bluuebunny/crossref_metadata_2025 huggingface dataset:
Fluorous Corannulenes: Ab initio Predictions and the Synthesis of sym‐Pentafluorocorannulene
Authors: Tian Xiaoqi , Xu Jun , Baldridge Kim K. , Siegel Jay S.
Published: November 2019

Ten sym‐penta and deca‐X substituted corannulenes (1–10; X=H, F, CH3, or CF3) define a library of fluorous compounds comprising high symmetry non‐planar aromatic compunds. They provide a group of structurally similar, yet physically distinct structures manifesting special chemical behavior related to their degree of fluorination. Owing to their bowl forms, corannulene derivatives are distinct from planar polynuclear aromatic compounds; they have relatively high dipole moments, accept 1–4 electrons, and display room temperature fluorescence as well as low temp phosphorescence. Electronic structure theory predicts the bowl inversion barrier and physical properties. The syntheses of sym‐pentafluorocorannulene by an efficient late stage fluorination affords a key derivative to calibrate predictions.
Gold and Carbene Relay Catalytic Enantioselective Cycloisomerization/Cyclization Reactions of Ynamides and Enals
Authors: Zhou Liejin , Wu Xingxing , Yang Xing , Mou Chengli , Song Runjiang , Yu Shuyan , Chai Huifang , Pan Lutai , Jin Zhichao , Chi Yonggui Robin
Published: November 2019

The combined use of gold as transition metal catalyst and N‐heterocyclic carbene (NHC) as organic catalyst in the same solution for relay catalytic reactions was disclosed. The ynamide substrate was activated by gold catalyst to form unsaturated ketimine intermediate that subsequently reacted with the enals (via azolium enolate intermediate generated with NHC) effectively to form bicyclic lactam products with excellent diastereo‐ and enantio‐selectivities. The gold and NHC coordination and dissociation can be dynamic and tunable events, and thus allow the co‐existence of both active metal and carbene organic catalysts in appreciable concentrations, for the dual catalytic reaction to proceed.
A Class of FeIII Macrocyclic Complexes with Alcohol Donor Groups as Effective T1 MRI Contrast Agents
Authors: Snyder Eric M. , Asik Didar , Abozeid Samira M. , Burgio Ariel , Bateman Gage , Turowski Steven G. , Spernyak Joseph A. , Morrow Janet R.
Published: November 2019

Early studies suggested that FeIII complexes cannot compete with GdIII complexes as T1 MRI contrast agents. Now it is shown that one member of a class of high‐spin macrocyclic FeIII complexes produces more intense contrast in mice kidneys and liver at 30 minutes post‐injection than does a commercially used GdIII agent and also produces similar T1 relaxivity in serum phantoms at 4.7 T and 37 °C. Comparison of four different FeIII macrocyclic complexes elucidates the factors that contribute to relaxivity in vivo including solution speciation. Variable‐temperature 17O NMR studies suggest that none of the complexes has a single, integral inner‐sphere water that exchanges rapidly on the NMR timescale. MRI studies in mice show large in vivo differences of three of the FeIII complexes that correspond, in part, to their r1 relaxivity in phantoms. Changes in overall charge of the complex modulate contrast enhancement, especially of the kidneys.
Nanoparticle Size‐Fractionation through Self‐Standing Porous Covalent Organic Framework Films
Authors: Dey Kaushik , Kunjattu H. Shebeeb , Chahande Anurag M. , Banerjee Rahul
Published: November 2019

Covalent organic frameworks (COFs) have attracted attention due to their ordered pores leading to important industrial applications like storage and separation. Combined with their modular synthesis and pore engineering, COFs could become ideal candidates for nanoseparations. However, the fabrication of these microcrystalline powders as continuous, crack‐free, robust films remains a challenge. Herein, we report a simple, slow annealing strategy to construct centimeter‐scale COF films (Tp‐Azo and Tp‐TTA) with micrometer thickness. The as‐synthesized films are porous (SABET=2033 m2 g−1 for Tp‐Azo) and chemically stable. These COFs have distinct size cut‐offs (ca. 2.7 and ca. 1.6 nm for Tp‐Azo and Tp‐TTA, respectively), which allow the size‐selective separation of gold nanoparticles. Unlike, other conventional membranes, the durable structure of the COF films allow for excellent recyclability (up to 4 consecutive cycles) and easy recovery of the gold nanoparticles from the solution.
Half‐sandwich ruthenium complexes with Schiff base ligands bearing a hydroxyl group: Preparation, characterization and catalytic activities
Authors: Jia Wei‐Guo , Wang Zhi‐Bao , Zhi Xue‐Ting
Published: November 2019

Three half‐sandwich ruthenium(II) complexes with hydroxyl group functionalized Schiff‐base ligands [Ru(p‐cymene)LCl] (2a‐2c) have been synthesized and characterized. All ruthenium complexes were fully characterized by 1H and 13C NMR spectra, mass spectrometry and infrared spectrometry. The molecular structure of ruthenium complex 2c was confirmed by single‐crystal X‐ray diffraction methods. Furthermore, these half‐sandwich ruthenium complexes were found to exhibit high catalytic activity for nitro compounds reduction using NaBH4 reducing agent in the presence of cetyltrimethylammonium bromide (CTAB) in water at room temperature.
Triruthenium carbonyl complexes containing bidentate pyridine–alkoxide ligands for highly efficient oxidation of primary and secondary alcohols
Authors: Yue Xiaohui , Yan Xinlong , Huo Shuaicong , Dong Qing , Zhang Junhua , Hao Zhiqiang , Han Zhangang , Lin Jin
Published: November 2019

