bluuebunny/crossref_metadata_2025 huggingface dataset:
Identification of Synthetic Activators of Cancer Cell Migration by Hybrid Deep Learning
Authors: Bruns Dominique , Gawehn Erik , Kumar Karthiga Santhana , Schneider Petra , Baumgartner Martin , Schneider Gisbert
Published: August 2019

Deep convolutional neural networks (CNNs) are a method of choice for image recognition. Herein a hybrid CNN approach is presented for molecular pattern recognition in drug discovery. Using self‐organizing map images of molecular pharmacophores as input, CNN models were trained to identify chemokine receptor CXCR4 modulators with high accuracy. This machine learning classifier identified first‐in‐class synthetic CXCR4 full agonists. The receptor‐activating effects were confirmed by intracellular cAMP response and in a phenotypic spheroid invasion assay of medulloblastoma cell invasion. Additional macromolecular targets of the small molecules were predicted in silico and tested in vitro, revealing modulatory effects on dopamine receptors and CCR1. These results positively advocate the applicability of molecular image recognition by CNNs to ligand‐based virtual compound screening, and demonstrate the complementarity of machine intelligence and human expert knowledge.
Chvostek sign
Authors: Rodrigues Roberto , Teles Luís
Published: August 2019

Careful anamnesis can act as gasometry in services with few resources. In this clinical case, a detailed clinical history made it possible to suspect the presence of acute hypocalcemia, a biochemical anomaly after confirmed in gasometry. Acute hypocalcemia can be life threatening, necessitating urgent treatment. Sometimes it can be managed with oral ambulatory treatment.
Mesoporous Silica‐Encaged Ultrafine Bimetallic Nanocatalysts for CO2 Hydrogenation to Formates
Authors: Sun Qiming , Fu Xinpu , Si Rui , Wang Chi‐Hwa , Yan Ning
Published: August 2019

CO2 hydrogenation to formic acid/formate has been recognized as a key reaction to realizing the CO2‐mediated hydrogen energy cycle. Herein, ultrafine and well‐dispersed Pd−CoO nanoparticles (∼1.8 nm) were encapsulated within mesoporous silica nanospheres (MSNs) via a facile one‐pot ligand‐protected synthesis strategy. The MSN‐encaged bimetallic nanocatalysts exhibit excellent catalytic activity and stability for the formate production from CO2 hydrogenation, showing high turnover frequency value up to 1824 h−1 at 373 K, which is among the top‐level reported for heterogeneous catalysts.
Steam Gasification of Biochar Derived from the Pyrolysis of Chrome‐Tanned Leather Shavings
Authors: Ferreira Suelem Daiane , Junges Janaína , Scopel Bianca , Manera Christian , Osório Eduardo , Lazzarotto Ivan Pedro , Godinho Marcelo
Published: August 2019

Chromium‐treated leather shavings are generated in large quantities by the leather industry. The biochar gasification from leather shavings leads to two main products, a hydrogen‐rich syngas and a chromium‐rich ash. Syngas has found different applications such as electricity generation and chemical manufacturing. The remaining ash potentially can be utilized, e.g., in stainless‐steel production processes. The thermochemical conversion of biochar from chromium‐tanned leather shavings via steam gasification was investigated. The cumulative gas yield and cumulative H2 yield were determined as well as the total chromium as Cr2O3 in the remaining ash.
Photocatalytic Hydrogen Generation by Vesicle‐Embedded [FeFe]Hydrogenase Mimics: A Mechanistic Study
Authors: Becker René , Bouwens Tessel , Schippers Esther C. F. , van Gelderen Toon , Hilbers Michiel , Woutersen Sander , Reek Joost N. H.
Published: August 2019

Artificial photosynthesis—the direct photochemical generation of hydrogen from water—is a promising but scientifically challenging future technology. Because nature employs membranes for photodriven reactions, the aim of this work is to elucidate the effect of membranes on artificial photocatalysis. To do so, a combination of electrochemistry, photocatalysis, and time‐resolved spectroscopy on vesicle‐embedded [FeFe]hydrogenase mimics, driven by a ruthenium tris‐2,2′‐bipyridine photosensitizer, is reported. The membrane effects encountered can be summarized as follows: the presence of vesicles steers the reactivity of the [FeFe]‐benzodithiolate catalyst towards disproportionation, instead of protonation, due to membrane characteristics, such as providing a constant local effective pH, and concentrating and organizing species inside the membrane. The maximum turnover number is limited by photodegradation of the resting state in the catalytic cycle. Understanding these fundamental productive and destructive pathways in complex photochemical systems allows progress towards the development of efficient artificial leaves.
Directed C−H Halogenation Reactions Catalysed by PdII Supported on Polymers under Batch and Continuous Flow Conditions
Authors: Majeed Maitham H. , Shayesteh Payam , Tunå Per , Persson Axel R. , Gritcenko Roman , Wallenberg L. Reine , Ye Lei , Hulteberg Christian , Schnadt Joachim , Wendt Ola F.
Published: August 2019

A new generation of N‐heterocyclic carbene palladium(II) complexes containing vinyl groups in different positions in the backbone of the N‐heterocycle have been developed. The fully characterised monomers were copolymerised with divinylbenzene to fabricate robust polymer supported NHC‐PdII complexes and these polymers were applied as heterogeneous catalysts in directed C−H halogenation of arenes with a pyridine‐type directing group. The catalysts demonstrated medium‐high catalytic activity with up to 90 % conversion and 100 % selectivity in chlorination. They are heterogeneous and recyclable (at least six times) with no significant leaching of palladium in batch mode catalysis. The best catalyst was also applied under continuous flow conditions where it disclosed an exceptional activity (90 % conversion) and 100 % selectivity for the mono‐halogenated product for at least six days, with no leaching of palladium, no loss of activity and an ability to maintain the original oxidation state of PdII.
Hydrofunctionalisation of an Aromatic Triphosphabenzene
Authors: Falconer Rosalyn L. , Zeng Dihao , Green Michael , Stephan Douglas W. , McGrady John E. , Russell Christopher A.
Published: August 2019

