bluuebunny/crossref_metadata_2025 huggingface dataset:
Thioesters as Bifunctional Reagents for 2‐Naphthylamine Sulfuracylation
Authors: Xiao Fuhong , Yuan Shanshan , Wang Dahan , Liu Saiwen , Huang Huawen , Deng Guo‐Jun
Published: May 2019

An efficient and convenient strategy for the preparation of diaryl sulfides via a Fe‐promoted direct sulfuracylation of 2‐naphthylamine using thioesters as bifunctional reagents is described. This synthetic strategy features high chemoselectivity, good substrate scope and functional group tolerance.

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ICET – A Python Library for Constructing and Sampling Alloy Cluster Expansions
Authors: Ångqvist Mattias , Muñoz William A. , Rahm J. Magnus , Fransson Erik , Durniak Céline , Rozyczko Piotr , Rod Thomas H. , Erhart Paul
Published: May 2019

Alloy cluster expansions (CEs) provide an accurate and computationally efficient mapping of the potential energy surface of multi‐component systems that enables comprehensive sampling of the many‐dimensional configuration space. Here, integrated cluster expansion toolkit (ICET), a flexible, extensible, and computationally efficient software package, is introduced for the construction and sampling of CEs. ICET is largely written in Python for easy integration in comprehensive workflows, including first‐principles calculations for the generation of reference data and machine learning libraries for training and validation. The package enables training using a variety of linear regression algorithms with and without regularization, Bayesian regression, feature selection, and cross‐validation. It also provides complementary functionality for structure enumeration and mapping as well as data management and analysis. Potential applications are illustrated by two examples, including the computation of the phase diagram of a prototypical metallic alloy and the analysis of chemical ordering in an inorganic semiconductor.
Photoactivatable Fluorogenic Labeling via Turn‐On “Click‐Like” Nitroso‐Diene Bioorthogonal Reaction
Authors: Li Bai , Zhou Xian‐Hao , Yang Peng‐Yu , Zhu Liping , Zhong Yuan , Cai Zhengjun , Jiang Biao , Cai Xiaoqing , Liu Jia , Jiang Xianxing
Published: May 2019

Fluorogenic labeling enables imaging cellular molecules of interest with minimal background. This process is accompanied with the notable increase of the quantum yield of fluorophore, thus minimizing the background signals from unactivated profluorophores. Herein, the development of a highly efficient and bioorthogonal nitroso‐based Diels–Alder fluorogenic reaction is presented and its usefulness is validated as effective and controllable in fluorescent probes and live‐cell labeling strategies for dynamic cellular imaging. It is demonstrated that nitroso‐based cycloaddition is an efficient fluorogenic labeling tool through experiments of further UV‐activatable fluorescent labeling on proteins and live cells. The ability of tuning the fluorescence of labeled proteins by UV‐irradiation enables selective activation of proteins of interest in a particular cell compartment at a given time point, while leaving the remaining labeled molecules untouched.
Improved Thermoelectric Properties of Hot‐Extruded Bi–Te–Se Bulk Materials with Cu Doping and Property Predictions via Machine Learning
Authors: Wang Zhi‐Lei , Yokoyama Yuuki , Onda Tetsuhiko , Adachi Yoshitaka , Chen Zhong‐Chun
Published: May 2019

Cu‐doped Bi2Te2.85Se0.15bulk thermoelectric materials are fabricated using a hot‐extrusion technique. The Cu atoms are found to intercalate into interstitial sites between the Te(1)–Te(1) layers, which results in a reduction in the carrier concentration, and thus increases in the related Seebeck coefficient and electrical resistivity and a decrease in the carrier thermal conductivity. A resultingZTmaxvalue of 0.86 is obtained in the Cu0.05Bi2Te2.85Se0.15sample, which is 83% higher than that of the Cu‐free sample. As data‐driven materials science is becoming increasingly important for materials design, quantitative information on the processing, microstructure, and properties of the hot‐extruded materials is also estimated using a machine learning approach, where property predictions are conducted using an artificial neural network model. Moreover, an inverse exploration of the potential best material properties and their corresponding microstructure and processing is further attempted by using a Bayesian optimization algorithm. This study is expected to provide a new route to fabrication of high‐performance Bi2Te3‐based thermoelectric materials with a focus on data‐driven materials design.
3D Stackable and Scalable Binary Ovonic Threshold Switch Devices with Excellent Thermal Stability and Low Leakage Current for High‐Density Cross‐Point Memory Applications
Authors: Yoo Jongmyung , Kim Seong Hun , Chekol Solomon Amsalu , Park Jaehyuk , Sung Changhyuck , Song Jeonghwan , Lee Donghwa , Hwang Hyunsang
Published: May 2019

The development of selector devices is essential for the implementation of dense memory arrays. Ovonic threshold switch (OTS) devices have gained interest as high‐performance selectors, but their material complexity and low thermal stability remain concerns. The effect of element compositions and its types on binary telluride‐based OTS are investigated to develop selectors that meet the simple material composition and high thermal stability requirements while ensuring low OFF‐state leakage current (IOFF). Through a careful control of Te composition in binary tellurides, binary OTS devices with low IOFF (≈5 nA) and fast switching speed (<10 ns) are obtained. In addition, high endurance (108) and thermal stability (450 °C) are achieved by adopting tellurides including small elements. The high thermal stability of the developed OTS devices results from the strong covalent bonds between Te and small elements that prevent crystallization of the tellurides, which is revealed by performing first‐principles calculations. The binary OTS are also compatible with a 3D stacking technology, which is confirmed by fabricating a 3D B‐Te‐based device that shows good OTS characteristics. In addition, the OTS device successfully suppresses the leakage current in half‐selected cells when it is integrated with a resistive random access memory (ReRAM) device.
Breakage of wet flexible fiber agglomerates impacting a plane
Authors: Yang Jiecheng , Bello Liliana , Buettner Kevin , Guo Yu , Wassgren Carl , Curtis Jennifer S.
Published: May 2019