Reactions of substituted pyridylalkanol 6‐CH3PyCH2CH(OH)R (R = Ph (L1H), R = 4‐CH3C6H4 (L2H), R = 4‐OCH3C6H4 (L3H), R = 4‐ClC6H4 (L4H), R = 4‐BrC6H4 (L5H), R = 4‐CF3C6H4 (L6H)) with Ru3(CO)12 in refluxing tetrahydrofuran afforded the corresponding ruthenium carbonyl complexes [6‐CH3PyCH2CHRO]2Ru3(CO)8 (R = Ph (1a), R = 4‐CH3C6H4 (1b), R = 4‐OCH3C6H4 (1c), R = 4‐ClC6H4 (1d), R = 4‐BrC6H4 (1e), R = 4‐CF3C6H4 (1f)) in good yields. These ruthenium complexes were well characterized using elemental analysis and Fourier transform infrared and NMR spectroscopies. Furthermore, their crystal structures were determined using single‐crystal X‐ray diffraction analysis. Complexes 1a–1f were found to be highly active toward oxidation of a wide range of primary and secondary alcohols to corresponding aldehydes and ketones within 5 minutes in the presence of N‐methylmorpholine‐N‐oxide as oxidant.
Polyphosphazenes for the delivery of biopharmaceuticals
Authors: Hsu Wei‐Hsin , Csaba Noemi , Alexander Cameron , Garcia‐Fuentes Marcos
Published: November 2019

Polyphosphazenes (PPZs) are a relatively new family of polymers based on a nitrogen–phosphorous backbone where organic side groups can be grafted. The synthetic route to PPZs is highly versatile such that it is possible to add many different functionalities that change completely the physicochemical and biological properties of the polymers. For instance, PPZs can be designed with a variety of organic side groups that render these materials biodegradable and highly biocompatible. Based on these positive features, PPZs have been explored for many biomedical applications including the design of numerous advanced drug delivery systems. In this area, PPZs have been particularly investigated as materials for the formulation of biopharmaceuticals of high added value. These include protein‐ and polynucleotide‐based medicines, applications where PPZ carriers have obtained very positive results in preclinical models. A further area of major interest for PPZs has been vaccination, where these materials have obtained excellent results in vivo as polymer adjuvants and have advanced to clinical evaluation. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48688.
Psychotic symptoms in 16p11.2 copy‐number variant carriers
Authors: Jutla Amandeep , Turner J. Blake , Green Snyder LeeAnne , Chung Wendy K. , Veenstra‐VanderWeele Jeremy
Published: November 2019

16p11.2 copy‐number variation (CNV) is implicated in neurodevelopmental disorders, with the duplication and deletion associated with autism spectrum disorder (ASD) and the duplication associated with schizophrenia (SCZ). The 16p11.2 CNV may therefore provide insight into the relationship between ASD and SCZ, distinct disorders that co‐occur at an elevated rate, and are difficult to distinguish from each other and from common co‐occurring diagnoses such as obsessive compulsive disorder (OCD), itself a potential risk factor for SCZ. As psychotic symptoms are core to SCZ but distinct from ASD, we sought to examine their predictors in a population (n = 546) of 16p11.2 CNV carriers and their noncarrier siblings recruited by the Simons Variation in Individuals Project. We hypothesized that psychotic symptoms would be most common in duplication carriers followed by deletion carriers and noncarriers, that an ASD diagnosis would predict psychotic symptoms among CNV carriers, and that OCD symptoms would predict psychotic symptoms among all participants. Using data collected across multiple measures, we identified 19 participants with psychotic symptoms. Logistic regression models adjusting for biological sex, age, and IQ found that 16p11.2 duplication and ASD diagnosis predicted psychotic symptom presence. Our findings suggest that the association between 16p11.2 duplication and psychotic symptoms is independent of ASD diagnosis and that ASD diagnosis and psychotic symptoms may be associated in 16p11.2 CNV carriers. Autism Res 2020, 13: 187–198. © 2019 International Society for Autism Research, Wiley Periodicals, Inc.

Lay Summary

Either deletion or duplication at chromosome 16p11.2 raises the risk of autism spectrum disorder, and duplication, but not deletion, has been reported in schizophrenia (SCZ). In a sample of 16p11.2 deletion and duplication carriers, we found that having the duplication or having an autism diagnosis may increase the risk of psychosis, a key feature of SCZ.
Simulative Erdbebenschadensmodellierung auf Grundlage der EMS‐98 – Realitätsnähe und Prognosetauglichkeit
Authors: Maiwald Holger , Schwarz Jochen
Published: November 2019

