bluuebunny/crossref_metadata_2025 huggingface dataset:
Dual Gold/Silver Catalysis Involving Alkynylgold(III) Intermediates Formed by Oxidative Addition and Silver‐Catalyzed C−H Activation for the Direct Alkynylation of Cyclopropenes
Authors: Yang Yangyang , Antoni Patrick , Zimmer Marc , Sekine Kohei , Mulks Florian F. , Hu Long , Zhang Lumin , Rudolph Matthias , Rominger Frank , Hashmi A. Stephen K.
Published: January 2019

While gold‐mediated synergistic catalytic processes involving transmetalations with other metals are well understood, AuI/AuIII cycles in these reactions are rarely reported. Herein a gold‐catalyzed direct alkynylation of cyclopropenes is enabled by two operating catalytic cycles, an oxidative catalytic cycle involving an alkynyl AuIII complex formed by oxidative addition and one involving a silver‐mediated C−H activation.
Extending the Lifetime of Native GTP‐Bound Ras for Site‐Resolved NMR Measurements: Quantifying the Allosteric Dynamics
Authors: Chen Xiaomin , Yao Haijie , Wang Hui , Mao Yunyun , Liu Dan , Long Dong
Published: January 2019

Characterization of native GTP‐bound Ras is important for an appreciation of its cellular signaling and for the design of inhibitors, which however has been depressed by its intrinsic instability. Herein, an effective approach for extending the lifetime of Ras⋅GTP samples by exploiting the active role of Son of Sevenless (Sos) is demonstrated that sustains the activated state of Ras. This approach, combined with a postprocessing method that suppresses residual Ras⋅GDP signals, is applied to the site‐resolved NMR measurement of the allosteric dynamics of Ras⋅GTP. The observed network of concerted motions well covers the recently identified allosteric inhibitor‐binding pockets, but the motions are more confined than those of Ras⋅GppNHp, advocating the use of native GTP for development of allosteric inhibitors. The Sos‐based approach is anticipated to generally facilitate experiments on active Ras when native GTP is preferred.
Secondary‐Ion Mass Spectrometry Images Cardiolipins and Phosphatidylethanolamines at the Subcellular Level
Authors: Tian Hua , Sparvero Louis J. , Blenkinsopp Paul , Amoscato Andrew A. , Watkins Simon C. , Bayır Hülya , Kagan Valerian E. , Winograd Nicholas
Published: January 2019

Millions of diverse molecules constituting the lipidome act as important signals within cells. Of these, cardiolipin (CL) and phosphatidylethanolamine (PE) participate in apoptosis and ferroptosis, respectively. Their subcellular distribution is largely unknown. Imaging mass spectrometry is capable of deciphering the spatial distribution of multiple lipids at subcellular levels. Here we report the development of a unique 70 keV gas‐cluster ion beam that consists of (CO2)n+(n>10 000) projectiles. Coupled with direct current beam buncher‐time‐of‐flight secondary‐ion mass spectrometry, it is optimized for sensitivity towards high‐mass species (up to m/z 3000) at high spatial resolution (1 μm). In combination with immunohistochemistry, phospholipids, including PE and CL, have been assessed in subcellular compartments of mouse hippocampal neuronal cells and rat brain tissue.
Site‐Resolved Cu2O Catalysis in the Oxidation of CO
Authors: Zhang Zhenhua , Wu Hong , Yu Zongyou , Song Rui , Qian Kun , Chen Xuanye , Tian Jie , Zhang Wenhua , Huang Weixin
Published: January 2019

The identification of the contribution of different surface sites to the catalytic activity of a catalyst nanoparticle is one of the most challenging issues in the fundamental studies of heterogeneous catalysis. We herein demonstrate an effective strategy of using a series of uniform cubic Cu2O nanocrystals with different sizes to identify the intrinsic activity and contributions of face and edge sites in the catalysis of CO oxidation by a combination of reaction kinetics analysis and DFT calculations. Cu2O nanocrystals undergo in situ surface oxidation forming CuO thin films during CO oxidation. As the average size of the cubic Cu2O nanocrystals decreases from 1029 nm to 34 nm, the dominant active sites contributing to the catalytic activity switch from face sites to edge sites. These results reveal the interplay between the intrinsic catalytic activity and the density of individual types of surface sites on a catalyst nanoparticle in determining their contributions to the catalytic activity.
Isolation and Synthesis of Novel Meroterpenoids from Rhodomyrtus tomentosa: Investigation of a Reactive Enetrione Intermediate
Authors: Qin Xu‐Jie , Rauwolf Tyler J. , Li Pan‐Pan , Liu Hui , McNeely James , Hua Yan , Liu Hai‐Yang , Porco John A.
Published: January 2019

Rhodomyrtusials A–C, the first examples of triketone‐sesquiterpene meroterpenoids featuring a unique 6/5/5/9/4 fused pentacyclic ring system were isolated from Rhodomyrtus tomentosa, along with several biogenetically‐related dihydropyran isomers. Two bis‐furans and one dihydropyran isomer showed acetylcholinesterase (AChE) inhibitory activity. Structures of the isolates were unambiguously established by a combination of spectroscopic data, ECD analysis, and total synthesis. Bioinspired total syntheses of six isolates were achieved in six steps utilizing a reactive enetrione intermediate generated in situ from a readily available hydroxy‐endoperoxide precursor.
The dynamic behaviour of a large‐scale 250‐mm hydrocyclone: A CFD study
Authors: Vakamalla Teja Reddy , Mangadoddy Narasimha
Published: January 2019