The breakage of an agglomerate of wet flexible fibers impacting a plane is computationally investigated in this work using the discrete element method. In the agglomerate, the fibers stick together due to cohesive liquid bridge forces. Agglomerate breakage with various impact conditions, initial configurations, fiber properties, and liquid bridge properties is systematically investigated. The degree of breakage is governed by the impact energy, the cohesion energy due to liquid bridges, the energy dissipation/absorption through fiber–fiber contacts and fiber deformation, and the efficiency of force transmission within the agglomerate. More specifically, breakage is promoted by increasing impact velocity, decreasing agglomerate size, increasing initial compaction, increasing fiber bending modulus, decreasing liquid surface tension, and decreasing liquid‐to‐solid volume ratio. Breakage is strongly dependent on the modified Weber number, that is, the ratio of the Weber number to a dimensionless rupture distance, which is a measure of the impact energy relative to the cohesion energy.
Ein sehr starkes Methylierungsmittel: [Me2Cl][Al(OTeF5)4]
Authors: Hämmerling Sebastian , Thiele Günther , Steinhauer Simon , Beckers Helmut , Müller Carsten , Riedel Sebastian
Published: May 2019

Das neue Chloroniumsalz [Me2Cl][Al(OTeF5)4] lässt sich in einer einfachen Eintopfreaktion in Grammmengen darstellen, und das isolierte Produkt als ein bei Raumtemperatur handhabbares, starkes und elektrophiles Methylierungsmittel nutzen. Dies wird am Beispiel der schwach basischen Moleküle P(CF3)3, PF3, MeI und MeBr demonstriert.
Crosslink network and phenyl content on the optical, hardness, and thermal aging of PDMS LED encapsulant
Authors: Lay Makara , Ramli Mohamad Riduwan , Ramli Rafiza , Mang Ng Chee , Ahmad Zulkifli
Published: May 2019

This work aims to synthesize new series of polysiloxane copolymer through hydrosilylation reaction based on different level of crosslink densities and phenyl content. The results revealed that polysiloxanes resins with phenyl rings increased viscosity up to 3800 cps while displaying a relatively high refractive index of 1.531. The asymmetric phenyl substitution onto chain backbone led to formation of densely packed structure resulting in reduced water absorption and gas permeability of PDMS resins. High level of crosslinking contributed to a high shore A hardness and adhesion strength. It displayed transparency of 97% whose percentage reduction was 1.6% under thermal and 0.6% UV aging. No obvious discoloration was observed during accelerated thermal aging up to 210 min at 80 °C. These results are key attributes that make the synthesized polysiloxane series as ideal candidate for high brightness LED encapsulant. © 2019 Wiley Periodicals, Inc. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47895.
Status of giant clam resources around Okinawa‐jima Island, Ryukyu Archipelago, Japan
Authors: Neo Mei Lin , Lim Kah Kheng , Yang Sung‐Yin , Soong Giun Yee , Masucci Giovanni D. , Biondi Piera , Wee Hin Boo , Kise Hiroki , Reimer James D.
Published: May 2019

Giant clams provide and support valuable functions to coral reefs, as well as represent a sustainable resource for traditional fisheries throughout the Indo‐Pacific region. The Ryukyu Archipelago (southern Japan) is known to be the northern latitudinal limits of giant clam distribution, but there is only limited information in the literature regarding species diversity, status, and distribution in this region.

In this study, we report findings from a rapid survey in 2016, the first of its kind for the Ryukyu Islands, to determine species distribution and abundance of giant clams (tridacnines) around Okinawa‐jima Island.

Results indicate the presence of four species with an overall density of 5.03 per 100 m2, from most to least abundant: Tridacna crocea, Tridacna maxima, Tridacna squamosa, and Tridacna noae. The previously reported species Tridacna gigas and Hippopus hippopus were both absent from the surveys. The densities and distributions of tridacnines varied among species and sites, which are likely attributable to efforts in replenishing and protecting stocks of selected species.

The most abundant species, T. crocea, is an important fishery species in Okinawa, and has been widely cultured and restocked to augment depleted populations. In comparison, restocking efforts for less popular species, such as T. squamosa, have been limited, and their current sizes and numbers suggest recruitment constraints.

Given the importance of the giant clam fishery in this region and the current declines of various species (except T. crocea), further regulations should focus on the protection of larger and mature clams that function as broodstock necessary to maintain spawning and natural recruitment.
Saltmarsh conservation through inventory, biogeographic analysis and predictions of change: Case of Tasmania, south‐eastern Australia
Authors: Prahalad Vishnu , Kirkpatrick Jamie B.
Published: May 2019

Effective conservation of saltmarshes involves detailed and accurate mapping of their range, area of occupancy and plant community composition as part of region‐wide inventories. There is also a need to identify the major mesoscale influences on the distributions of types of saltmarsh, obligate saltmarsh plants and salt pans, and evaluate possible responses to macroclimatic changes.