The aromatic heterocycle 2,4,6‐tri‐tert‐butyl‐1,3,5‐triphosphabenzene reacts with a series of silanes, germanes and stannanes, with weaker E−H bonds reacting in an increasingly facile manner. All react by 1,4‐addition to give bicyclic products with diastereomeric ratios varying with the substrate. Density functional theory (DFT) calculations show that activation of the E−H bond occurs across the 1,4‐C/P axis of the triphosphabenzene, with the small energetic differences with respect to the stereochemistry of the addition offering insight into the experimentally observed diastereomeric ratios.
SnO2 Transparent Printing Pastes from Powders for Photon Conversion in SnO2‐Based Dye‐Sensitized Solar Cells
Authors: Cheema Hammad , Delcamp Jared H.
Published: August 2019

Tin oxide (SnO2) is the most attractive alternative to titanium oxide (TiO2) with the aim of identifying a more positive conduction band material for dye‐sensitized solar cells (DSCs). This study puts forward a protocol based on grinding, sonication, and centrifuge to generate transparent SnO2 pastes to minimize light reflectance losses from the metal oxide. Under optimized conditions, a highly transparent film with substantially enhanced light penetration depth through active layer SnO2 is realized for efficient light harvesting from two different commercially available powders (18 and 35 nm nanoparticle sizes). A ruthenium sensitizer (B11) and two organic sensitizers (NL3 and MK2) are shown to achieve higher or comparable photocurrent densities with SnO2 relative to standard TiO2‐based DSCs. SnO2‐based DSCs show minimum recombination losses, comparable charge collection efficiencies, and minimal photovoltage losses relative to TiO2 DSCs. Thus, the option of a transparent metal oxide, which can facilitate high photocurrents (>16 mA cm−2 observed) and lower recombination rates than TiO2 is an attractive material for DSC applications.
2‐Sulfanylhydroquinone Dimer as a Switchable Fluorescent Dye
Authors: Kamimura Akio , Sakamoto Sanshiro , Umemoto Haruka , Kawamoto Takuji , Sumimoto Michinori
Published: August 2019

A new dye was developed, the photoluminescence properties of which are controlled by a chemical reaction. The fluorescence properties of 2‐sulfanylhydroquinone dimers depend on the number of hydroxyl groups that are acylated. Unprotected or monoacylated 2‐sulfanylhydroquinone dimers displayed good fluorescence properties, whereas diacylated and tetraacylated 2‐sulfanylhydroquinone dimers showed dramatically decreased fluorescence. A monomesylated derivative was devised, which shows good fluorescence characteristics as a switching fluorescence dye through a chemical reaction.
Use of chiral auxiliaries in the asymmetric synthesis of biologically active compounds: A review
Authors: Diaz‐Muñoz Gaspar , Miranda Izabel Luzia , Sartori Suélen Karine , de Rezende Daniele Cristina , Alves Nogueira Diaz Marisa
Published: August 2019

This review article describes the use of some of the most popular chiral auxiliaries in the asymmetric synthesis of biologically active compounds. Chiral auxiliaries derived from naturally occurring compounds, such as amino acids, carbohydrates, and terpenes, are considered essential tools for the construction of highly complex molecules. We highlight the auxiliaries of Evans, Corey, Yamada, Enders, Oppolzer, and Kunz, which led to remarkable progress in asymmetric synthesis in the last decades and continue to bring advances until the present day.
Videos improve patient understanding of misunderstood chemotherapy terminology
Authors: Pentz Rebecca D. , Lohani Minisha , Hayban Melissa , Switchenko Jeffrey M. , Dixon Margie D. , DeFeo Richard J. , Orloff Gregg M. , Jani Ashesh B. , Master Viraj A.
Published: August 2019

Background

Chemotherapy is the backbone of many cancer therapies; however, the terminology used to describe chemotherapy may be difficult for patients to understand, particularly in underserved populations. Studies have shown that educational videos can improve patient understanding of cancer‐related terms. The goal of this study was to identify chemotherapy terms that were difficult for an underserved population to understand and then develop and test educational videos describing these terms.

Methods

A word bank of 50 difficult‐to‐understand chemotherapy terms was developed by querying 15 providers and 50 patients at an underserved hospital. Twenty of these terms were then tested with 50 additional patients to determine rates of misunderstanding. Six pilot educational videos describing 6 important terms were created using VideoScribe and then assessed with 50 patients to see if they improved understanding.

Results

Fifteen of the 20 terms tested to establish rates of misunderstanding were misunderstood by more than one third of patients, with 98% unable to define maintenance, 74% unable to define cancer, and 58% unable to define chemotherapy. Patient understanding of all 6 terms improved by at least 20% after watching the videos. Notable improvement was reported for palliative chemotherapy, where before‐and‐after video understanding increased from 0% to 72%.