The fluctuating feed solid contents usually cause instationarities in industrial hydrocyclone separation. This demands a controlling mechanism for stabilizing the separation effect. Understanding the transitional/dynamic behaviour is necessary to design such control mechanisms. In this context, the present paper is aimed to understand the dynamic behaviour of a large‐scale 250‐mm hydrocyclone in terms of air core development and solid concentration distributions using the modified mixture model coupled with large eddy simulation turbulence model. Numerically predicted two‐phase flow field data is validated against laser Doppler velocimetry data at two axial positions. A close agreement is found between the modified mixture model predicted particle classification curve and experimental data. Longer residence time is observed with near cut size particle compared to the and fine size particles. Further, the analysis of the equilibrium radius of different solid particles inside the cyclone in the presence of turbulence is compared with the classical Kelsall experiments and observed that the classification of particles influenced by both the turbulent dispersion and the centrifugal force. Finally, the effect of feed solids concentration (10–50 wt%) on the hydrocyclone performance and particle segregation is also undertaken in this study.
Fluidizing effects of polymers with various anchoring groups in cement pastes and their sensitivity to environmental temperatures
Authors: Tian Hongwei , Kong Xiangming , Sun Jiangbo , Wang Dongmin , Huang Chunlong
Published: January 2019

We synthesized various polymers with different functional groups of ─COO−, ─SO3−, and ≡N+─ to study the impact of the environmental temperature (25, 50, and 80 °C) on the dispersing capability by measuring the fluidity of fresh cement paste, total organic carbon, ζ potential, and isothermal calorimetry. The results show that no adsorption was observed for the cement pastes containing acrylic acid, 2‐acrylamido‐2‐methyl propane sulfonic acid, and [3‐(methacryloylamino)propyl] trimethyl ammonium chloride, probably because of the trace amount of adsorption, whereas the fluidity of the pastes was indeed improved by the addition of these chemicals. Generally, for the polymers containing various functional groups, the adsorption capability was in the order ─COO− > ─SO3− > ≡N+─. The dispersing capability for the carboxylate superplasticizer was robust to the change in the temperature, whereas it was dramatically weakened by the increase in temperature for sulfonate superplasticizer, although the adsorption amount increased along with the temperature rise. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47494.
3‐[4′‐(Diethylboryl)phenyl]pyridine: Exclusive Crystallization of the Cyclic Tetramer
Authors: Wakabayashi Shigeharu , Sugiyama Natsu , Ohki Yasuhiro , Itoh Takahito , Kitagawa Toshikazu
Published: January 2019

The crystallization of 3‐[4′‐(diethylboryl)phenyl]pyridine (1), which formed a mixture of oligomers in solution with the cyclic trimer as a major component, in acetone at 0 °C afforded a cyclic tetramer that co‐crystallized with solvent molecules. Similarly, solutions of compound 1 in toluene at 10 °C and in benzene at 8 °C furnished the cyclic tetramer with the incorporation of toluene and benzene molecules, respectively, thus suggesting that the cyclic tetramer was the minor component. 13C CP/MAS NMR spectroscopy of precipitates of compound 1 suggested that precipitation from acetone and toluene each afforded mixtures of the cyclic trimer and the cyclic tetramer, whereas precipitation from benzene exclusively furnished the cyclic tetramer. Therefore, it appeared that crystallization readily shifted the equilibrium towards the cyclic tetramer in benzene. The thermodynamic parameters for the equilibrium between these two oligomers in [D6]benzene, as determined from a van′t Hoff plot, were ΔH°=−8.8 kcal mol−1 and ΔS°=−23.7 cal mol−1 K−1, which were coincident with previously reported calculations and observations.
Efficient Non‐doped Blue Fluorescent Organic Light‐Emitting Diodes Based on Anthracene–Triphenylethylene Derivatives
Authors: Liu Futong , Tao Yanchun , Li Jinyu , Liu Hui , He Xin , Du Chunya , Tang Xiangyang , Lu Ping
Published: January 2019

The development of efficient blue materials has been a continuous research topic in the field of organic light‐emitting diodes (OLEDs). In this paper, three aggregation‐induced emission enhancement active blue emitters, PIAnTPE, TPAAnTPE and CzAnTPE, are successfully synthesized by attaching a triphenylethylene unit and phenanthroimidazole/triphenylamine/carbazole moieties to the 9,10‐positions of anthracene, respectively. The three compounds exhibit good thermal stabilities, appropriate for the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energy levels and display high photoluminescence quantum yields (PLQYs) of 65, 70 and 46 % in the solid state. Non‐doped blue devices using PIAnTPE, TPAAnTPE and CzAnTPE as the emitting layers show good electroluminescent performances, with the maximum external quantum efficiencies (EQEs) of 4.46, 4.13 and 4.04 %, respectively. More importantly, EQEs of all the three devices can be still retained when the luminescence reaches 1000 cd m−2, exhibiting quite small efficiency roll‐offs in the non‐doped OLEDs.
Continuous‐discrete filters for bearings‐only underwater target tracking problems
Authors: Radhakrishnan Rahul , Bhaumik Shovan , Tomar Nutan Kumar
Published: January 2019