Tidal saltmarshes of Tasmania and its offshore islands (coastline of 4,882 km, spanning latitudes 39°40′ to 43°40′S), off south‐eastern Australia, were mapped at a high spatial resolution of 1 : 500–1 : 3,000. The distributions of types of saltmarsh, obligate plant taxa and salt pans were related to climatic, geomorphic and land‐use variation. The future distribution of climatically controlled species and communities was determined for two climate change scenarios.

There was 58.6 km2 of tidal saltmarsh in Tasmania in 61 mesoscale complexes. The complexes were classified into three broad saltmarsh groups, which together offer a more ecologically relevant planning unit for saltmarsh conservation than macroscale bioregions. The small median patch size of 0.2 ha demonstrates the effectiveness of the manual interpretation and mapping with extensive field checking. Mapping of these smaller saltmarshes provides them recognition within the land use planning and approvals process.

Climatic, but not geomorphic and land‐use, factors have strong effects on the distribution of saltmarsh plant communities, species and salt pans in Tasmania. Mean annual rainfall was most significant in predicting saltmarsh extent, range, plant community composition, salt pans and the three saltmarsh groups. Mean annual daily minimum temperature and saltmarsh area best predicted obligate plant distributions.

Projected wetter and drier climatic change by 2100 is not expected to substantially alter macroscale plant community patterns but may reduce the range of the rare herb Wilsonia humilis R.Br. However, stochastic disturbances may continue to play an important role at local scales.
The importance of riparian subtropical lucidophyllous forest to odonate conservation
Authors: Sakai Masaru , Suda Shin‐ichi , Okeda Taichi , Nomura Ryosuke , Washitani Izumi
Published: May 2019

Glossy, broad‐leaved, evergreen (lucidophyllous) forests are found mainly in humid subtropical regions of East Asia and are recognized as a biodiverse biome harbouring numerous endemic species. To date, however, few studies have considered the conservation importance of rivers draining these unique environments. In this study, lotic Odonata were used as indicators to examine factors affecting riparian forest–stream linkages in a lucidophyllous forest in south‐western Japan.

Lotic odonates of 10 species, including seven endemic species, and their habitats were studied along 30 stream reaches with varying environmental characteristics.

Odonate species richness was greatest in shadier reaches as well as in heterogeneous locations in larger streams. In contrast, larger streams modified by channel enlargement for flood control had few or no odonate species.

Protecting larger streams with less human impact and streams in dense riparian forest are the best options for conserving lotic odonates and their habitats in this globally unique forest type.
Biochemical characterization reveals the functional divergence of two tropinone reductases from Przewalskia tangutica
Authors: Wu Nianyang , Jian Dongqin , Xiang Min , Chen Min , Lan Xiaozhong , Liao Zhihua , Liu Xiaoqiang
Published: May 2019

Przewalskia tangutica is a traditional medicinal plant from Tibet used for the analgesic effect from the tropane alkaloids (TAs) produced by the plant. Its roots have the highest yield of hyoscyamine in all plant species and so have been overharvested becoming an endangered medicinal plant species. Metabolic engineering is a good way to improve the yield of TAs in plants. In our study, two functionally distinct tropinone reductases genes, PtTRI and PtTRII, were cloned from P. tangutica and the functional divergence were characterized. The enzyme kinetics of PtTRI and PtTRII were investigated. The phylogenetic analysis classified them into different clades: PtTRI and PtTRII were in the clade of tropine‐forming reductase and pseudotropine‐forming reductase, respectively. We found PtTRI to be expressed in the roots but less in leaves, whereas PtTRII was expressed in the roots at higher levels than in the leaves. The kinetic parameters (Km, Vmax, and Kcat) were analyzed using purified recombinant enzymes at their optimum pH. Enzymatic analysis results showed that tropinone is a better substrate for PtTRII compared with PtTRI, suggesting that PtTRII might be a potential gene target for TA biosynthesis engineering. Compared with the reported TRIs, PtTRI exhibited a higher affinity for tropinone.
Development of cost models of algae production in a cold climate using different production systems
Authors: Pankratz Stan , Oyedun Adetoyese O. , Kumar Amit
Published: May 2019

Research into the potential use of microalgae to produce biofuels is receiving significant attention. In the cold climates of countries like Canada, algae cultivation in open raceway pond (ORP) systems is limited to a short period of the year when pond surface water temperatures and ambient light conditions enable optimal culture growth. In this study we develop techno‐economic assessment models to predict, evaluate, and compare the techno‐economic results from three autotrophic algae cultivation scenarios to produce algae biomass. The first is a modeled ORP site located in the southern USA, which has a minimum biomass selling price (MBSP) for algae of $541 tonne−1 (T−1). The second scenario models an identical ORP system co‐located at a site near Fort Saskatchewan, a northern city in the province of Alberta, Canada. The resulting MBSP is $1288 T−1. A third scenario models a photobioreactor (PBR) cultivation system co‐located at the same northern Alberta site and shows algae production with an MBSP of $550 T−1. Each system is scaled to produce 2000 T day−1 ash‐free dry weight (AFDE) algae biomass. The study concludes that PBR systems deployed at this scale have the potential to reduce production costs significantly ($ T−1) compared to similarly sited ORP systems in Canada, despite climatic factors and high initial capital costs associated with PBR construction. Furthermore, the modeled PBR system required 0.3% of the water required by the ORP cultivation platforms (153 × 103 versus 59 527 × 103 m3) and 0.04% of the land (32 versus. 82 038 ha). © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd
Effects of by‐products of fermentation of banana pseudostem on ethanol separation by pervaporation
Authors: Linzmeyer Poliana , Ramlow Heloisa , Souza Ozair , Sellin Noeli , Marangoni Cintia
Published: May 2019