Conclusion

Chemotherapy, a backbone of cancer treatment, is described with terms that are difficult to understand. Short, animated educational videos can significantly increase patient understanding of chemotherapy terminology.
A polynomial‐time algorithm for simple undirected graph isomorphism
Authors: He Jing , Chen Jinjun , Huang Guangyan , Cao Jie , Zhang Zhiwang , Zheng Hui , Zhang Peng , Zarei Roozbeh , Sansoto Ferry , Wang Ruchuan , Ji Yimu , Fan Weibei , Xie Zhijun , Wang Xiancheng , Guo Mengjiao , Chi Chi‐Hung , de Souza Paulo A. , Zhang Jiekui , Li Youtao , Chen Xiaojun , Shi Yong , Green David , Kersi Taraporewalla , Van Zundert André
Published: August 2019

The graph isomorphism problem is to determine two finite graphs that are isomorphic which is not known with a polynomial‐time solution. This paper solves the simple undirected graph isomorphism problem with an algorithmic approach as NP=P and proposes a polynomial‐time solution to check if two simple undirected graphs are isomorphic or not. Three new representation methods of a graph as vertex/edge adjacency matrix and triple tuple are proposed. A duality of edge and vertex and a reflexivity between vertex adjacency matrix and edge adjacency matrix were first introduced to present the core idea. Beyond this, the mathematical approval is based on an equivalence between permutation and bijection. Because only addition and multiplication operations satisfy the commutative law, we propose a permutation theorem to check fast whether one of two sets of arrays is a permutation of another or not. The permutation theorem was mathematically approved by Integer Factorization Theory, Pythagorean Triples Theorem, and Fundamental Theorem of Arithmetic. For each of two n‐ary arrays, the linear and squared sums of elements were respectively calculated to produce the results.
Mechanism and Functionality of Pnictogen Dual Aromaticity in Pentazolate Crystals
Authors: Zhang Lei , Yao Chuang , Yu Yi , Wang Xing , Sun Chang Q. , Chen Jun
Published: August 2019

Our recent work (J. Phys. Chem. Lett. 2019, 10, 2378) reported the discovery of the abnormal pnictogen dual aromaticity (π and σ) in cyclo‐N5−, which makes the anion unstable in nature but confers enhanced stability in sufficiently acid solution. Herein, we present systematic quantum calculations on the structures, energetics and dynamics of the pentazolate salt and metal pentazolate hydrates, focusing on the mechanism and functionality of the pnictogen dual aromaticity in these crystals, which are verified by experiments. We find that owning a net charge of −e is crucial to the formation of the dual aromaticity and the stabilization of the cyclo‐N5−. The competition between the dual aromaticity and the proton affinity drives the cyclo‐N5− to be unreactive to acid and remain unprotonated in these crystals. We decompose the crystal packing effect into pure mechanical compression and interspecies nonbonding interactions, and figure out that the type and number of the adjacent counterions of the cyclo‐N5− anion, instead of the compression effect, accounts for the protonation state reversion in the vacuum and in the crystal. The current work supports our original conclusion (Science 2018, 359, eaas8953) and is expected to provide compelling evidence against the current debate on the cyclo‐N5− stability (Science 2018, 359, eaao3672; J. Phys. Chem. Lett. 2018, 9, 7137; J. Am. Chem. Soc. 2019, 141, 2984).
Dog‐assisted therapy in the dental clinic: Part A—Hazards and assessment of potential risks to the health and safety of humans
Authors: Gussgard Anne M. , Weese J. Scott , Hensten Arne , Jokstad Asbjørn
Published: August 2019

Background

Dog‐assisted therapy in the dental clinic may be an attractive alternative to sedation for anxious patients. Including a dental therapy dog in a clinical setting introduces new hazards and potential risks to health and safety for both humans and animal.

Objectives

The study aims to describe potential hazards associated with risks to humans by having a therapy dog present in the dental clinic and to provide guidance on best practices to minimise and control risks for the patients, the dentist, and the dental clinic staff.

Materials and Methods

Literature searches in Medline, Clinicaltrials.gov, and Google Scholar for qualitative and quantitative assessments of hazards and risks associated with the use of therapy dogs in health care settings, in combination with a review of the reference list of the included studies. Identified hazards and risks were analysed with respect for the health and welfare of humans in a dental clinic setting that involves the presence of a therapy dog.

Results

Potential risks to health and safety for humans in dental clinics that offer dog‐assisted therapy can be categorised within four general categories of hazards: the dog as a source of zoonotic pathogens and human diseases, exposure to canine allergens, adverse animal behaviour, and dangers associated with high activity in a congested dental clinic operatory. Risks to humans are reduced by maintaining awareness amongst the dental clinic staff and the dog handler of all potential hazards in the dental clinic, and on how to reduce these hazards as well as adverse events that may scare the dental therapy dog.

Conclusions

Risks to the health and safety of humans in the presence of therapy dog in the clinics are present but are low if the dental clinical staff and dog handlers comply with best practices.
Activated Ras/JNK driven Dilp8 in imaginal discs adversely affects organismal homeostasis during early pupal stage in Drosophila, a new checkpoint for development
Authors: Ray Mukulika , Lakhotia Subhash C.
Published: August 2019

Background

Dilp8‐mediated inhibition of ecdysone synthesis and pupation in holometabolous insects maintains developmental homeostasis through stringent control of timing and strength of molting signals. We examined reasons for normal pupation but early pupal death observed in certain cases.