In this work, we develop a continuous‐discrete shifted Rayleigh filter (CD‐SRF) and a continuous‐discrete sparse‐grid Gauss‐Hermite filter (CD‐SGHF) for a real‐life passive underwater bearings‐only target tracking problem. The stochastic difference equation describing the process model is derived from its continuous equivalent using Ito‐Taylor expansion of order 1.5. The performance of the proposed filters is compared in terms of root mean square error (RMSE), track divergence and computational time. For a fair comparison, popular filters like the unscented Kalman filter (UKF), cubature Kalman filter (CKF) and Gauss–Hermite filter (GHF) are implemented. The effect of initial uncertainty, measurement noise covariance and sampling time on filtering accuracy is also studied. Finally, RMSEs of all the filters are evaluated in comparison with the Cramer–Rao lower bound (CRLB). From simulation results, it was observed that CD filters performed with higher accuracy than their discrete equivalents, with CD‐SRF proving to be the most accurate among all the filters.
Contralateral surgery in patients scheduled for total thyroidectomy with initial loss or absence of signal during neural monitoring
Authors: Sitges-Serra A , Gallego-Otaegui L , Fontané J , Trillo L , Lorente-Poch L , Sancho J
Published: January 2019

Background

Staged total thyroidectomy has been advised to prevent bilateral recurrent laryngeal nerve paralysis when loss of the signal from neural monitoring is observed after dissection of the initial thyroid lobe. This is supported by expert opinion but hard evidence is lacking. A lost signal can return during surgery or, even if it persists, its positive predictive value is only in the range 60–70 per cent. The aim of the present study was to investigate the clinical outcome of patients in whom total thyroidectomy was performed following loss of signal after dissection of the first thyroid lobe.

Methods

This was a prospective observational study of adult patients scheduled for neural monitoring during total thyroidectomy. The prevalence of first-side absence or loss of signal was recorded. The contralateral thyroid lobe was approached routinely. The vagus and recurrent laryngeal nerves on the first side were retested during and at the end of the contralateral procedure.

Results

Some 462 patients were included. Loss (32 patients) or initial absence (8) of signal at dissection of the first thyroid lobe was noted in 40 patients (8·7 per cent). Total thyroidectomy was completed in 29 patients, and a change of surgical strategy adopted in 11 patients with benign disease. At retesting, 15 of 37 initially silent nerves recovered electromyographic signal after a mean(s.d.) interval of 30(14) min. Postoperative vocal cord palsy/paresis was demonstrated in 24 of 40 patients. One patient developed a bilateral paresis that could be managed conservatively.

Conclusion

After an absence or loss of signal of the recurrent laryngeal nerve following dissection of the first thyroid lobe, contralateral thyroidectomy can be performed safely, avoiding the expense, psychological burden and potential complications of a second procedure.
Internal enhancement of DNA damage by a novel bispecific antibody‐drug conjugate‐like therapeutics via blockage of mTOR and PD‐L1 signal pathways in pancreatic cancer
Authors: Cao Rui , Song Wenping , Ye Cheng , Liu Xiujun , Li Liang , Li Yi , Yao Hongjuan , Zhou Xiaofei , Li Liang , Shao Rongguang
Published: January 2019

Pancreatic ductal adenocarcinoma (PDAC) is a refractory malignant tumor with poor prognosis, limited chemotherapeutic efficacy, and only about 5% of 5‐year survival rate. We generated a dual‐targeting ligand‐based lidamycin (DTLL) to investigate its efficacy against pancreatic cancer after preparing its precursor, DTLP. DTLP was shown specifically binding to EGFR and HER2 on cell surface, followed by endocytosis into cytoplasm of pancreatic cancer cells. DTLL significantly promoted apoptosis and cell cycle arrest at G2/M stages and inhibited cell proliferation. Pancreatic tumors of either MIA‐paca‐2 cell line‐derived (CDX) or patient‐derived xenograft (PDX) mouse models were significantly regressed in response to DTLL. It suggested that DTLL might be a highly potent bispecific antibody‐drug conjugate (ADC)‐like agent for pancreatic cancer therapy. LDM is known to function as an antitumor cytotoxic agent by its induction of DNA damage in cancer cells, therefore, DTLL, as its derivative, also showed similar cytotoxicity. However, we found that DTLL might reverse the AKT/mTOR feedback activation induced by LDM at the first time. The results from both in vitro and in vivo experiments suggested that DTLL enhanced DNA damage via EGFR/HER2‐dependent blockage of PI3K/AKT/mTOR and PD‐L1 signaling pathways in cancer cells, leading to the inhibition of cell proliferation and immunosurveillance escape from pancreatic tumor. Our studies on DTLL functional characterization revealed its novel mechanisms on internal enhancement of DNA damage and implied that DTLL might provide a promising targeted therapeutic strategy for pancreatic cancer.
The emergence of accelerated resolution therapy for treatment of post‐traumatic stress disorder: A review and new subgroup analyses
Authors: Kip Kevin E. , Berumen Jessica , Zeidan Amina R. , Hernandez Diego F. , Finnegan Alan P.
Published: January 2019

Introduction

Post‐traumatic stress disorder (PTSD) is a chronic, disabling psychiatric disorder prevalent among civilian and military personnel in the United States (US) and United Kingdom (UK). Current trauma‐focused psychotherapies may place high emotional demands and lengthy treatment commitment that may hinder successful treatment completion for some patients. Accelerated resolution therapy (ART) is an emerging trauma‐focused psychotherapy that is briefer than most current treatments.