In this work, we performed recovery of ethanol from a fermentation broth of banana pseudostem by pervaporation (PV) as a lower‐energy‐cost alternative to traditional separation processes such as distillation. As real fermentation systems generally contain by‐products, it was investigated the effects of different components from the fermentation broth of banana pseudostem on PV performance for ethanol recovery through commercial flat sheet polydimethylsiloxane (PDMS) membrane. The experiments were compared to a binary solution (ethanol/water) to determine differences in the results due to the presence of fermentation by‐products. A real fermented broth of banana pseudostem was also used as feed for the PV experiments. Seven by‐products from fermented broth were identified: propanol, isobutanol, methanol, isoamyl alcohol, 1‐pentanol, acetic acid, and succinic acid. Moreover, the residual sugar content of 3.02 g/L1 was obtained. The presence of methanol showed the best results for total permeate flux (0.1626 kg·m−2·h−1) and ethanol permeate flux (0.0391 kg·m−2·h−1) during PV at 25°C and 3 wt% ethanol, also demonstrated by the selectivity and enrichment factor. The lowest total fluxes of permeate were observed in the experiments containing the acids. Better permeance of 0.1171 from 0.0796 kg·m−2·h−1 and membrane selectivity of 9.77 from 9.30 were obtained with real fermentation broth than with synthetic solutions, possibly due to the presence of by‐products in the multicomponent mixtures, which contributed to ethanol permeation. The results of this work indicate that by‐products influence pervaporation of ethanol with hydrophobic flat sheet membrane produced from the fermented broth of banana pseudostem.
Purification and biochemical characterization of an organic solvent‐tolerant and detergent‐stable lipase from Staphylococcus capitis
Authors: Rmili Fatma , Achouri Neila , Smichi Nabil , Krayem Najeh , Bayoudh Ahmed , Gargouri Youssef , Chamkha Mohamed , Fendri Ahmed
Published: May 2019

A mesophilic bacterial culture, producing an extracellular alkaline lipase, was isolated from the gas‐washing wastewaters generated from the Sfax phosphate plant of the Tunisian Chemical Group and identified as Staphylococcus capitis strain. The lipase, named S. capitis lipase (SCL), has been purified to homogeneity from the culture medium. The purified enzyme molecular weight was around 45 kDa. Specific activities about 3,900 and 500 U/mg were measured using tributyrin and olive oil emulsion as substrates, respectively at 37°C and pH 8.5. Interestingly, the SCL maintained more than 60% of its initial activity over a wide pH values ranging from 5 to 11 with a high stability between pH 9 and 11 after 1 hr of incubation at room temperature. The lipase activity was enhanced in the presence of 2 mM of Mg2+, Ca2+, and K+. SCL showed significant stability in the presence of detergents and organic solvents. Altogether, these features make the SCL useful for industrial applications. Besides, SCL was compatible with commercially available detergents, and its incorporation increases lipid degradation performances making it a potential candidate in detergent formulation.
Combination of preoperative plasma fibrinogen and AJCC staging improves the accuracy of survival prediction for patients with stage I‐II gastric cancer after curative gastrectomy
Authors: Ding Peng , Zheng Chen , Cao Guohui , Gao Ziming , Lei Yuying , Deng Peng , Hou Bin , Li Kai
Published: May 2019

This study aimed to determine the prognostic value of preoperative plasma fibrinogen concentration (PFC) in patients with stage I‐II gastric cancer after curative gastrectomy. The preoperative PFC and clinicopathological data of 793 patients with stage I‐II gastric cancer who underwent curative gastrectomy were analyzed retrospectively. PFC of <4.0 g/L and ≥4.0 g/L were considered as PFC0 and PFC1, respectively. The association between PFC and the clinicopathological features of gastric cancer and the value of PFC in survival prediction were investigated. PFC1 indicated poorer overall survival and cancer‐specific survival among patients with tumor‐node‐metastasis (TNM) stage I‐II, and PFC was identified as an independent indicator of survival via multivariate analysis. Importantly, PFC stage was proven to be an independent prognostic factor for stage I and T1‐4aN0 gastric cancer. PFC stage combined with the American Joint Committee on Cancer (AJCC)‐TNM stage has better accuracy for predicting disease prognosis than AJCC‐TNM stage alone. The prognosis of patients with stage I‐II gastric cancer can be further stratified by PFC level. For patients with stage I gastric cancer, PFC1 can be considered a high‐risk prognostic factor, and adjuvant chemotherapy should be recommended for patients with PFC1.
Gemcitabine, dexamethasone, and cisplatin (GDP) chemotherapy with sandwiched radiotherapy in the treatment of newly diagnosed stage IE/IIE extranodal natural killer/T‐cell lymphoma, nasal type
Authors: Tian Shu , Li Ruichen , Wang Tian , Wang Shengzi , Tao Rong , Hu Xichun , Ding Hao
Published: May 2019