International liegen verschiedene Schadensmodelle vor, um die strukturelle Schädigung des Bauwerksbestands und die daraus resultierenden Verluste infolge Erdbebeneinwirkung zu quantifizieren. Die Anwendung der verschiedenen Schadensfunktionstypen für eine realitätsnahe Ermittlung der Schäden setzt eine detaillierte Kenntnis des Bauwerksbestands und seiner Verletzbarkeit sowie der standortspezifischen Untergrundbedingungen voraus. Das am Zentrum für die Ingenieuranalyse von Erdbebenschäden der Bauhaus‐Universität Weimar im Rahmen des Deutschen Forschungsnetzes Naturkatastrophen (DFNK) entwickelte intensitätsbasierte Schadensmodell für die allgemeine Bebauung wurde an den gemeldeten Verlusten des Albstadt‐Erdbebens von 1978 validiert. Eine Betrachtung der Streubreiten und Unsicherheiten in der Verteilung der Schadensgrade Di sowie die Spiegelung an vergleichbaren Schadensmodellen stand bisher noch aus. Die Re‐Evaluation der untersuchten Modellansätze erfolgt im Beitrag an den durch unterschiedliche Standortintensitäten gekennzeichneten Erdbebenereignissen (Albstadt 1978, L'Aquila 2009) anhand der real aufgetretenen Bauwerksschäden. Im Rückblick auf die DFNK‐Studie werden die Ergebnisse für den Großstadtraum Köln nochmals mit neuen Bauwerksdaten und dem erweiterten Schadensmodell überprüft. Die im DFNK aggregiert beschriebene Bauwerksverletzbarkeit wird auf den Einzelbauwerksbestand übertragen und der Einfluss auf die Erdbebenszenarien untersucht. Die Streuung der strukturellen Schäden und der Verluste wird durch Monte‐Carlo‐Simulationen berücksichtigt. Die Veränderungen der Ergebnisse gegenüber der DFNK‐Studie werden ausgewiesen und diskutiert.
Effects of mineral oil spray additives on the distribution and dissipation kinetics of pyraclostrobin and azoxystrobin in banana leaves, fruits, and soil
Authors: Long Xiaofang , Wang Niao , Song Qingmei , Wang Ye , Chen Lingzhu , Hu Deyu , Zhang Yuping
Published: November 2019

Using LC–MS/MS, a rapid and sensitive method for the simultaneous determination of pyraclostrobin and azoxystrobin residues in banana matrices (leaf and whole banana) and soil was established. The samples were extracted using acetonitrile and purified through C18 dispersive solid‐phase extraction. The average recovery of the analytes in various matrices was in the range of 77.3%–103.9% with an RSD range of 0.9%–9.5%. The initial deposition amounts of pyraclostrobin and azoxystrobin at 2 h in the banana leaves of the mineral oil group were 1.43 and 1.31 times in Guangxi, and 2.10 and 1.81 times in Hainan for the water group, whereas those in the soil of the water group were 3.45 and 3.03 times in Guangxi, and 2.14 and 3.48 times in Hainan for the mineral oil group. The half‐lives in the leaves and soil of the mineral oil group were not remarkably different from those of the water group. The terminal residue of the analytes on the whole banana was <0.02 mg/kg at 14 days after application from the two sites. The results of this work may indicate and promote the safety of using pyraclostrobin and azoxystrobin in banana production, especially with mineral oil spray adjuvants.
A network‐based predictive gene expression signature for recurrence risks in stage II colorectal cancer
Authors: Yang Wen‐Jing , Wang Hai‐Bo , Wang Wen‐Da , Bai Peng‐Yu , Lu Hong‐Xia , Sun Chang‐He , Liu Zi‐Shen , Guan Ding‐Kun , Yang Guo‐Wang , Zhang Gan‐Lin
Published: November 2019

The current criteria for defining the recurrence risks of stage II colorectal cancer (CRC) are not robust; therefore, we aimed to explore novel gene signatures to predict recurrence risks and to reveal the underlying mechanisms of stage II CRC. First, the gene expression profiles of 124 patients with stage II CRC from The Cancer Genome Atlas (TCGA) database were obtained to screen differentially expressed genes (DEGs). A total of 202 DEGs, including 128 upregulated and 74 downregulated, were identified in the recurrence group (n = 24) compared to the nonrecurrence group (n = 100). Furthermore, the top 5 DEGs (ZNF561, WFS1, SLC2A1, MFI2, and PTGR1) were identified by random forest variable hunting, and four (ZNF561, WFS1, SLC2A1, and PTGR1) were selected to create a four‐gene recurrent model (GRM), with an area under the curve (AUC) of 0.882 according to the receiver operating characteristic curve, and the robust diagnostic effectiveness of the GRM was further validated with another gene expression profiling dataset (GSE12032), with an AUC of 0.943. The diagnostic effectiveness of the GRM regarding recurrence was associated with poor disease‐free survival in all stages of CRC. In addition, gene ontology functional annotation and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses revealed 18 enriched functions and 6 enriched pathways. Four genes, ABCG2, CACNA1F, CYP19A1, and TF, were identified as hub genes by the protein‐protein interaction network, which further validated that these genes were correlated with a poor pathologic stage and overall survival in all stages of CRC. In conclusion, the GRM can effectively classify stage II CRC into groups of high and low risks of recurrence, thereby making up for the prognostic value of the traditional clinicopathological risk factors defined by the National Comprehensive Cancer Network guidelines. The hub genes may be useful therapeutic targets for recurrence. Thus, the GRM and hub genes could offer clinical value in directing individualized and precision therapeutic regimens for stage II CRC patients.
Lowering Interfacial Dissolved Gas Concentration for Highly Efficient Hydrazine Oxidation at Platinum by Fluorosurfactant Modulation
Authors: Zhao Xu , Ranaweera Ruchiranga , Mixdorf Jason C. , Nguyen Hien M. , Luo Long
Published: November 2019

Regulating the dissolved‐gas concentration at the electrode‐solution interface represents a promising universal strategy to achieve high efficiency towards gas evolution reactions. Here, we present a facile method to modulate the interfacial dissolved‐gas concentration using cationic fluorinated pyridinium sulfonate (CFPS) for highly efficient hydrazine oxidation (HzOR). We found that the interfacial dissolved‐nitrogen concentration was effectively lowered by the cationic surfactant CFPS, while CFPS still ensured a sufficient exposure of the active sites during the HzOR. As a result, relative to pure Pt, the CFPS‐modulated Pt exhibited a 2.1‐fold higher current density and a lower overpotential for HzOR. This work presents a new avenue to achieve highly efficient hydrazine oxidation through regulating the interfacial gas concentration.
Macromolecular Isomerism in Giant Molecules
Authors: Shao Yu , Yang Shuguang , Zhang Wen‐Bin
Published: November 2019