Materials and Methods

This review describes the ART clinical protocol and theoretical underpinnings, its relationship to current treatments and formal established treatment guidelines and empirical research data. Also presented are new subgroup data for the use of ART among clients with PTSD and concomitant traumatic brain injury (TBI), and among US Special Operations Forces (SOF) personnel with extensive combat‐related trauma exposure. Treatment response was defined as ≥10‐point reduction on the 17‐item PCL‐M (PTSD Checklist).

Results

In subgroup analyses, mean treatment with ART consisted of approximately four sessions. Among 202 US service members/veterans, intention‐to‐treat response rates (assuming no response for non‐completers) by TBI status were as follows: no TBI (58.1%, n = 105), mild TBI (60.4%, n = 48), moderate/severe TBI (46.9%, n = 49). Among 141 US service members/veterans, intention‐to‐treat response rates by SOF status were as follows: non‐SOF (54.3%, n = 116), SOF (60.0%, n = 25).

Conclusion

The ART protocol aligns closely with established first‐line trauma‐focused psychotherapies and clinical guidelines. It appears to provide frequent clinical relief of symptoms of PTSD in an average of four sessions among military personnel with challenging clinical presentations, including concomitant TBI and extensive operational combat‐related trauma.
Chronic kidney disease is associated with increased mortality and procedural complications in transcatheter aortic valve replacement: a systematic review and meta‐analysis
Authors: Rattanawong Pattara , Kanitsoraphan Chanavuth , Kewcharoen Jakrin , Riangwiwat Tanawan , Chongyangyuenvong Pitchaporn , Vutthikraivit Wasawat , Mannem Santhosh R. , Chung Eugene H.
Published: January 2019

Objective

We performed a systematic review and meta‐analysis to explore the association between chronic kidney disease (CKD) and mortality and procedural complications in transcatheter aortic valve replacement (TAVR).

Background

The impact of varying stages of CKD or end‐stage renal disease (ESRD) on patients receiving TAVR is not clearly identified.

Methods

We searched the databases of MEDLINE and EMBASE from inception to May 2018. Included studies were published TAVR studies that compared the risk of mortality and procedural complications in CKD patients compared to control patients. Data from each study were combined using the random‐effects model.

Results

Twelve studies (42,703 CKD patients and 51,347 controls) were included. Compared with controls, CKD patients had a significantly higher risk of 30‐day overall mortality (risk ratio [RR] = 1.56, 95% confidence interval [CI]: 1.34–1.80, I2 = 60.9), long‐term cardiovascular mortality (RR = 1.44, 95% CI: 1.22–1.70, I2 = 36.2%), and long‐term overall mortality (RR = 1.66, 95% CI: 1.45–1.91, I2 = 80.3), as well as procedural complications including pacemaker requirement (RR = 1.20, 95% CI: 1.03–1.39, I2 = 56.1%) and bleeding (RR = 1.60, 95% CI: 1.26–2.02, I2 = 86.0%). Risk of mortality and procedural complications increased with severity of CKD for stages 3, 4, and 5, respectively, in terms of long‐term overall mortality (RR = 1.28, 1.82, and 2.12), 30‐day overall mortality (RR = 1.26, 1.89, and 1.93), 30‐day cardiovascular mortality (RR = 1.18, 1.75, and 2.50), and 30‐day overall bleeding (RR = 1.19, 1.63, and 2.12).

Conclusions

Our meta‐analysis demonstrates a significant increased risk of mortality and procedural complications in patients with CKD who underwent TAVR compared to controls.
Wire‐frame integrity of patch‐like Gore devices following atrial septal defect closure
Authors: Kubicki R. , Fingerhut K. , Uhl M. , Hummel J. , Höhn R. , Reineker K. , Fleck T. , Stiller B. , Grohmann J.
Published: January 2019

Objectives

To assess the structural integrity of the patch‐like Gore Septal Occluder (GSO) used for device closure of secundum‐type atrial septal defects (ASD II) in pediatric patients.

Background

GSO has shown to be effective and safe for ASD device closure in children and adolescents.

Methods

Single‐center, retrospective mid‐ to long‐term follow‐up of all children and adolescents with a GSO in situ (≥12 months). Periprocedural data and follow‐up data were evaluated, including chest X‐rays to assess the GSO's wire‐frame morphology.

Results

Ninety‐one consecutive patients were enrolled with a median age and weight of 5 years (range 2–18) and 20 kg (range 11–95) at implantation. ASD anatomy included 64 single and 27 multi‐fenestrated defects, with 39 patients having small retro‐aortic rims (≤4 mm). Median follow‐up period was 42.5 months (range 12–74). Chest X‐rays were available in 80 children: in 74 of them, the GSO's visualization on X‐ray enabled us to reliably assess the wire‐frame structure. Wire‐frame fracture (WFF) was ultimately detected in five of the 74 patients (6.8%); however, those occluders appeared stably anchored and well aligned to both sides of the septum, and no free wire fragments had escaped the GSO matrix. Thus, no further treatment was required.