Extranodal natural killer/T‐cell lymphoma (ENKL), nasal‐type is a rare but highly aggressive disease with poor prognosis. Optimal treatment strategies for newly diagnosed localized ENKL have not been fully defined. Here we retrospectively analyzed 72 patients with newly diagnosed stage IE/IIE ENKL treated with gemcitabine, dexamethasone, and cisplatin (GDP) regimen chemotherapy with sandwiched radiotherapy in our department between May 2012 and September 2014. After 2 cycles of GDP induction chemotherapy, the complete response rate (CRR) and overall response rate (ORR) were 30.6% (22/72) and 91.7% (66/72). After whole treatment completion, the CRR and ORR were 81.9% (59/72) and 91.7% (66/72), respectively. With a median follow‐up of 57.8 months (Interquartile Range 54.0‐64.5 months), the 5‐year progression‐free survival rate was 70.9% (95% CI, 60.1% to 81.7%), and the 5‐year overall survival rate was 72.0% (95% CI, 61.6% to 82.4%), respectively. Patients with CRR after treatment had better prognosis than their counterparts. The major adverse events were myelosuppression, liver dysfunction, gemcitabine‐related skin rash, and digestive tract toxicities. Grade 3 to 4 neutropenia and thrombocytopenia were 18.0% (13/72) and 15.3% (11/72), respectively. No treatment related deaths were observed. It is concluded that the GDP regimen with sandwiched radiotherapy was an effective and well‐tolerated treatment for newly diagnosed stage IE/IIE ENKL, nasal‐type.
Recent Advances in Rochow‐Müller Process Research: Driving to Molecular Catalysis and to A More Sustainable Silicone Industry
Authors: Zhang Yu , Li Jing , Liu Hezhi , Ji Yongjun , Zhong Ziyi , Su Fabing
Published: May 2019

The Rochow‐Müller process, an old process that has been known for more than seventy years, is for the direct synthesis of methylchlorosilane. However, due to its unique economic efficiency, it is still extremely important in silicone industry, e. g., about 90 % of starting materials for producing silicones are obtained by this route. Although significant progress has been made in exploring high‐efficient catalysts and understanding its mechanism, a quantitative description of this reaction is still far‐fetched due to its high complexity. In addition, sustainable use and recycling of by‐products and waste solid have become imperative nowadays due to the increasing demands for atom economy and environmental protection. This paper provides a comprehensive overview and insights into Rochow‐Müller process from its catalysis to sustainable issues, including the catalyst development and reaction mechanism investigation, waste reutilization and their derived products. In addition, several emerging novel processes originated from Rochow‐Müller process are summarized. Lastly, challenges and perspectives with respect to this reaction are discussed. We hope this work has accurately reflected and recorded the transition of Rochow‐Müller process to modern molecular catalysis, and can promote a much more sustainable silicone industry.
Recent Progress in Bifunctional Electrocatalysts for Overall Water Splitting under Acidic Conditions
Authors: Jin Haneul , Joo Jinwhan , Chaudhari Nitin K. , Choi Sang‐Il , Lee Kwangyeol
Published: May 2019

Water electrolysis is an important energy conversion technology used to produce hydrogen on a mass scale. Until now, special emphasis has been placed on technology development for water electrolysis in acidic electrolytes, owing to the more facilitated hydrogen production under acidic conditions compared to alkaline water electrolysis. Among various catalyst design concepts, bifunctional catalysts capable of driving low overpotentials for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) are particularly interesting, owing to the simplicity of cell system design and potential capital reduction for catalyst production. Therefore, it is intriguing to prepare bifunctional catalysts that are compatible with acidic electrolytes. In this Minireview, we introduce the recent progress in bifunctional catalysts for overall water electrolysis under acidic conditions. We briefly describe the merits of water electrolysis in acidic solution and summarize the preparation and performance of the state‐of‐the‐art bifunctional catalysts towards both the acidic HER and OER. Finally, perspectives are provided for the current challenges and opportunities for bifunctional catalysts in acidic water electrolysis.
CuS and Cu2S as Cathode Materials for Lithium Batteries: A Review
Authors: Jiang Kyle , Chen Zonghai , Meng Xiangbo
Published: May 2019

Invited for this month's cover picture is the group of Dr. Xiangbo (Henry) Meng (University of Arkansas, Fayetteville, AR, USA). The cover picture shows a Li‐CuxS battery consisting of the Li anode and CuxS cathode, in which CuxS experiences a reversible conversion reaction during discharge and charge processes. Read the full text of the Review at 10.1002/celc.201900066.
Response to “Impact of Zeolite Structure on Entropic–Enthalpic Contributions to Alkane Monomolecular Cracking: An IR Operando Study”
Authors: Janda Amber , Lin Li‐Chiang , Vlaisavljevich Bess , Van der Mynsbrugge Jeroen , Bell Alexis T.
Published: May 2019

This is a response to the paper published by S. A. Kadam, H. Li, R. F. Wormsbacher, A. Travert, Chem. Eur. J. 2018, 24, 5489. Key consistencies between our reported results and those reported in this work are also highlighted.
Antibody–Prodrug Conjugates with KSP Inhibitors and Legumain‐Mediated Metabolite Formation
Authors: Lerchen Hans‐Georg , Stelte‐Ludwig Beatrix , Berndt Sandra , Sommer Anette , Dietz Lisa , Rebstock Anne‐Sophie , Johannes Sarah , Marx Leo , Jörißen Hannah , Mahlert Christoph , Greven Simone
Published: May 2019