Macromolecular isomerism has been an important yet largely understudied subject. Giant molecules based on molecular nanoparticles exhibit properties highly dependent on the primary structures, providing a platform for such studies. Various isomers have been designed, synthesized and characterized, including sequence‐, regio‐, and topo‐isomers. The self‐assembly of these isomers is influenced by the distinct symmetry and collective interaction of each building block in a subtle and delicate way. The results suggest that isomerism may be exploited as a new way for fine‐tuning the structures and properties of macromolecules, which should be of great interest in both fundamental research and technical innovation.
Tracking Hidden Binding Pockets Along the Molecular Recognition Path of l‐Trp to Indoleamine 2,3‐Dioxygenase 1
Authors: Greco Francesco A. , Albini Elisa , Coletti Alice , Dolciami Daniela , Carotti Andrea , Orabona Ciriana , Grohmann Ursula , Macchiarulo Antonio
Published: November 2019

Indoleamine 2,3‐dioxygenase 1 (IDO1) catalyzes the oxidative cleavage of l‐Tryptophan (l‐Trp) to yield N‐formyl‐kynurenine in the first and rate limiting step of the kynurenine pathway. Bioactive metabolites, involved in the regulation of important immunological responses and neurological processes, are then produced by downstream enzymes along the pathway. Inhibitors of IDO1 are being designed and developed as therapeutic agents for immuno‐oncology. In this work, we investigated the molecular recognition path of l‐Trp to IDO1, integrating biophysical methods with supervised molecular dynamics (suMD) and mutagenesis experiments. Results allowed disclosing for the first time high and low dissociation constants of l‐Trp to IDO1, and the presence of a metastable interaction site located at the upper part of a channel whose borders are defined by the EF‐loop and the C‐terminal part of the JK‐loop. Collectively, our results provide new clues for the design of next‐generation IDO1 ligands.
The 12th AFMC International Medicinal Chemistry Symposium (AIMECS 2019) in Istanbul, Turkey
Authors: Olgac Abdurrahman , Yalcin Ismail , Aki‐Yalcin Esin
Published: November 2019

AFMC‐AIMECS meetings are internationally organized biannually by the Asian Federation for Medicinal Chemistry (AFMC) and are focused on recent studies in drug discovery and development both in academia and industry. Member organizations of the AFMC are the Pharmaceutical Society of Japan, the Chinese Pharmaceutical Association, the Royal Australian Chemical Institute, the Pharmaceutical Society of Korea, the Korean Chemical Society, the Chemical Society Located in Taipei, the Indonesian Society of Medicinal Chemistry, the Medicinal Chemistry Section of the Israel Chemical Society, and the Computer‐Aided Drug Design & Development Society in Turkey. Each time, the symposium is organized within these member countries. The AIMECS 2019 symposium was held in Turkey this year, as Prof. Dr. Esin Aki‐Yalcin is the current president of the AFMC (2018–2020); the next AIMECS meeting will be organized in 2021 in Tokyo, Japan. In this report, we discuss key topics at the 12th AFMC International Medicinal Chemistry Symposium — New Avenues for Design and Development of Translational Medicine (AIMECS 2019) held in Istanbul, September 8–11, 2019.
A level‐set method for the evolution of cells and tissue during curvature‐controlled growth
Authors: Alias Mohd Almie , Buenzli Pascal R
Published: November 2019

Most biological tissues grow by the synthesis of new material close to the tissue's interface, where spatial interactions can exert strong geometric influences on the local rate of growth. These geometric influences may be mechanistic or cell behavioural in nature. The control of geometry on tissue growth has been evidenced in many in vivo and in vitro experiments, including bone remodelling, wound healing, and tissue engineering scaffolds. In this paper, we propose a generalisation of a mathematical model that captures the mechanistic influence of curvature on the joint evolution of cell density and tissue shape during tissue growth. This generalisation allows us to simulate abrupt topological changes such as tissue fragmentation and tissue fusion, as well as three dimensional cases, through a level‐set‐based method. The level‐set method developed introduces another Eulerian field than the level‐set function. This additional field represents the surface density of tissue‐synthesising cells, anticipated at future locations of the interface. Numerical tests performed with this level‐set‐based method show that numerical conservation of cells is a good indicator of simulation accuracy, particularly when cusps develop in the tissue's interface. We apply this new model to several situations of curvature‐controlled tissue evolutions that include fragmentation and fusion.
Bioequivalence and Food Effect Assessment of 2 Fixed‐Dose Combination Formulations of Dolutegravir and Lamivudine
Authors: Dumitrescu Teodora Pene , Peddiraju Kavita , Fu Caifeng , Bakshi Kalpana , Yu Shui , Zhang Zhiping , Tenorio Allan R. , Spancake Chris , Joshi Shashidhar , Wolstenholme Allen , Adkison Kimberly
Published: November 2019