Results

Overexpression of activated Ras in developing eye/wing discs inhibited Ptth expression in brain via upregulated JNK signaling mediated Dilp8 secretion from imaginal discs, which inhibited ecdysone synthesis in prothoracic gland after pupariation, leading to death of ~25‐ to 30‐hour‐old pupae. Inhibition of elevated Ras signaling completely rescued early pupal death while post‐pupation administration of ecdysone to organisms with elevated Ras signaling in eye discs partially rescued their early pupal death. Unlike the earlier known Dilp8 action in delaying pupation, hyperactivated Ras mediated elevation of pJNK signaling in imaginal discs caused Dilp8 secretion after pupariation. Ectopic expression of certain other transgene causing pupal lethality similarly enhanced pJNK and early pupal Dilp8 levels. Suboptimal ecdysone levels after 8 hours of pupation prevented the early pupal metamorphic changes and caused organismal death.

Conclusions

Our results reveal early pupal stage as a novel Dilp8 mediated post‐pupariation checkpoint and provide further evidence for interorgan signaling during development, wherein a peripheral tissue influences the CNS driven endocrine function.
Metabolism and foraging strategies of mid‐latitude mesozooplankton during cyanobacterial blooms as revealed by fatty acids, amino acids, and their stable carbon isotopes
Authors: Eglite Elvita , Graeve Martin , Dutz Jörg , Wodarg Dirk , Liskow Iris , Schulz‐Bull Detlef , Loick‐Wilde Natalie
Published: August 2019

Increasing sea surface temperatures (SST) and blooms of lipid‐poor, filamentous cyanobacteria can change mesozooplankton metabolism and foraging strategies in marine systems. Lipid shortage and imbalanced diet may challenge the build‐up of energy pools of lipids and proteins, and access to essential fatty acids (FAs) and amino acids (AAs) by copepods. The impact of cyanobacterial blooms on individual energy pools was assessed for key species temperate Temora longicornis and boreal Pseudo‐/Paracalanus spp. that dominated field mesozooplankton communities isolated by seasonal stratification in the central Baltic Sea during the hot and the cold summer. We looked at (a) total lipid and protein levels, (b) FA trophic markers and AA composition, and (c) compound‐specific stable carbon isotopes (δ13C) in bulk mesozooplankton and in a subset of parameters in particulate organic matter. Despite lipid‐poor cyanobacterial blooms, the key species were largely able to cover both energy pools, yet a tendency of lipid reduction was observed in surface animals. Omni‐ and carnivory feeding modes, FA trophic makers, and δ13C patterns in essential compounds emphasized that cyanobacterial FAs and AAs have been incorporated into mesozooplankton mainly via feeding on mixo‐ and heterotrophic (dino‐) flagellates and detrital complexes during summer. Foraging for essential highly unsaturated FAs from (dino‐) flagellates may have caused night migration of Pseudo‐/Paracalanus spp. from the deep subhalocline waters into the upper waters. Only in the hot summer (SST>19.0°C) was T. longicornis submerged in the colder subthermocline water (~4°C). Thus, the continuous warming trend and simultaneous feeding can eventually lead to competition on the preferred diet by key copepod species below the thermocline in stratified systems. A comparison of δ13C patterns of essential AAs in surface mesozooplankton across sub‐basins of low and high cyanobacterial biomasses revealed the potential of δ13C‐AA isoscapes for studies of commercial fish feeding trails across the Baltic Sea food webs.
Global climate change and invariable photoperiods: A mismatch that jeopardizes animal fitness
Authors: Walker William H. , Meléndez‐Fernández Olga Hecmarie , Nelson Randy J. , Reiter Russel J.
Published: August 2019

The Earth's surface temperature is rising, and precipitation patterns throughout the Earth are changing; the source of these shifts is likely anthropogenic in nature. Alterations in temperature and precipitation have obvious direct and indirect effects on both plants and animals. Notably, changes in temperature and precipitation alone can have both advantageous and detrimental consequences depending on the species. Typically, production of offspring is timed to coincide with optimal food availability; thus, individuals of many species display annual rhythms of reproductive function. Because it requires substantial time to establish or re‐establish reproductive function, individuals cannot depend on the arrival of seasonal food availability to begin breeding; thus, mechanisms have evolved in many plants and animals to monitor and respond to day length in order to anticipate seasonal changes in the environment. Over evolutionary time, there has been precise fine‐tuning of critical photoperiod and onset/offset of seasonal adaptations. Climate change has provoked changes in the availability of insects and plants which shifts the timing of optimal reproduction. However, adaptations to the stable photoperiod may be insufficiently plastic to allow a shift in the seasonal timing of bird and mammal breeding. Coupled with the effects of light pollution which prevents these species from determining day length, climate change presents extreme evolutionary pressure that can result in severe deleterious consequences for individual species reproduction and survival. This review describes the effects of climate change on plants and animals, defines photoperiod and the physiological events it regulates, and addresses the consequences of global climate change and a stable photoperiod.
Heart failure around the world
Authors: Tromp Jasper , Ferreira João Pedro , Janwanishstaporn Satit , Shah Monica , Greenberg Barry , Zannad Faiez , Lam Carolyn S.P.
Published: August 2019

With increasingly large sample sizes required to demonstrate event reduction, heart failure outcome trials are no longer being performed in a small group of selected patients and countries, but at a global scale with worldwide contribution of patients from countries with considerable differences in background therapy, socioeconomic status and healthcare practices. Recent studies have highlighted how socioeconomic determinants rather than geographical factors may underlie the heterogeneity of patient populations across the globe. Therefore, in this review, we evaluated (i) regional differences in patient characteristics and outcomes in recent epidemiologic studies; (ii) regional differences in worldwide representativeness of clinical trial populations; and (iii) the role of socioeconomic determinants in driving country differences in heart failure trial enrolment and clinical outcomes.
A Tandem Asymmetric Friedel–Crafts Alkylation/Michael Addition: Synthesis of Novel Ergoline Derivatives
Authors: Connon Robert , Guiry Patrick J.
Published: August 2019