Invited for the cover of this issue is the group of Hans‐Georg Lerchen and colleagues from Bayer AG R&D Pharmaceuticals. The image, provided by J. Franz and graphic designers from The New Atlantic (Cologne), depicts a cartoon representation of the legumain‐mediated cleavage of the peptide cap within the lysosome. Read the full text of the article at 10.1002/chem.201900441.
Ersatzkältemittel ohne Kompromisse
Authors: Förster Janko
Published: May 2019

Ab dem Jahr 2020 gilt die nächste Stufe der EU Kältemittelregelung/F‐Gase‐Verordnung (EU) Nr. 517/2014 für fluorierte Treibhausgase. Das verschärft die Auflagen für Hersteller von Anlagen mit FKW‐Kältemitteln deutlich und bedeutet neue Anforderungen für Betreiber von Bestandsanlagen hinsichtlich ihrer Prüf‐ und Dokumentationspflichten. Darüber hinaus ist abzusehen, dass sich bisher oft eingesetzte Kältemittel knapper und teurer werden.
Immunocytochemistry for predictive biomarker testing in lung cancer cytology
Authors: Jain Deepali , Nambirajan Aruna , Borczuk Alain , Chen Gang , Minami Yuko , Moreira Andre L. , Motoi Noriko , Papotti Mauro , Rekhtman Natasha , Russell Prudence A. , Savic Prince Spasenija , Yatabe Yasushi , Bubendorf Lukas ,   the IASLC Pathology Committee
Published: May 2019

With an escalating number of predictive biomarkers emerging in non–small cell lung carcinoma (NSCLC), immunohistochemistry (IHC) is being used as a rapid and cost‐effective tool for the screening and detection of many of these markers. In particular, robust IHC assays performed on formalin‐fixed, paraffin‐embedded (FFPE) tumor tissue are widely used as surrogate markers for ALK and ROS1 rearrangements and for detecting programmed death ligand 1 (PD‐L1) expression in patients with advanced NSCLC; in addition, they have become essential for treatment decisions. Cytology samples represent the only source of tumor in a significant proportion of patients with inoperable NSCLC, and there is increasing demand for predictive biomarker testing on them. However, the wide variation in the types of cytology samples and their preparatory methods, the use of alcohol‐based fixatives that interfere with immunochemistry results, the difficulty in procurement of cytology‐specific controls, and the uncertainty regarding test validity have resulted in underutilization of cytology material for predictive immunocytochemistry (ICC), and most cytopathologists limit such testing to FFPE cell blocks (CBs). The purpose of this review is to: 1) analyze various preanalytical, analytical, and postanalytical factors influencing ICC results; 2) discuss measures for validation of ICC protocols; and 3) summarize published data on predictive ICC for ALK, ROS1, EGFR gene alterations and PD‐L1 expression on lung cancer cytology. Based on our experience and from a review of the literature, we conclude that cytology specimens are in principal suitable for predictive ICC, but proper optimization and rigorous quality control for high‐quality staining are essential, particularly for non‐CB preparations.
Practical Considerations in Particle and Object Tracking and Analysis
Authors: Aaron Jesse , Wait Eric , DeSantis Michael , Chew Teng‐Leong
Published: May 2019

The rapid advancement of live‐cell imaging technologies has enabled biologists to generate high‐dimensional data to follow biological movement at the microscopic level. Yet, the “perceived” ease of use of modern microscopes has led to challenges whereby sub‐optimal data are commonly generated that cannot support quantitative tracking and analysis as a result of various ill‐advised decisions made during image acquisition. Even optimally acquired images often require further optimization through digital processing before they can be analyzed. In writing this article, we presume our target audience to be biologists with a foundational understanding of digital image acquisition and processing, who are seeking to understand the essential steps for particle/object tracking experiments. It is with this targeted readership in mind that we review the basic principles of image‐processing techniques as well as analysis strategies commonly used for tracking experiments. We conclude this technical survey with a discussion of how movement behavior can be mathematically modeled and described. © 2019 by John Wiley & Sons, Inc.
Parallel simulation of the synchronization of heterogeneous cells in the sinoatrial node
Authors: Nicolás Mata Aurelio , Román Alonso Graciela , López Garza Gabriel , Godinez Fernández José Rafael , Castro García Miguel Alfonso , Castellanos Ábrego Norma Pilar
Published: May 2019

The cells of the sinoatrial node (SAN) are self‐excitable entities that show a coupled electrical pattern that consists of the synchronized activation of action potentials that determine the heart rate. To accurately describe the behavior of cell membrane proteins, theoretical biophysicists have devoted themselves to the study of the electrical activity of individual cells, which involves solving a large number of coupled differential equations. This computational limitation makes the modeling of a large number of cells unattainable, since the intracellular distribution of Ca2+ must be considered and this fact increases in grand extent the number of differential equations involved. In this work, we explore different parallel architectures (using OpenMP, MPI, and CUDA libraries) to show advances in the computational modeling and simulation of the SAN using a multicellular array in which the cells are endowed of heterogeneous conductances and are electrically coupled, considering a variable connectivity among them.
Haloperidol‐Induced Preclinical Tardive Dyskinesia Model in Rats
Authors: Guzen Fausto Pierdoná , Cavalcanti José Rodolfo Lopes de Paiva , Cavalcanti Diogo Manuel Lopes de Paiva , de Sales Luma Gabrielle Praxedes , da Silva Monalisa Stefany Martins , da Silva Aline Naiara Azevedo , Pinheiro Francisco Irochima , de Araújo Dayane Pessoa
Published: May 2019