This single‐dose study evaluated the bioequivalence, food effect, and safety of 2 experimental, 2‐drug, fixed‐dose formulations of 50 mg dolutegravir and 300 mg lamivudine (formulation AH and formulation AK) as compared with coadministration of single‐entity tablets of 50 mg dolutegravir and 300 mg lamivudine (reference). In fasted subjects, formulation AH lamivudine exposure was similar to the reference; however, dolutegravir exposure was consistently higher in formulation AH, with area under the concentration‐time curve (AUC) and maximum concentration (Cmax) approximately 27% to 28% greater than reference. Formulation AK met bioequivalence standards to the reference for dolutegravir (AUC0‐∞ and Cmax) and lamivudine (AUC0‐∞ and AUC0‐t) exposure; however, dolutegravir AUC0‐t and lamivudine Cmax were approximately 16% and 32% higher than the reference, respectively. A high‐fat meal increased dolutegravir AUC and Cmax by up to 33% and 21%, respectively, and decreased lamivudine Cmax by approximately 30%. Both test and reference formulations were well tolerated. The results support further development of formulation AK as a novel, 2‐drug, fixed‐dose combination tablet treatment for patients with HIV.
Administration study of recombinant human relaxin‐2 in horse for doping control purpose
Authors: Kwok Wai Him , Choi Timmy L.S. , Leung Gary N.W. , Wong April S.Y. , Yue Samuel K. , Wan Terence S.M. , Ho Emmie N.M.
Published: November 2019

The insulin‐like peptide relaxin (RLX), an endogenous peptide hormone produced in human for pregnancy and reproduction, is also known to exert a range of physiological and pathological effects. Its use is banned in human sports, horseracing, and equestrian competitions due to its potential performance enhancing effect through vasodilation resulting in the increase of blood and oxygen supplies to muscles. Little is known about the biotransformation and elimination of RLX in horses. This paper describes an administration study of rhRLX‐2 and its elimination in horses, and the development of sensitive methods for the detection and confirmation of rhRLX‐2 in both horse plasma and urine by nano‐liquid chromatography/high resolution mass spectrometry (nano‐LC/HRMS) after immunoaffinity extraction with the objective of controlling the abuse of rhRLX‐2 in horses. The limits of detection in plasma and urine are 2 pg/mL and 5 pg/mL, respectively. Two thoroughbred geldings were each administered one dose of 10 mg rhRLX‐2 subcutaneously daily for 3 consecutive days. The rhRLX‐2 could be detected and confirmed in the plasma and urine samples collected 105 h and 80 h, respectively, after the last dose of administration. For doping control purposes, rhRLX‐2 ELISA could be used as a screening test to identify potential positive samples for further investigation using the nano‐LC/HRMS methods.
At what spatial scales are alternative stable states relevant in highly interconnected ecosystems?
Authors: Karatayev Vadim A. , Baskett Marissa L.
Published: November 2019

Whether ecosystems recover from disturbance depends on the presence of alternative stable states, which are theoretically possible in simple models of many systems. However, definitive empirical evidence for this phenomenon remains limited to demographically closed ecosystems such as lakes. In more interconnected systems such as temperate rocky reefs, the local relevance of alternative stable states might erode as immigration overwhelms local feedbacks and produces a single stable state. At larger spatial scales, dispersal might counter localized disturbance and feedbacks to synchronize states throughout a region. Here, we quantify how interconnectedness affects the relevance of alternative stable states using dynamical models of California rocky reef communities that incorporate observed environmental stochasticity and feedback loops in kelp–urchin–predator interactions. Our models demonstrate the potential for localized alternative states despite high interconnectedness likely due to feedbacks affecting dispersers as they settle into local communities. Regionally, such feedbacks affecting settlement can produce a mosaic of alternative stable states that span local (10–20 km) scales despite the synchronizing effect of long‐distance dispersal. The specific spatial scale and duration of each state predominantly depend on the scales of environmental variation and on local dynamics (here, fishing). Model predictions reflect observed scales of community states in California rocky reefs and suggest how alternative states co‐occur in the wide array of marine and terrestrial systems with settlement feedbacks.
Toxicity in Neonicotinoids to Folsomia candida and Eisenia andrei
Authors: de Lima e Silva Cláudia , de Rooij Winona , Verweij Rudo A. , van Gestel Cornelis A.M.
Published: November 2019

We compared the toxicity of the neonicotinoids imidacloprid, thiacloprid, thiamethoxam, acetamiprid, and clothianidin in terms of the survival and reproduction of 2 species of soil invertebrates, Folsomia candida and Eisenia andrei. Tests were performed using LUFA 2.2 natural soil, following standard protocols aimed at answering 2 questions: 1) Is there a difference in the toxicity between pure compound and its formulation? and 2) Is there a difference in the sensitivity of the species exposed to the same compound? For E. andrei, formulations and pure compounds had similar toxicity to both endpoints tested. For F. candida, acetamiprid and imidacloprid had different toxicities, with acetamiprid being 4 times more toxic to survival (median lethal concentration [LC50] 0.12 mg active substance [a.s.]/kg dry soil) and imidacloprid being 4 times more toxic to reproduction of the springtail (median effect concentration [EC50] 0.25 mg a.s./kg dry soil) than their commercial formulations. The most toxic compound to E. andrei was acetamiprid (LC50 0.80 and EC50 0.35–0.40 mg a.s./kg), and the most toxic to F. candida was clothianidin (LC50 0.07 and EC50 0.05 mg a.s./kg). Estimated risk ratios indicated that only one application/yr of clothianidin in the formulation Poncho® may pose a threat to the populations of springtails and earthworms. Environ Toxicol Chem 2020;39:548–555. © 2019 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC.
Effect of Lactobacillus gasseri PA3 on gut microbiota in an in vitro colonic simulation
Authors: Xiang Shasha , Fu Jian , Ye Kun , Zheng Yiqing , Zhu Xuan , Chen Jie , Chen Yuewen
Published: November 2019