Herein, we report the development of an asymmetric tandem Friedel–Crafts alkylation/Michael addition of 4‐substituted indoles with trans‐β‐nitrostyrene derivatives. By employing a chiral ZnII‐(bis)oxazoline catalyst we could control the formation of three contiguous chiral centers in one step in 57 %–99 % yield and up to > 99 % ee. This methodology provides easy access to a range of novel C4‐substituted products containing the tricyclic core of the ergoline skeleton and allows for the synthesis of tetracyclic ergoline derivatives with four chiral centers, in high enantioselectivity and as single isolated diastereomers.
Unified Total Synthesis of Hetiamacins A–D
Authors: Tsukaguchi Shogo , Enomoto Masaru , Towada Ryo , Ogura Yusuke , Kuwahara Shigefumi
Published: August 2019

A concise enantioselective total synthesis of hetiamacin A has been accomplished from a known l‐aspartic acid derivative by an eight‐step sequence that features ammonolytic opening of the γ‐lactone moiety of amicoumacin C followed by 1,3‐oxazinane ring formation in one pot. Hetiamacins B–D with putatively assigned stereochemistries have also been synthesized from amicoumacin C, each in three steps involving tetrahydro‐4(1H)‐pyrimidinone ring formation. The excellent NMR spectroscopic agreement of the synthetic materials with the corresponding natural products, coupled with biosynthetic considerations, has enabled the full stereochemical assignments of hetiamacins B–D.
Heterocyclic Chemistry – A Mature Area in Its Infancy!
Authors: Reiser Oliver
Published: August 2019

For a long time, the construction of heterocycles reliably forged a carbonheteroatom bond by the interaction between a nucleophilic heteroatom and an electrophilic C=X or C–X‐moiety. This concept has been greatly expanded with the development of many synthetic methods that seemingly defy standard reactivities in molecules. The collection of almost 100 articles in the special issues of Eur. J. Org. Chem. and Asian Org. Chem. impressively attest to the creativity and efforts that are going on in this field: mature, but still young at heart.
Synthesis of Cationic Pyridinium‐(Bacterio)Chlorophyll Conjugates Bearing a Bacteriochlorin, Chlorin, or Porphyrin π‐Skeleton and their Photophysical and Electrochemical Properties
Authors: Takahashi Tatsuya , Ogasawara Shin , Shinozaki Yoshinao , Tamiaki Hitoshi
Published: August 2019

Fine‐tuning the electronic absorption properties of chlorophylls is important for their use as light‐absorbing pigments. By oxidative coupling, a cationic pyridinium group was selectively introduced at the peripheral vinyl group of three types of synthetic chlorophylls with different degrees of π‐conjugation of the cyclic tetrapyrroles (bacteriochlorin, chlorin, and porphyrin). The substitution with the electron‐withdrawing pyridinium group moved redmost electronic absorption and main fluorescence emission maxima to longer wavelengths. This substitution effect depended on the core π‐system and decreased with increasing the degree of dehydrogenation of the cyclic tetrapyrrole (bacteriochlorin > chlorin > porphyrin). Moreover, fluorescence quenching was observed as a consequence of the introduction of the pyridinium group. The electrochemical measurements and theoretical model calculations showed that the quenching is ascribed to an intramolecular electron transfer from the core π‐skeleton to the peripheral cationic pyridinium group.
Commentary regarding: “Activity determination of FAD‐dependent glucose dehydrogenase immobilized in PEDOT: PSS‐PVA composite films for biosensor applications”
Authors: Walz Anna‐Lena , Liebl Lana , Schmitt Katrin , Scharfer Philip , Schabel Wilhelm
Published: August 2019

In the light of continuous improvement and optimization, recent experiments that the authors conducted give new insights into the applied evaluation method of Riegel et al. [1]: Thorough investigations of the previous results regarding the usage of the Lowry Assay showed discrepancies in the determination of the released amount of protein in the analysis solution. The accurate quantification of this parameter is crucial as it directly influences the calculation of the residual enzymatic activity. In concrete terms, this finding has a major impact on the presented and discussed results in the article “Activity determination of FAD‐dependent glucose dehydrogenase immobilized in PEDOT: PSS‐PVA composite films for biosensor applications” [1]. Thus, this commentary addresses the new insights concerning the applied evaluation method, explains necessary revisions and discusses new conclusions derived from the adjusted evaluation method.
H2, H∞, H2/H∞, and μ‐synthesis controllers for the speed and temperature control of a real gas turbine unit in a combined cycle power plant
Authors: Haji Haji Vahab , Fekih Afef , Monje Concepción Alicia , Fakhri Asfestani Ramin
Published: August 2019

This paper designs, implements, and compares the performance of a H2, H∞, H2/H∞, and μ‐synthesis approach for a V94.2 gas turbine mounted in Damavand combined cycle power plant. The controllers are designed to maintain the speed and exhaust temperature within their desired intervals and to ensure the robust performance of the gas turbine power plant (GTPP) in the presence of uncertainties and load demand variations. A linear model of the GTPP is first estimated using V94.2 gas turbine real‐time data and an autoregressive with exogenous input (ARX) identification approach, and then verified by residual analysis tests and steady‐state performance. The H2, H∞, H2/H∞, and μ‐synthesis controllers are then designed and implemented to the ARX model of the GTPP. The performance of the approaches is assessed and compared in terms of tracking capability, robustness, and transient performance. Additionally, the controllers' performance is compared to that of a conventional PID approach. Despite the slight variations in the performance, all the controllers exhibited robust stability and good overall performance in the presence of model uncertainties and load variations.
Simulation and partial prototyping of an eight‐junction holographic spectrum‐splitting photovoltaic module
Authors: Darbe Sunita , Escarra Matthew D. , Warmann Emily C. , Atwater Harry A.
Published: August 2019