Conclusions

Our data confirm that the GSO is safe and effective for ASD closure. Despite its lightweight construction, the GSO seems to offer reliable mechanical durability. Wire‐frame fractures occur, but the free wire‐ends appear to have remained stable within the GSO matrix without any clinical sequelae so far.
1‐Arylvinyl formats: A New CO Source and Ketone Source in Carbonylative Synthesis of Chalcone Derivatives
Authors: Qi Xinxin , Lai Ming , Zhu Min‐Jie , Peng Jin‐Bao , Ying Jun , Wu Xiao‐Feng
Published: January 2019

1‐Arylvinyl formates as a kind of new CO surrogate have been explored for the first time. Most of the known CO precursors usually produce undesired residuals, which have to be removed. In this strategy, after CO release, the in situ generated acetophenones from 1‐arylvinyl formates can be successfully applied as a good ketone source in the synthesis of chalcones with benzaldehydes via a palladium‐catalyzed reductive carbonylation reaction. A variety of chalcones were isolated in satisfactory to good yields with good substrates compatibilities under mild conditions.
Convenient One‐Pot Synthesis of 1,2,3,4‐Thiatriazoles Towards a Novel Electron Acceptor for Highly‐Efficient Thermally‐Activated Delayed‐Fluorescence Emitters
Authors: Qu Yangyang , Pander Piotr , Bucinskas Audrius , Vasylieva Marharyta , Tian Yayang , Miomandre Fabien , Dias Fernando B. , Clavier Gilles , Data Przemyslaw , Audebert Pierre
Published: January 2019

A novel and unexpected convenient one‐pot synthesis of 1,2,3,4‐thiatriazoles has been discovered while investigating the classical tetrazine “Pinner synthesis”. The synthetic route starts from commercially‐available nitrile derivatives and gives good to high yields (51–80 %) with no need to isolate any thioacylating agents. The crucial impact of the solvent on the outcome of the modified “Pinner synthesis” is moreover examined and discussed. Using this new synthetic route, a novel donor‐acceptor thiatriazole derivative has been prepared, which exhibits prominent thermally‐activated delayed fluorescence (TADF) in both solution and film. The photoluminescence quantum yield (PLQY) in methylcyclohexane (MCH) and Zeonex (a cyclo olefin polymer) in oxygen‐free conditions were determined to be 76 and 99 %, respectively. This work provides an efficient and practical synthetic approach to functionalized 1,2,3,4‐thiatriazole derivatives, and will noticeably facilitate the application of 1,2,3,4‐thiatriazole as an electron acceptor in organic electronics.
Cyclooctatetraene: A Bioactive Cubane Paradigm Complement
Authors: Xing Hui , Houston Sevan D. , Chen Xuejie , Ghassabian Sussan , Fahrenhorst‐Jones Tyler , Kuo Andy , Murray Cody‐Ellen P. , Conn Kyna‐Anne , Jaeschke Kara N. , Jin Da‐Yun , Pasay Cielo , Bernhardt Paul V. , Burns Jed M. , Tsanaktsidis John , Savage G. Paul , Boyle Glen M. , De Voss James J. , McCarthy James , Walter Gimme H. , Burne Thomas H. J. , Smith Maree T. , Tie Jian‐Ke , Williams Craig M.
Published: January 2019

Cubane was recently validated as a phenyl ring (bio)isostere, but highly strained caged carbocyclic systems lack π character, which is often critical for mediating key biological interactions. This electronic property restriction associated with cubane has been addressed herein with cyclooctatetraene (COT), using known pharmaceutical and agrochemical compounds as templates. COT either outperformed or matched cubane in multiple cases suggesting that versatile complementarity exists between the two systems for enhanced bioactive molecule discovery.
Dehydratisierung von Butanol in nah‐ und überkritischem Wasser
Authors: Busch Heiner , Vogel Herbert
Published: January 2019

Eine alternative Zugangsmöglichkeit für chemische Zwischenprodukte stellt die Umsetzung von durch Fermentation gewonnenem Butanol zu Buten dar. Die speziellen Eigenschaften von Wasser nahe des kritischen Punktes ermöglichen eine direkte Dehydratisierung des Butanols ohne vorherige Abtrennung des Wassers. In dieser Arbeit wurde die Umsetzung von 1‐Butanol aus wässriger Lösung zu Buten untersucht. In einem CSTR‐Reaktor wurden der Einfluss von verschiedenen Elektrolyten, Temperatur und Verweilzeit auf den Umsatz und die Produktverteilung quantifiziert. Zum besseren Verständnis der Reaktion wurden zudem Versuche zum Reaktionsverhalten von 2‐Butanol sowie zur Bestimmung der Dichte und des Phasenverhaltens durchgeführt.
Dynamic modelling and simulation of the sulphur dioxide converter in an industrial smelter
Authors: He Jianjun , Zhang Junfeng , Shang Helen
Published: January 2019