It has been reported that Lactobacillus gasseri PA3 has an ability to absorb exogenous purines in the intestine to reduce a risk of gout and hyperuricemia. However, influences of this strain on gut microbiota and their metabolisms remain unclear. Herein, we aimed to investigate the effect of L. gasseri PA3 on microbiota composition and metabolisms. L. gasseri PA3 was isolated from yogurt and supplemented into a single‐stage colonic fermentation in a culture volume of 30 ml and subjected to in vitro colonic simulation for 8 days. Microbiota composition was determined with 16S rRNA (V3 + V4) sequencing, and their metabolisms were predicted by PICRUSt. Short‐chain fatty acids were measured by GC‐MS. We found that L. gasseri PA3 reduced the diversity of microbiota, increased the relative abundances of Lactobacillus (73.5%) and Escherichia (36.5%), and decreased Bacterioides and Phascolarctobacterium. Total amount of short‐chain fatty acids was found to decline. Fundamental metabolisms, especially nucleotide, was significantly higher after intervention with L. gasseri PA3, but the purine metabolism was lower, which means that PA3 might reduce uric acid concentrations by weakening purine metabolism. Our results indicated that L. gasseri PA3 can survive and play a role in the ascending colon environment. Therefore, the evaluation of the effect of L. gasseri PA3 on intestinal microbes and their metabolisms has great guiding significance for the development of treatment to prevent gout.
Informed options trading on the implied volatility surface: A cross‐sectional approach
Authors: Kim Baeho , Kim Da‐Hea , Park Haehean
Published: November 2019

This study investigates the cross‐sectional implication of informed options trading across different strikes and maturities. We explore the term structure perspective of the one‐way information transmission from options markets to stock markets by adopting well‐known option‐implied volatility measures to examine stock return predictability. Using equity options data for U.S. listed stocks spanning 2000–2013, we find that the shape of the long‐term implied volatility curve exhibits extra predictive power for stock returns of subsequent months even after orthogonalizing the short‐term components. Our findings indicate that the inter‐market information asymmetry rapidly disappears before the expiration of long‐term option contracts.
A numerical study on the non‐isothermal flow characteristics and hydrate risk of CO2 in buried transmission pipelines under the gas‐phase transportation mode
Authors: Liu Wenyuan , Hu Jinqiu , Sun Fengrui , Sun Zheng , Li Xiangfang
Published: November 2019

With the development and progress of carbon dioxide (CO2) capture and storage technology, the study of the flow assurance of CO2 in transmission pipelines needs to be further deepened. In this study, aiming at the gas‐phase transportation mode of CO2, first, a new prediction model of temperature, pressure as well as hydrate formation risk in buried CO2 transmission pipelines is established. Second, the model solving methods of differential discretization and piecewise iteration are introduced in detail. Third, model validation and sensitivity analysis of typical transmission parameters are performed. The results show that: (a) there is good agreement between the model prediction results and software simulation results. (b) The subcooling and the length of the hydrate formation region increase with the increase in the transmission rate. Appropriate increase in the CO2 transmission rate can reduce the risk of hydrate formation in CO2 transmission pipelines. (c) The subcooling and the length of the hydrate formation region decrease as the transmission temperature increases. In order to prevent hydrate risk in the CO2 transmission process, low transmission temperatures should be avoided. (d) The subcooling and the length of the hydrate‐formation area increase first and then decrease as the transmission pressure increases. Appropriate increase in CO2 transmission pressure is conducive to avoiding hydrate formation risk. This study provides basic theoretical guidance for optimizing transmission parameters and risk assessment of hydrate formation in CO2 transmission pipelines. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd.
Prediction of energy‐related CO2 emissions in multiple scenarios using a least square support vector machine optimized by improved bat algorithm: a case study of China
Authors: Wu Qunli , Meng Fanxing
Published: November 2019

At present, China has the world's highest CO2 emissions. The reduction of China's CO2 emissions will have a direct effect on the world. Considering that CO2 emissions mainly come from the burning of fossil fuel, it is of great significance to accurately calculate and forecast China's energy‐related CO2 emissions. To improve the prediction accuracy of CO2 emissions, this paper proposed a new prediction model, which combines t‐distribution, Gaussian perturbations bat algorithm, and a least squares support vector machine, namely the TBAG‐LSSVM model. Furthermore, in order to ensure the rationality of factor selection, a stationary test, cointegration test, and Granger causality test were utilized to analyze factors affecting CO2 emissions. Through an empirical test, it was found that the proposed model has higher accuracy than LSSVM, BA‐LSSVM, WOA‐LSSVM, ELM, and BPNN. Therefore, three scenarios were put into the model to predict China's CO2 emissions up to 2030. The results indicate that CO2 emissions in 2030 will be 12 853.18, 11 378.27, and 12 008.19 million tons. According to the simulation results, industrial restructuring and the elimination of outdated production capacity should be pushed forward continuously to ensure that the Chinese government achieves emission reduction targets. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd.
An ensialic volcanic arc along the northwestern edge of Palaeotethys—Insights from the Mid‐Triassic volcano‐sedimentary succession of Ivanščica Mt. (northwestern Croatia)
Authors: Slovenec Damir , Šegvić Branimir , Halamić Josip , Goričan Špela , Zanoni Giovanni
Published: November 2019