Spectrum‐splitting photovoltaics incorporate optical elements to separate sunlight into frequency bands, which can be targeted at solar cells with bandgaps optimized for each sub‐band. Here, we present the design of a holographic diffraction grating‐based spectrum‐splitting photovoltaic module integrating eight III‐V compound semiconductor cells as four dual‐junction tandems. Four stacks of simple sinusoidal volume phase holographic diffraction gratings each simultaneously split and concentrate sunlight onto cells with bandgaps spanning the solar spectrum. The high‐efficiency cells get an additional performance boost from concentration incorporated using a single or a compound trough concentrator, providing up to 380X total concentration. Cell bandgap optimization incorporated an experimentally derived bandgap‐dependent external radiative efficiency function. Simulations show 33.2% module conversion efficiency is achievable. One grating stack is experimentally fabricated and characterized.
Dementia literacy in Western Pacific countries: A mixed methods study
Authors: Leung Angela Yee Man , Leung Sau Fong , Ho Grace W.K. , Bressington Daniel , Molassiotis Alex , Lam Claire , Ligot Jason , Valdez Les Paul , Lazalita La. Arnie , Chhit Sophal , Chou Phallyka , Valimaki Maritta
Published: August 2019

Objectives

To examine levels of knowledge about dementia and attitudes towards dementia in low‐ and middle‐income countries (LMICs), identify sources to turn to for help, and explore the relationship between knowledge and attitudes.

Methods

This mixed methods study with both quantitative (a cross‐sectional survey) and qualitative (focus group interviews) components was conducted in Cambodia, the Philippines, and Fiji in 2017‐18. A survey was completed by the citizens of the three countries, and two focus group interviews were conducted in each country to generate a context‐specific understanding of dementia literacy within the local LMIC setting. The quantitative component utilized the Alzheimer's Disease Knowledge Scale and the Dementia Attitude Scale, while knowledge, attitudes, and views on seeking help for dementia was discussed in the focus group interviews (qualitative component).

Results

A total of 476 participants completed the survey. Another 54 participants (39 females and 15 males) were invited to join six focus group interviews to express their views on dementia. Positive attitudes were noted despite the level of dementia knowledge was low. Families and religious figures were viewed as the sources for help. Controlling for demographics, country‐specific predictors of positive attitudes towards dementia were found.

Conclusions

The involvement of family members and religious leaders in dementia education could enhance the recognition of dementia. Specific kinds of dementia knowledge should be targeted to educate the public in different countries.
Rituximab in primary central nervous system lymphoma—A systematic review and meta‐analysis
Authors: Schmitt Andreas M. , Herbrand Amanda K. , Fox Christopher P. , Bakunina Katerina , Bromberg Jacoline E.C. , Cwynarski Kate , Doorduijn Jeanette K. , Ferreri Andrés J.M. , Illerhaus Gerald , Issa Samar , Schorb Elisabeth , Zucca Emanuele , Hemkens Lars G. , Schandelmaier Stefan , Kasenda Benjamin
Published: August 2019

The CD‐20 antibody rituximab is a standard component of treatment of non‐Hodgkin B‐cell lymphomas, including diffuse large B‐cell lymphoma (DLBCL). Primary DLBCL of the central nervous system, also called primary central nervous system lymphoma (PCNSL), is a DLBCL confined to the central nervous system. There has been debate whether intravenous rituximab accumulates sufficiently in the central nervous system to exert an effect. In this systematic review, we assess the benefits and harms of rituximab in the treatment of immunocompetent patients with PCNSL. By searching MEDLINE, CENTRAL, and ClincialTrials.gov up to March 2019, we identified randomized controlled trials (RCTs) investigating the effect of rituximab in patients with PCNSL. We extracted study characteristics and results, assessed risk of bias, performed trial‐level random‐effects meta‐analyses, and graded the certainty of evidence. The protocol was registered with PROSPERO (CRD42019121965). Main outcomes were overall survival (time to death), progression‐free survival (time to progression or death), quality of life, grades 3 and 4 toxicity, and treatment‐related mortality. We included two RCTs with a total of 343 participants. Overall survival was not statistically significantly improved (HR 0.76; 95% CI, 0.52‐1.12; low certainty), with 187 fewer to 39 more deaths after 2 years in 1000 treated patients. Low certainty of evidence indicated that rituximab improved progression‐free survival (HR 0.65; 95% CI, 0.45‐0.95), which translated into 137 fewer progressions or deaths after 2 years in 1000 treated patients (231 to 18 fewer). None of the RCTs provided data on quality of life. We found no evidence that rituximab increased grades 3 and 4 toxicity or treatment‐related mortality (RR 0.53; 95% CI, 0.20‐1.37; low certainty). Overall, the available evidence suggests with low certainty that rituximab in combination with methotrexate‐based chemotherapy may improve progression‐free survival in immunocompetent patients with newly diagnosed PCNSL, the pooled effect estimates did not show evidence for improvement of overall survival.
Synthesis, photoluminescence, and electroluminescence characterization of double tetraphenylethene‐tethered BODIPY luminogens
Authors: Yang Chiun‐Jen , Lee Jian Haur , Chen Chin‐Ti
Published: August 2019