Sulphuric acid plants have been widely used in industrial smelters to reduce sulphur dioxide () emissions to the atmosphere. The catalytic converter, where is oxidized to sulphur trioxide (), is the key unit and determines the performance of a sulphuric acid plant. In this paper, a dynamic model is built based on mass and energy conservation for the converter in an industrial smelter. The derived model is compared with industrial measurement and a very good fit is obtained. A key variable of high industrial interest, conversion ratio, is defined and explored in modelling the converter, and thus the resulting model is of important industrial values. Based on the derived model, simulations are run to investigate the system dynamics and effects of process variables.
Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin
Authors: Van Lam van Thuy , Ivanova Teodora , Hardes Kornelia , Heindl Miriam Ruth , Morty Rory E. , Böttcher‐Friebertshäuser Eva , Lindberg Iris , Than Manuel E. , Dahms Sven O. , Steinmetzer Torsten
Published: January 2019

The activation of viral glycoproteins by the host protease furin is an essential step in the replication of numerous pathogenic viruses. Thus, effective inhibitors of furin could serve as broad‐spectrum antiviral drugs. A crystal structure of an inhibitory hexapeptide derivative in complex with furin served as template for the rational design of various types of new cyclic inhibitors. Most of the prepared derivatives are relatively potent furin inhibitors with inhibition constants in the low nanomolar or even sub‐nanomolar range. For seven derivatives the crystal structures in complex with furin could be determined. In three complexes, electron density was found for the entire inhibitor. In the other cases the structures could be determined only for the P6/P5‐P1 segments, which directly interact with furin. The cyclic derivatives together with two non‐cyclic reference compounds were tested as inhibitors of the proteolytic activation and replication of respiratory syncytial virus in cells. Significant antiviral activity was found for both linear reference inhibitors, whereas a negligible efficacy was determined for the cyclic derivatives.
Developmental changes in interkinetic nuclear migration dynamics with respect to cell‐cycle progression in the mouse cerebral cortex ventricular zone
Authors: Fousse Julie , Gautier Elodie , Patti Dorothée , Dehay Colette
Published: January 2019

We have examined the relationship between interkinetic nuclear migration (INM) and cell‐cycle progression of apical progenitors in the ventricular zone (VZ) at different stages of mouse cerebral corticogenesis. We report stage‐specific changes in INM due to a significant alteration of the nuclear apical movement dynamics with respect to cell‐cycle phases. While at early stages, the apical nuclear movement corresponds to the G2 phase, cell‐cycle phase specific immunostaining and real‐time imaging of PCNA expressing apical progenitors revealed that at midcorticogenesis, the nuclear apical movement is initiated well before the entry into G2, during S phase. We observed that the S phase and G2 phase segments of the nuclear apical movement exhibit different velocities. Experimental shortening of cell‐cycle duration via cyclin E overexpression in APs at midcorticogenesis leads to congruent INM behavior changes. This suggests that INM dynamics are under cell‐cycle related constraints.
Sensor interpixel correlation analysis and reduction for color filter array high dynamic range image reconstruction
Authors: Lindstrand Mikael
Published: January 2019

High dynamic range imaging (HDRI) by bracketing of low dynamic range (LDR) images is demanding, as the sensor is deliberately operated at saturation. This exacerbates any crosstalk, interpixel capacitance, blooming and smear, all causing interpixel correlations (IC) and a deteriorated modulation transfer function (MTF). Established HDRI algorithms exclude saturated pixels, but generally overlook IC. This work presents a calibration method to estimate the affected region from saturated pixels for a color filter array (CFA) sensor, using the native CFA as a matched filter. The method minimizes color crosstalk given a set of candidates for proximity regions, and requires no special setup. Results are shown for a 21‐bit HDR output image with improved color fidelity and reduced noise. The calibration reduces IC in the LDR images and is performed only once for a given sensor. The improvement is applicable to any HDRI algorithm based on CFA image bracketing, irrespective of sensor technology. Generalizations to subsaturated and supersaturated pixels are described, facilitating a suggested irradiance‐exposure dependent point spread function charge repatriation strategy.
Web‐based GIS for live GV of land generation through utilitarian association rule mining and multiple regression analysis for Chennai district
Authors: Srinivasan K. , Murugasan R.
Published: January 2019

In this paper, the Guideline Value (GV) of land is automatically generated via a utilitarian model, which consists of a multilevel regression predictor and an association rule. The utilitarian model generates GV for the Chennai area land in Tamil Nadu, India. In the existing system, the land GV is fixed based on the market price. The GV is revised according to market analysis, every 2 years, and creates an anomaly in price, causing loss to the government of Tamil Nadu. In the utilitarian GV pricing model, with the survey number or the street name entered in the website, the GV generates automatically. The automatic generation of the GV in the website is based on the real‐time calculation of the distance between the spatial and environmental parameters and the type of land use collected through a geographical information system. From the result, the utilitarian model provides 85% accuracy in the automated GV generation of land. The accuracy is evaluated through the Buyer Acceptance Testing (BAT) for the present and utilitarian guideline value.
Hydrogen Isotope Absorption in Unary Oxides and Nitrides with Anion Vacancies and Substitution
Authors: Watanabe Takumi , Kunisada Yuji , Sakaguchi Norihito
Published: January 2019