This work aims to unveil the origin, geodynamic significance, and diagenetic history of pyroclastites and associated chert documented within the Upper Anisian volcano‐sedimentary succession of the Ivanščica Mt. in Central Europe. An abundance of pyroclastic material points to polyphase volcanic activity and deep‐water sedimentation along the rim of an oceanic realm. Radiolarian‐based dating revealed Illyrian age of chert intercalated with pyroclastites. The latter are largely vitro‐crystalloclastic and were emplaced as airborne tuff. The crystalloclasts of sanidine, plagioclase, altered pyroxene, and amphibole are principal tuff constituents merged in the altered glassy matrix consisted of palagonite, clay minerals, and calcite. Variations in alteration assemblages reflect an extensive in situ eogenesis in an open hydrologic system that gradually evolved toward a restricted fluid percolation environment. Mineralogy, chemistry, and occurrence of andesitic tuff clearly denote an explosive volcanic activity formed at the top of suprasubduction zone. Such scenario presumes a complex genesis outlined in following steps: (a) partial melting and dehydration of down‐going Palaeotethyan slab which gave rise to the subduction‐related magmatism {LILE, Th, and LREE [(La/Lu)cn = 6.51−9.42] enrichment; negative anomalies of Nb‐Ta, P, and Ti [e.g., (Nb/La)n = 0.31−0.44]}; (b) magma contamination via interaction with continental crust during magma uplift along tectonically weakened zones of upper crust [positive Pb spikes, negative εNd (−4.18 to −4.44), and 147Sm/144Nd ≤ 0.113175]. This is in favour of geodynamic evolution that hypothesizes the existence of an active, ensialic, and mature volcanic arc developed along the southern active continental margins of Euramerica (Laurussia) during Late Anisian subduction of Palaeotethyan lithosphere.
Sox9 overexpression exerts multiple stage‐dependent effects on mouse spinal cord development
Authors: Vogel Julia K. , Weider Matthias , Engler Lisa A. , Hillgärtner Simone , Schmitt Christian , Hermans‐Borgmeyer Irm , Wegner Michael
Published: November 2019

The high‐mobility‐group (HMG)‐domain protein Sox9 is one of few transcription factors implicated in gliogenesis in the vertebrate central nervous system. To further study the role of Sox9 in early spinal cord development, we generated a mouse that allows expression of Sox9 in a temporally and spatially controlled manner. Using this mouse, we show that premature Sox9 expression in neural precursor cells disrupted the neuroepithelium of the ventricular zone. Sox9 also compromised development and survival of neuronal precursors and neurons. Additionally, we observed in these mice substantial increases in oligodendroglial and astroglial cells. Reversing the normal order of appearance of essential transcriptional regulators during oligodendrogenesis, Sox10 preceded Olig2. Our study reinforces the notion that Sox9 has a strong gliogenic activity. It also argues that Sox9 expression has to be tightly controlled to prevent negative effects on early spinal cord structure and neuronal development.
Rational choice of neck dissection in clinically N0 patients with supraglottic cancer
Authors: Zhang Ye , Xu Siyuan , Liu Wensheng , Wang Xiaolei , Wang Kai , Liu Shaoyan , Xu Zhengang , Liu Jie
Published: November 2019

Background

The mainstay treatment of the neck for clinically negative neck (cN0) supraglottic laryngeal carcinoma (SGLC) is neck dissection. However, the optimal extent remains controversial. This study's purpose is to determine whether ipsilateral level II‐III neck dissection is appropriate for cN0SGLC patients.

Methods

The records of 220 consecutive untreated cN0SGLC patients were retrospectively reviewed. Relevant factors related to occult and contralateral neck metastasis were analyzed and the distribution of metastasis was described.

Results

Seventy‐seven and 143 patients underwent unilateral and bilateral neck dissection, respectively. The rate of occult neck metastases was 21.4%. The histologic differentiation was an independent risk factor for occult neck metastasis. In the bilateral neck dissection group, the incidence of contralateral neck metastasis of patients with noncentral tumors was 0.7%. Moreover, only 1.7% of patients had positive nodes at level IV, and no isolated nodal metastases existed in level IV.

Conclusion

Ipsilateral level II‐III neck dissection is feasible for patients with noncentral cN0SGLC.
Creating Healthy Universities: The role of campus‐based health promotion events in supporting student well‐being
Authors: Saheb Rowena , Mortimer Taylor , Rutherford Erin , Sperandei Sandro , Reis Arianne
Published: November 2019

Issue addressed

University students have been increasingly recognised as a population with a high prevalence of mental ill health, with research suggesting that psychological distress is higher among tertiary education students than nonstudents. The purpose of this study was to assess students' perceptions of the effectiveness of student‐led, campus‐based mental health promotion events on their well‐being.

Methods

The cross‐sectional study included six campus‐based events, and collected data from 700 university students using a survey tool that included quantitative and qualitative measures. A multivariate logistic regression model was developed to investigate the association among explanatory variables and the response variable. A log‐likelihood ratio test was used to assess the goodness of fitness of the final model. Qualitative data were thematically analysed.

Results

Results showed that the majority of students (84%) agreed the event promoted and supported student well‐being, with three variables being statistically related to this agreement: (a) respondents' decision to spend more time on campus due to the event; (b) how respondents felt about receiving health information from student peers; and (c) the number of activities in which they took part.

Conclusions

Our findings suggest that campus‐based mental health promotion events need to be designed with emphasis on activities that attract, retain and educate students about mental health, and are delivered with the benefits of peer‐to‐peer health promotion in mind, in order to reach their full potential in supporting improved student mental health.

So what?