Haloperidol is a first‐generation antipsychotic used in the treatment of psychoses, especially schizophrenia. This drug acts by blocking dopamine D2 receptors, reducing psychotic symptoms. Notwithstanding its benefits, haloperidol also produces undesirable impacts, in particular extrapyramidal effects such as tardive dyskinesia (TD), which limit the use of this and related drugs. TD is characterized by repetitive involuntary movements occurring after chronic exposure therapy with haloperidol. Symptoms most commonly manifest in the orofacial area and include involuntary movements, tongue protrusion, pouting lips, chewing in the absence of any object to chew, and facial grimacing. The most serious aspect of TD is that it may persist for months or years after drug withdrawal and is irreversible in some patients. This unit, aimed at facilitating the study of TD, describes methods to induce TD in rats using haloperidol, as well as procedures for evaluating the animals's TD‐related symptoms. © 2019 by John Wiley & Sons, Inc.
Responses of a native plant species from invaded and uninvaded areas to allelopathic effects of an invader
Authors: Lyytinen Anne , Lindström Leena
Published: May 2019

Invaders exert new selection pressures on the resident species, for example, through competition for resources or by using novel weapons. It has been shown that novel weapons aid invasion but it is unclear whether native species co‐occurring with invaders have adapted to tolerate these novel weapons. Those resident species which are able to adapt to new selective agents can co‐occur with an invader while others face a risk of local extinction. We ran a factorial common garden experiment to study whether a native plant species, Anthriscus sylvestris, has been able to evolve a greater tolerance to the allelochemicals exerted by the invader, Lupinus polyphyllus. Lupinus polyphyllus produces allelochemicals which potentially act as a novel, strong selective agent on A. sylvestris. We grew A. sylvestris seedlings collected from uninvaded (naïve) and invaded (experienced) sites growing alone and in competition with L. polyphyllus in pots filled with soil with and without activated carbon. Because activated carbon absorbs allelochemicals, its addition should improve especially naïve A. sylvestris performance in the presence of the invader. To distinguish the allelochemicals absorption and fertilizing effects of activated carbon, we grew plants also in a mixture of soil and fertilizer. A common garden experiment indicated that the performances of naïve and experienced A. sylvestris seedlings did not differ when grown with L. polyphyllus. The addition of activated carbon, which reduces interference by allelochemicals, did not induce differences in their performances although it had a positive effect on the aboveground biomass of A. sylvestris. Together, these results suggest that naïve and experienced A. sylvestris plants tolerated equally the invader L. polyphyllus and thus the tolerance has not occurred over the course of invasion.
Phytoplankton functional composition shows higher seasonal variability in a large shallow lake after a eutrophic past
Authors: Pálffy Károly , Vörös Lajos
Published: May 2019

Eutrophication is a well‐known problem of global proportions with some easily recognizable and potentially harmful effects on aquatic habitats, but our knowledge on the underlying associated changes in ecosystem functioning is rather limited. Relevant studies suggest that seasonal variability in the functional composition of phytoplankton shows an increase as eutrophication progresses. The aim of the present study was to test this hypothesis through the assessment of long‐term changes in the functional diversity and composition of phytoplankton in a large shallow lake situated in Central Europe with a history of dramatic changes in trophic state. Contrary to our expectations, results have shown that the maximum range of compositional variability had a significant negative correlation with the summer biomass maxima. On the other hand, average seasonal variability measured as annual beta diversity exhibited an increasing trend throughout the years from the period of early eutrophication to the recent period of reoligotrophication, seemingly following a decline in functional richness and a long‐term rise in annual mean water temperature. The enhanced variability in phytoplankton succession implies that all the ecosystem processes connected to the phytoplankton follow more complex seasonal dynamics. Besides changing community structure, trophic state also seems to be an important factor in setting the limits to compositional changes during the annual cycle, whereas long‐term warming is likely to enhance instability in the phytoplankton. The trajectories of these two factors and the changes in seasonal succession indicate a lake in transition, urging more in‐depth research efforts to understand the impact of climate change on this specific ecosystem, and raise the question of whether the observed changes can also occur in other similar aquatic systems.
Savanna canopy trees under fire: long‐term persistence and transient dynamics from a stage‐based matrix population model
Authors: Werner Patricia A. , Peacock Stephanie J.
Published: May 2019

Fire is a major disturbance driving the dynamics of the world's savannas. Almost all fires are set by humans who are increasingly altering fire timing and frequency on every continent. The world's largest protected areas of savannas are found in monsoonal northern Australia. These include relatively intact, tall, open forests where traditional indigenous fire regimes have been largely replaced in the past half century by contemporary patterns with trees experiencing fire as often as three out of five years. Eucalypt canopy trees form the basic structure of these savannas and changes to the canopy due to fire regimes cascade to affect other plants and animals. In this study, we used data from nearly three decades of field studies on the effects of fire on individual trees to define eight life‐history stages and to calculate transition rates among stages. We developed a stage‐based matrix population model that explicitly considers how fire season and understory influence growth, survival, and recruitment for each life‐history stage. Long‐term population growth rates and transient population dynamics were calculated under five different fire regimes, each in two understory types, using both deterministic and stochastic simulations of seasonal timing of fires. We found that fire was necessary for long‐term persistence of eucalypt canopy tree populations but, under annual fires, most populations did not survive. Population persistence was highly dependent on fire regime (fire season and frequency) and understory type. A stochastic model tended to yield higher population growth rates than the deterministic model with regular, periodic fires, even under the same long‐term frequency of fires. Transient population dynamics over 100 yr also depended on fire regime and understory, with implications for savanna physiognomy and management. Model predictions were tested in an independent data set from a 21‐yr longitudinal field study in Kakadu National Park. This study is a novel and integrative contribution to our understanding of fire in savanna biomes regarding the potential for long‐term persistence and transient dynamics of savanna canopy tree populations. The model is relatively simple, generalizable, and adaptable for further investigations of the population dynamics of savanna trees under fire.
Interspecific prey neighborhoods shape risk of predation in a savanna ecosystem
Authors: Ng'weno Caroline C. , Ford Adam T. , Kibungei Alfred K. , Goheen Jacob R.
Published: May 2019

