited by heating. At −80 °C, the equilibrium of the rapidly reversible addition of the thiyl radical to alkenes is shifted almost completely toward products, leading to efficient addition reactions. By exploiting this unique temperature effect a series of α‐thio‐l‐fucosides, ‐d‐galactosides, and d‐GlcNAc derivatives were prepared with high efficacy and complete stereoselectivity.
Chemical engineering research synergies across scientific categories
Authors: Patience Gregory S. , Patience Christian A. , Bertrand François
Published: February 2018

Chemical engineers operate industrial plants, design reactors and equipment, manage capital projects, estimate costs, project earnings, and drive efficiency through innovation while maintaining rigorous safety standards. The undergraduate curriculum includes mathematics, physics, chemistry, mechanics, biology, and management, much of which is common with other engineering departments. However, chemical engineering research is more related to chemistry. Here, we show that chemical engineers cite journals in WoS’ chemical engineering category most, followed by physical chemistry, energy & fuels, multi‐disciplinary chemistry, environmental science, and multi‐disciplinary materials science. According to a bibliometric analysis, the major research poles include materials, biotechnology, catalysis, environment, and thermodynamics. The 5 top cited journals in 2012 were Ind. Eng. Chem. Res., J. Membrane Sci., Chem. Eng. Sci., J. Hazard. Mater., and J. Catal., which are not the journals with the highest impact factors of the category. Can. J. Chem. Eng. was ranked third among the 32 classical chemical engineering journals after AIChE J. and Chem. Eng. Sci. and with respect to the ratio of the number of citations accrued until August 2017 to the number of articles they published in 2012. Chinese researchers have authored more articles than any other nation and they co‐author research most with the USA and other Pacific Rim nations. Research collaborations between nations follow linguistic, geographical, and historical traditions.
Towards developing a meaningful grading system for cervical squamous cell carcinoma
Authors: McCluggage W Glenn
Published: February 2018

Cervical cancer is one of the commonest cancers worldwide, especially in developing countries. In early stage disease, a variety of pathological parameters are of prognostic value but currently this does not include tumour grade which, for a number of reasons, is of limited or no value in cervical squamous cell carcinomas. In a recent article in this journal, Jesinghaus and colleagues investigated a novel histopathological grading system based on tumour budding and cell nest size, which has been shown to outperform conventional grading systems for squamous cell carcinoma at several other sites such as lung, oral cavity, and oesophagus in terms of patient prognostication. They tested the prognostic value of this grading system in two independent cohorts of cervical squamous cell carcinoma. The grading system proved to be a highly effective, stage‐independent prognosticator in both cohorts with small cell nest size and high tumour budding indicative of a poor prognosis. It is hoped that the results of this study will be validated in additional independent larger cohorts and will act as an impetus for the development of a meaningful and easy‐to‐implement grading system for cervical squamous cell carcinoma. As comparable tumour budding/cell nest size‐based grading systems have been shown to be of prognostic value for squamous cell carcinomas at other sites, this shows the potential of these parameters to serve as the basis for a common grading system applicable to squamous cell carcinomas of different anatomic sites.
Lupus nephritis: low urinary DNase I levels reflect loss of renal DNase I and may be utilized as a biomarker of disease progression
Authors: Pedersen Hege L , Horvei Kjersti D , Thiyagarajan Dhivya , Norby Gudrun E , Seredkina Natalya , Moroni Gabriella , Eilertsen Gro Ø , Holdaas Hallvard , Strøm Erik H , Bakland Gunnstein , Meroni Pier‐Luigi , Rekvig Ole P
Published: February 2018

Renal DNase I is lost in advanced stages of lupus nephritis. Here, we determined if loss of renal DNase I reflects a concurrent loss of urinary DNase I, and whether absence of urinary DNase I predicts disease progression. Mouse and human DNase I protein and DNase I endonuclease activity levels were determined by western blot, gel, and radial activity assays at different stages of the murine and human forms of the disease. Cellular localization of DNase I was analyzed by immunohistochemistry, immunofluorescence, confocal microscopy, and immunoelectron microscopy. We further compared DNase I levels in human native and transplanted kidneys to determine if the disease depended on autologous renal genes, or whether the nephritic process proceeded also in transplanted kidneys. The data indicate that reduced renal DNase I expression level relates to serious progression of lupus nephritis in murine, human native, and transplanted kidneys. Notably, silencing of renal DNase I correlated with loss of DNase I endonuclease activity in the urine samples. Thus, urinary DNase I levels may therefore be used as a marker of lupus nephritis disease progression and reduce the need for renal biopsies.
Spectroscopic and Hydrodynamic Characterisation of DNA‐Linked Gold Nanoparticle Dimers in Solution using Two‐Photon Photoluminescence
Authors: Midelet Johanna , El‐Sagheer Afaf H. , Brown Tom , Kanaras Antonios G. , Débarre Anne , Werts Martinus H. V.
Published: February 2018

Two‐photon photoluminescence (TPPL) emission spectra of DNA–gold nanoparticle (AuNP) monoconjugates and the corresponding DNA‐linked AuNP dimers are obtained by photon time‐of‐flight spectroscopy. This technique is combined with two‐photon photoluminescence fluctuation correlation spectroscopy (TPPL–FCS) to simultaneously monitor the optical and hydrodynamic behaviour of these nano‐assemblies in solution, with single‐particle sensitivity and microsecond temporal resolution. In this study, the AuNPs have an average core diameter of 12 nm, which renders their dark‐field plasmonic light scattering too weak for single‐particle imaging. Moreover, as a result of the lack of plasmonic coupling in the dimers, the optical extinction, scattering and photoluminescence spectra of the DNA–AuNP complexes are not sufficiently different to distinguish between monomers and dimers. The use of TPPL–FCS successfully addresses these bottlenecks and enables the distinction between AuNP monomers and AuNP dimers in solution by measurement of their hydrodynamic rotational and translational diffusion.