Three double tetraphenylethene (TPE)‐tethered 4‐difluoro‐4‐bora‐3a,4a‐diaza‐s‐indance (BODIPY) fluorophores, 35TPEBODP, 88TPEBODP, and 26TPEBODP, have been synthesized and characterized. The green 35TPEBODP with deep red fluorescence shows serious thermal decomposition in the purification process of sublimation, which prohibits its test for an organic light‐emitting diode (OLED) fabricated by the vacuum–thermal evaporation process. The tethered TPE is attached to BODIPY at three different positions, resulting in different photoluminescence (emission wavelength and quantum yield) and electroluminescence (EL). Different from TPE‐tethered BODIPY fluorophores reported in literature, none of the BODIPY fluorophores studied here exhibits aggregation‐induced emission (AIE), aggregation‐induced enhanced emission (AIEE), or twisted intramolecular charge transfer (TICT) characteristics. Although solution (10−5 M THF) photoluminescence quantum yields (ϕs) are relatively high at 78%, 68%, and 86% for 35TPEBODP, 88TPEBODP, and 26TPEBODP, respectively, which are all higher than 41% of PhBODP (a non‐TPE‐tethered BODIPY), the ϕ is significantly decreased to 1–6% in 5 wt% dopant polystyrene thin film or as a solid powder, except for 13% of 26TPEBODP. Therefore, due to the low ϕ of dopant thin film or solid powder, either dopant or nondopant OLEDs exhibit inferior external quantum efficiency (EQE) and intensity of EL. The best OLED in this study is the 26TPEBODP device, and its EQE reaches 1.3%, and the highest EL intensity is approximately 1,600 cd/m2.
Response to salinity and temperature changes in the alien Asian copepod Pseudodiaptomus marinus introduced in the Black Sea
Authors: Svetlichny Leonid , Hubareva Elena , Khanaychenko Antonina , Uttieri Marco
Published: August 2019

The salinity tolerance and the effect of temperature were studied on the behavior and motor activity of the nonindigenous Indo‐Pacific calanoid copepod Pseudodiaptomus marinus, first found in Sevastopol Bay (Black Sea) in autumn 2016. According to the index of median lethal salinity (LS50), the salinity tolerance range of adult P. marinus collected at 18.0 psu in November 2016 and subsequently reared in the laboratory amounted to 5.0–44.0 psu, independently of the acclimation regime. Females of P. marinus collected in December 2016 at 12.0°C became torpid at 8.0°C, a value typical of winter–spring Black Sea coastal areas. An increase in temperature from 8.0°C to 27.0°C led to an increase in the beat frequency of mouth appendages, swimming speed, and time spent cruising. However, at the same high temperature, the mean cruising speed in the feeding‐current feeder P. marinus was 2‐fold lower than that of the native, similarly sized cruise feeder Pseudocalanus elongatus. On the contrary, mouthpart beat frequency while cruising was 2‐fold higher reaching 80 Hz, due to the creation of feeding currents in P. marinus. The results of our experiments confirm the euryhaline character of P. marinus, and point to an apparent ability to survive cold temperatures in a torpid state. This suggests the possibility of entering an overwintering stage to survive the adverse cold winter–spring environmental conditions of the Black Sea, similarly to the recent thermophilic Indo‐Pacific invader Oithona davisae which established a successful population in the same area.
A Facile Synthesis of Raltegravir Potassium—An HIV Integrase Inhibitor
Authors: Karumanchi Kishore , Nangi Gangadhara Bhima Shankar , Danda Subba Reddy , Chavakula Ramadas , Korupolu Raghu Babu , Bonige Kishore Babu
Published: August 2019

A facile, cost‐effective, and commercially viable synthesis of Raltegravir Potassium (1) has been developed from 2‐(1‐amino‐1‐methyl‐ethyl)‐N‐[(4‐fluorophenyl)methyl]‐1,6‐dihydro‐5‐hydroxy‐1‐methyl‐6‐oxo‐4‐pyrimidinecarboxamide (9) with high purity and in good yields. In addition, a new approach for the synthesis of key amine intermediate (9) of Raltegravir Potassium (1) from commercially available 2‐amino‐2‐methylpropanenitrile hydrochloride (2) is also described. The key features of the synthesis are fewer synthetic steps, employing the inexpensive reagents and eco‐friendly.
A Convenient Synthesis of Bipyrido‐Fused Coumarins and Their Biological Evaluation
Authors: Giri Rakesh R. , Brahmbhatt Dinkar I.
Published: August 2019

A convenient and efficient strategy has been devised for the synthesis of bipyrido‐fused coumarins employing Kröhnke's pyridine synthesis approach. In the present work, 4‐hydroxycoumarins 1a–d were reacted with appropriate chalcones 2a–c to afford desired bipyridyl‐fused coumarins 3a–l. The structures of all the newly synthesized compounds 3a–l were ascertained by IR, 1H NMR, 13C NMR, mass spectral data, and elemental analyses. The compounds were further evaluated for their antimicrobial response against representative panel of pathogens, and the results thus obtained were compared with those of standard drugs. Few of the derivatives 3c, 3f, and 3i exhibited promising potency.
Arteriovenous femoral fistula after insertion of leadless pacemaker—A case with an anomaly of the deep femoral artery
Authors: Sahashi Yuki , Takasugi Nobuhiro , Yanagimoto Tatsuma Serge , Endo Susumu , Nakashima Takashi , Okura Hiroyuki
Published: August 2019

With the increasing number of implanted leadless pacemakers, complications related to the implantation procedure are being reported. We herein report a case of an 87‐year‐old male with an arteriovenous fistula after leadless pacemaker implantation due to an anomaly of the right deep femoral artery (DFA). In this present case, a right DFA arising from the antero‐medial side of the main femoral artery was attributed to this complication.
Cover Image, Volume 99, Issue 12
Authors: Li Yanshen , Sun Mingxue , Mao Xin , Li Juan , Sumarah Mark W , You Yanli , Wang Yunhui
Published: August 2019

The cover image is based on the Research Article Tracing major metabolites of quinoxaline‐1,4‐dioxides in abalone with high‐performance liquid chromatography tandem positive‐mode electrospray ionization mass spectrometry by Yanshen Li et al., https://doi.org/10.1002/jsfa.9819.