The vulnerability of an individual to predation depends on the availability of other prey items in the surrounding environment. Interspecific prey aggregations or “neighborhoods” may therefore affect an individual's vulnerability to predation. We examined the influence of prey neighborhood structure (i.e., the densities and identities of prey neighborhoods) on spatial variation in predation in a multi‐prey system with a primary apex predator. We combinedGPSlocations of lions (Panthera leo), kill‐site surveys, and spatially explicit density estimates of five species of ungulates for which a significant level of predation was attributable to lions. In addition to the dual influence of predator activity and vegetation, predation risk was attributable to the structure of prey neighborhoods for at least two of the five species of prey. Along with traditionally recognized components of predation (the rate of predator–prey encounters and prey catchability), we encourage ecologists to consider how prey neighborhood structure influences spatial variation in predation risk.
On the Interpretation of Impedance Spectra of Large‐Format Lithium‐Ion Batteries and Its Application in Aging Studies
Authors: Heins Tom Patrick , Schlüter Nicolas , Ernst Sabine Teresa , Schröder Uwe
Published: May 2019

This study presents a new approach for the interpretation of impedance spectra of large‐format lithium‐ion batteries. By application of the method of the distribution of relaxation times (DRT), all time constants contributing to the overall kinetics of a battery can be identified. By a comprehensive impedance spectroscopic investigation of the lithium‐ion cell as a function of temperature and cell potential, it can be described in a recognizable manner, which can be traced back in measurements with three electrode cells. Thereby, an unambiguous assignment of time constants to the underlying type of an electrochemical process and to the electrode of origin can be achieved. The application of these findings in aging studies can significantly increase their gain of knowledge.
Impedance Spectroscopic Investigation of the Impact of Erroneous Cell Assembly on the Aging of Lithium‐Ion Batteries
Authors: Heins Tom Patrick , Leithoff Ruben , Schlüter Nicolas , Schröder Uwe , Dröder Klaus
Published: May 2019

The impact of erroneously aligned electrodes on the aging of stacked large‐format lithium‐ion batteries is monitored by electrochemical impedance spectroscopy (EIS). Based on the application of the distribution of relaxation times (DRT) method, the deterioration of the kinetics of anode and cathode due to prolonged cycling can be determined individually. Cells with different degrees of erroneous electrode positioning are produced and compared. Thereby, the origin of the accelerated aging of cells with misaligned electrodes is revealed.
A Direct Solar Photo‐Thermal Conversion of Methanol into Hydrogen
Authors: Yu Xiaoxiao , Zeng Jia , Xuan Yimin
Published: May 2019

Solar thermochemical hydrogen production has a great significance in the clean energy economy. Herein, for the first time, the direct reforming reaction of methanol into hydrogen using sunlight as the solar energy input in a homemade experiment setup is reported. Solar energy provides the thermal energy necessary for liquid evaporation and methanol reforming reaction simultaneously with the aid of the strong photo‐thermal conversion property of nano‐catalysts. The capillary force of sponge is utilized to promote the infiltration of nano‐catalysts with the water/methanol mixture. Experimental results demonstrate that the solar‐driven methanol reforming reaction takes place at a relatively low temperature (≈136 °C), and three factors, including the nano‐catalyst wetting time, the molar ratio of water/methanol, as well as the solar intensity, have noticeable influence on the reaction temperature, which determines the rate of hydrogen production. The maximum solar‐thermochemical conversion efficiency and solar energy utilization efficiency at optimum conditions reach 43.4% and 55.1%, respectively. The work will open a new approach for solar thermochemical energy conversion in the future.
Evolution of Photovoltaic Performance in Fully Printable Mesoscopic Carbon‐Based Perovskite Solar Cells
Authors: Schneider Avi , Alon Stav , Etgar Lioz
Published: May 2019

Hole‐conductor–free carbon‐based perovskite solar cells (C‐PSCs) are a promising candidate for commercialization due to low cost, simple, and industry applicable fabrication methods. However, when measuring the photovoltaic parameters of these cells, they do not achieve their maximal performance immediately following their fabrication, but rather require a certain maturation period. Herein, the natural and induced changes that occur in C‐PSCs are studied after their fabrication is complete. It is observed that the current density increases by natural maturation, and the open‐circuit voltage increases by light‐soaking treatment. Using charge extraction, intensity‐modulated photovoltage spectroscopy, and voltage decay measurements during the three steps of maturation, it is possible to observe some changes in crystallization and surface traps, which are the cause for the evolution in the photovoltaic parameters. Moreover, in the case of two‐step deposition, the cells achieve their final performance already as fresh cells in contrast to the case of one‐step deposition cells. The conclusions offer practical information regarding the preparation and optimal measurement conditions of C‐PSCs as well as possible prospects for the improvement and optimization of this cell type.