The absorption states of hydrogen isotopes in various ceramic materials were investigated by density functional theory. For pristine ceramic materials, main‐group oxides do not form any bond with a hydrogen atom. However, transition metal oxides form hydroxyl groups and absorb hydrogen atoms. Main‐group and transition metal nitrides form ionic bonds between a hydrogen atom and the surrounded cation. For anion‐deficient ceramic materials, hydrogen atoms are negatively charged because of excess electrons induced by anion vacancies, and ionic bonds form with the surrounded cation, which stabilizes the hydrogen absorption state. N substitutional doping into oxides introduces an electron hole, while O substitutional doping into the nitrides introduces an excess of electrons. Therefore, hydrogen isotopes form covalent bonds in N‐substituted oxides, and form hydride ions in O‐substituted nitrides. Thus, Al2O3, SiO2, CrN, and TiN are promising materials as hydrogen permeation barriers.
Systemic inflammatory burden and local inflammation in periodontitis: What is the link between inflammatory biomarkers in serum and gingival crevicular fluid?
Authors: Zekeridou Alkisti , Mombelli Andrea , Cancela Jose , Courvoisier Delphine , Giannopoulou Catherine
Published: January 2019

In periodontitis patients, high levels of several inflammatory markers may be expressed in serum, reflecting the effect of local disease on the general health. The objective of the present analysis was to compare cytokine levels assessed in peripheral blood with those in the gingival crevicular fluid (GCF) and evaluate the impact of nonsurgical periodontal therapy on the incidence of high levels of 12 biomarkers in serum. Twenty‐four patients with chronic periodontitis (Group P) contributed with serum and GCF samples at baseline (BL) and 1 and 3 months after periodontal treatment (M1 and M3). Samples were assessed for 12 cytokines using the Bio‐Plex bead array multianalyte detection system. For each analyte, peak values were calculated as greater than the mean + 2SD of the one found in 60 periodontally healthy participants. Significant correlations between serum and GCF values were obtained in the periodontitis group for interleukin (IL) 1ra, IL‐6, and interferon γ at BL and for macrophage inflammatory protein 1β at M3 after treatment. Periodontitis subjects were found to exhibit high peaks for several inflammatory markers in serum. The highest incidence of peaks at BL was found for interferon γ (37.5% of the periodontitis subjects). For the four biomarkers with a detection frequency of >75% at BL (IL‐1ra, IL‐8, macrophage inflammatory protein 1β, and vascular endothelial growth factor), no significant difference was observed over time for the P group or between the two groups at BL. The significant correlation found between the serum and the GCF for certain cytokines and the fact that periodontitis subjects exhibit high peaks for several inflammatory markers in serum may support the hypothesis that the inflammatory reaction due to periodontitis is not restricted to the diseased sites. Within the limitations of the study, periodontal therapy did not seem to have any significant impact on the systemic cytokine levels.
A Prospective Life Cycle Assessment (LCA) of Monomer Synthesis: Comparison of Biocatalytic and Oxidative Chemistry
Authors: Delgove Marie A. F. , Laurent Achille‐B. , Woodley John M. , De Wildeman Stefaan M. A. , Bernaerts Katrien V. , van der Meer Yvonne
Published: January 2019

Biotechnological processes are typically perceived to be greener than chemical processes. A life cycle assessment (LCA) was performed to compare the chemical and biochemical synthesis of lactones obtained by Baeyer–Villiger oxidation. The LCA is prospective (based on experiments at a small scale with primary data) because the process is at an early stage. The results show that the synthesis route has no significant effect on the climate change impact [(1.65±0.59) kg gproduct−1vs. (1.64±0.67) kg gproduct−1]. Key process performance metrics affecting the environmental impact were evaluated by performing a sensitivity analysis. Recycling of solvents and enzyme were shown to provide an advantage to the enzymatic synthesis. Additionally, the climate change impact was decreased by 71 % if renewable electricity was used. The study shows that comparative LCAs can be used to usefully support decisions at an early stage of process development.
Characteristic behaviour of plasma fluctuations inside a plasma bubble in presence of a magnetic field due to the formation of a potential well
Authors: Megalingam Mariammal , Sarma Bornali , Sarma Arun
Published: January 2019

Experiments were carried out to observe the effect of a magnetic field and grid biasing voltage in presence of a plasma bubble in a magnetized, filamentary discharge plasma system. A spherical mesh grid of 80% optical transparency was negatively biased and introduced into the plasma for creating a plasma bubble. Diagnostics via an electrical Langmuir probe and a hot emissive probe were extensively used for scanning the plasma bubble. Plasma floating potential fluctuations were measured at three different positions of the plasma bubble. The instability in the pattern showed the dynamic transition from periodic to chaotic for increasing magnetic fields. Time scale analysis using continuous wavelet transform was carried out to identify the presence of non‐linearity from the contour plots. The mechanisms of the low‐frequency instabilities along with the transition to chaos could be qualitatively explained. Non‐linear techniques such as fast Fourier transform, phase space plot, and recurrence plot were used to explore the dynamics of the system appearing during plasma fluctuations. In order to demonstrate the observed chaotic phenomena in this study, characteristics of chaos such as the Lyapunov exponent were obtained from experimental time series data. The experimentally observed potential structure is confirmed with numerical analysis based on fluid hydrodynamics.
Gonadal steroid hormone secretion during the juvenile period depends on host‐specific microbiota and contributes to the development of odor preference
Authors: Kamimura Itsuka , Watarai Akiyuki , Takamura Takuma , Takeo Atsushi , Miura Kyoko , Morita Hidetoshi , Mogi Kazutaka , Kikusui Takefumi
Published: January 2019