The findings highlight the opportunities that can be created by university events to promote and support student mental health by building peer relationships and creating a sense of community.
High‐performance dynamic magnetic resonance image reconstruction and synthesis employing deep feature learning convolutional networks
Authors: Jeyaraj Pandia Rajan , Nadar Edward Rajan Samuel
Published: November 2019

This research paper shows an effective deformable complex 3D image reconstruction and image synthesis technique by consolidating needed high‐level features from convolutional Neural Network (CNN) system. By recognize inherent deep feature representations in image patches for morphological changes in medicinal imaging information discovery. Various performance measurements, High Frequency Error Norm (HFEN), Mean Squared Error MSE, peak Signal‐to‐noise‐ratio (PSNR), Structural Similarity Index (SSI), are utilized to inspect different dataset. As presented in the paper outcomes, the proposed method can accomplish predominant performance compared with other cutting‐edge techniques with either low or high‐level features in terms of the synthesis and reconstruction rate. The proposed deep learning algorithm has a training time of 5 seconds with 0.97 SSI and 0.15 HFEN. In all investigations, the outcome shows that the proposed image synthesis and reconstruction framework reliably exhibited progressively precise outcomes when contrasted with best in class.
A biophotonic approach to measure pH in small volumes in vitro: Quantifiable differences in metabolic flux around the cumulus‐oocyte‐complex (COC)
Authors: McLennan Hanna J. , Saini Avishkar , Sylvia Georgina M. , Schartner Erik P. , Dunning Kylie R. , Purdey Malcolm S. , Monro Tanya M. , Abell Andrew D. , Thompson Jeremy G.
Published: November 2019

Unfertilised eggs (oocytes) release chemical biomarkers into the medium surrounding them. This provides an opportunity to monitor cell health and development during assisted reproductive processes if detected in a non‐invasive manner. Here we report the measurement of pH using an optical fibre probe, OFP1, in 5 μL drops of culture medium containing single mouse cumulus oocyte complexes (COCs). This allowed for the detection of statistically significant differences in pH between COCs in culture medium with no additives and those incubated with either a chemical (cobalt chloride) or hormonal treatment (follicle stimulating hormone); both of which serve to induce the release of lactic acid into the medium immediately surrounding the COC. Importantly, OFP1 was shown to be cell‐safe with no inherent cell toxicity or light‐induced phototoxicity indicated by negative DNA damage staining. Pre‐measurement photobleaching of the probe reduced fluorescence signal variability, providing improved measurement precision (0.01‐0.05 pH units) compared to previous studies. This optical technology presents a promising platform for the measurement of pH and the detection of other extracellular biomarkers to assess cell health during assisted reproduction.
Therapeutic approaches in hypertriglyceridemia‐induced acute pancreatitis: A literature review of available therapies and case series
Authors: Joury Abdulaziz , Alshehri Mona , Mahendra Arjun , Anteet Mahmoud , Yousef Mohammad A. , Khan Abdul M.
Published: November 2019

Hypertriglyceridemia‐induced acute pancreatitis (HGAP) is the third most common etiology of acute pancreatitis. HGAP can be attributed to genetic disturbances in triglyceride metabolism or multiple secondary causes. Here, we presented three cases for HGAP and explored different therapeutic approaches for treating HGAP. A case series of three patients who presented with HGAP and underwent different therapeutic approaches was conducted. The first patient was a 37‐year‐old male who presented with nonsevere HGAP; he was treated with conservative therapy with insulin and heparin infusion, which resulted in clinical and laboratory improvement. The second patient was a 64‐year‐old male with human immunodeficiency virus on multiple highly active antiretroviral therapy. He presented with severe HGAP and multiorgan failure. After initiation of therapeutic plasma exchange, his HGAP resolved. The third patient was a 28‐year‐old male who presented with recurrent episodes of HGAP; his conservative therapy failed and was eventually escalated to therapeutic plasma exchange (TPE). HGAP can be attributed to genetic disturbances of lipid or secondary etiologies. A nonsevere form of HGAP can be managed with conventional therapy including insulin and heparin; however, severe HGAP may require TPE.
Ras inhibits TGF‐β‐induced KLF5 acetylation and transcriptional complex assembly via regulating SMAD2/3 phosphorylation in epithelial cells
Authors: Guo Peng , Xing Changsheng , Fu Xiaoying , He Dalin , Dong Jin‐Tang
Published: November 2019

Acetylated Kruppel‐like factor 5 (KLF5) is essential for transforming growth factor‐β (TGF‐β) to properly regulate gene transcription in the inhibition of cell proliferation and tumor growth. Ras oncogenic signaling can convert TGF‐β from a tumor suppressor to a tumor promoter; however, its ability to utilize the KLF5 transcription factor to modulate TGF‐β functions is still unknown. Therefore, in this study, we sought to determine whether Ras signaling altered TGF‐β‐induced KLF5 acetylation and the assembly of the p300‐KLF5‐SMADs transcriptional complex in gene regulation. Not only did we determine that Ras signaling inhibited TGF‐β‐induced KLF5 acetylation and interfered with TGF‐β function in p15 induction and Myc repression, but also TGF‐β‐induced SMAD3 C‐terminal region phosphorylation was necessary for TGF‐β to induce KLF5 acetylation. Moreover, Ras activation further interrupted the interactions amongst p300, KLF5, and SMAD4, as well as the binding of p300‐KLF5‐SMADs complex onto the TGF‐β‐responsive promoter elements for both p15 and Myc. These findings suggested that KLF5 mediated the crosstalk between TGF‐β and Ras signaling, and that suppression of TGF‐β‐induced KLF5 acetylation by Ras activation; this altered TGF‐β‐induced assembly of p300‐KLF5‐SMADs complex onto gene promoters to convert the function of TGF‐β in gene regulation.