Cover credit: Cover image © Juan Li, Jacob P. Walsh and Yanshen Li Images.

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Evaluation of historical and future wetland degradation using remote sensing imagery and land use modeling
Authors: Hu Tangao , Liu Jiahong , Zheng Gang , Zhang Dengrong , Huang Kangning
Published: August 2019

In recent decades, rapid urbanization and climate change have led to the degradation of many coastal wetlands, impairing their ecosystem functions and services. However, few studies have analyzed how these historical degradation trends will continue into the future, especially in rapidly developing regions. Here, we quantified the long‐term wetland degradation from 1984 to 2016 in Hangzhou Bay and then developed land use simulation models to predict the spatial locations of wetland degradation to 2046 under different scenarios. Key findings include the following: (a) there was a statistically significant decreasing trend for the natural wetlands of ~10 km2 yr−1 on average from 1984 to 2016; (b) after the establishment of an economic development zone in 2001, the degradation rate more than quadrupled, accelerating from ~4 to ~18 km2 yr−1; and (c) if the high degradation rate continues (the economic development scenario), then the coastline will move approximately 5.89 km inland, significantly undermining the protections against sea level rise. In contrast, in the wetland protection scenarios, the projected degradation could be mitigated by ~20%. The proposed framework to reveal the key historical drivers of degradation and potential future protection strategies of wetlands provides much needed insights and tools for protection of other coastal wetlands undergoing rapid development.
Lateral dispersion of dye and drifters in the center of a very large lake
Authors: Choi Jun , Troy Cary , Hawley Nathan , McCormick Michael , Wells Mathew
Published: August 2019

To better understand lateral dispersion of buoyant and nonbuoyant pollutants within the surface waters of large lakes, two lateral dispersion experiments were carried out in Lake Michigan during the stratified period: (1) a dye tracking experiment lasting 1 d; and (2) a drifter tracking experiment lasting 24 d. Both the dye patch and drifters were surface‐released at the center of Lake Michigan's southern basin. Near‐surface shear induced by near‐inertial Poincaré waves partially explains elevated dye dispersion rates (1.5–4.2 m2 s−1). During the largely windless first 5 d of the drifter release, the drifters exhibited nearly scale‐independent dispersion (
K ∼ L0.2), with an average dispersion coefficient of 0.14 m2 s−1. Scale‐dependent drifter dispersion ensued after 5 d, with
K ∼ L1.09 and corresponding dispersion coefficients of 0.3–2.0 m2 s−1 for length scales L = 1500–8000 m. The largest drifter dispersion rates were found to be associated with lateral shear‐induced spreading along a thermal front. Comparisons with other systems show a wide range of spreading rates for large lakes, and larger rates in both the ocean and the Gulf of Mexico, which may be caused by the relative absence of submesoscale processes in offshore Lake Michigan.
Poly(cyclotriphosphazene‐co‐tris(4‐hydroxyphenyl)ethane) Microspheres with Intrinsic Excitation Wavelength Tunable Multicolor Photoluminescence
Authors: Basharat Majid , Liu Wei , Zhang Shuangkun , Abbas Yasir , Wu Zhanpeng , Wu Dezhen
Published: August 2019

Functional photoluminescent materials with a tunable multicolor emission without incorporation of metals is the current focus on luminescent materials due to their multifaceted applications. Herein, novel poly(cyclotriphosphazene‐co‐tris(4‐hydroxyphenyl)ethane) microspheres are synthesized with size distribution of ≈0.8–1.6 µm by reacting hexachlorocyclotriphosphazene and tris(4‐hydroxyphenyl)ethane at different molar ratios under facile conditions. The thermogravimetric analysis shows that the microspheres are highly thermally stable with 10% weight loss at around 500 °C. Fluorescence microscopy results show that the microspheres emit three blue, green, and red colors with an emission maximum at 487, 530, and 623 nm under different excitation wavelengths of 365, 420, and 546 nm, respectively. Furthermore, under UV and visible (365 and 420 nm) excitations, microspheres demonstrate extraordinary photobleaching stability and highly intense luminescence for expending time and repeating excitations. The microspheres also demonstrate semiconductor‐like optical absorption at 235–285 nm with a tail extended to 700 nm. This exploration provides an insight for the preparation of intrinsic superior wavelength tunable multicolor emission materials from phosphazene. These microspheres are potential candidates for anti‐counterfeits, solar cells, full spectrum fluorescence emitters, organic light emitting diodes, biological, catalysis applications and unlock new areas of research on multicolor photoluminescence.
A note on the Schrödinger smoothing effect
Authors: Seo Ihyeok
Published: August 2019

The Kato–Yajima smoothing estimate is a smoothing weighted L2 estimate with a singular power weight for the Schrödinger propagator. The weight has been generalized relatively recently to Morrey–Campanato weights. In this paper we make this generalization more sharp in terms of the so‐called Kerman–Sawyer weights. Our result is based on a more sharpened Fourier restriction estimate in a weighted L2 space. Obtained results are also extended to the fractional Schrödinger propagator.