The host microbial community is thought to have an important role in the host endocrine system and behavioral phenotype. We investigated chronological changes of levels of gonadal hormones and corticosterone in the feces of 4‐ to 8‐week‐old female germ‐free (GF) mice, and conducted odor preference test at 8 weeks of age. We further evaluated the developmental impact of the microbial community by analyzing 4‐week‐old GF mice orally administered the fecal microbiota of specific pathogen‐free (SPF) mice or guinea pigs (GF‐SPF mice or GF‐Guinea pig mice). The fecal estradiol, progesterone, and corticosterone levels of GF mice were lower than those of SPF mice. Furthermore, the increased levels in GF mice were suggested to be caused by colonization of microbiota of SPF mice or guinea pigs. However, the degree of recovery of progesterone and corticosterone by microbiota of guinea pigs was lower than that by SPF mice. In odor preference tests, interestingly, female GF mice preferred female odors to male odors, although this preference was not seen in other mice. These findings suggested that the microbial community plays an important role in the development of the host endocrine system for gonadal hormones and corticosterone, and odor preference in mice.
The role of ecotype‐environment interactions in intraspecific trophic niche partitioning subsequent to stocking
Authors: Morissette O. , Sirois P. , Wilson C. C. , Laporte M. , Bernatchez L.
Published: January 2019

Worldwide, stocking of fish represents a valuable tool for conservation and maintenance of species exploited by recreational fishing. Releases of hatchery‐reared fish are more and more recognized to have numerous demographic, ecological, and genetic impacts on wild populations. However, consequences on intraspecific trophic relationships have rarely been investigated. In this study, we assessed the impacts of supplementation stocking and resulting introgressive hybridization on the trophic niches occupied by stocked, local, and hybrid lake trout (Salvelinus namaycush) within populations of piscivorous and planktivorous ecotypes stocked from a wild piscivorous source population. We compared trophic niches using stable isotope analysis (δ13C and δ15N) and trophic position among the three genetic origins. Putative genetic effects were tested with phenotype–genotype association of “life history” ecological traits (body size, growth rate, condition index, and trophic niche) and genotypes (RADseq SNP markers) using redundant discriminant analysis (RDA). Results showed that sympatry resulting from the stocking of contrasting ecotypes is a risk factor for niche partitioning. Planktivorous populations are more susceptible to niche partitioning, by competitive exclusion of the local fish from a littoral niche to an alternative pelagic/profundal niche. Observed niche partitioning is probably a manifestation of competitive interactions between ecotypes. Our results emphasize that ecotypic variation should be considered for more efficient management and conservation practices and in order to mitigate negative impact of supplementation stocking.
Does biocrust successional stage determine the degradation of vascular vegetation via alterations in its hydrological roles in semi‐arid ecosystem?
Authors: Guan Hongjie , Liu Xinyu
Published: January 2019

Biocrusts may influence soil moisture by changing soil hydrological properties and thus affect the growth of vascular vegetation. However, their effects on soil moisture and vascular vegetation have not been sufficiently evaluated. In this study, five treatments, including bare land with sporadic cyanobacterial biocrusts (BL), lichen‐dominated biocrusts, Artemisia ordosica (AO), A. ordosica with moss biocrusts, and old‐aged A. ordosica with moss biocrusts (OAMB), were established to evaluate the effects of biocrusts on soil hydrological properties and shrub growth. Our results showed that the field capacity (θf) and saturated soil moisture (θs) for the OAMB treatment was higher than that for the BL treatment, although the difference between the five treatments was insignificant. The OAMB treatment deceased soil moisture 8.7% on average due to their significant lower saturated hydraulic conductivity (Ks) (82.9%), compared with the BL treatment. The OAMB treatment protected against soil water loss during the beginning stages of evaporation and facilitated soil evaporation during the late stages. Interestingly, the soil water condition underneath the OAMB treatment was not improved after the degradation of AO. The A. ordosica with moss biocrusts treatment had 12.7% lower aboveground biomass and 46.0% lower twig biomass than that for the AO treatment, suggesting the negative effects of biocrusts on the growth of artificially planted shrubs. The findings have important implications for the competitive relationships between biocrusts and vascular vegetation and managing artificial planted shrubs.
Site‐specific differences in the spatial ecology of northern cottonmouths
Authors: Delisle Zackary J. , Ransom Dean , Lutterschmidt William I. , Delgado‐Acevedo Johanna
Published: January 2019

We conducted a yearlong telemetric study on 44 northern cottonmouths (Agkistrodon piscivorus) and recorded their weekly spatial position and use at two different and unconnected wetlands: Cooper Wildlife Management Area (Cooper WMA) and Texas A&M Commerce Wetland Area (Commerce WA). These wetland sites differed in size, but were nearly identical in general locality, structure, hydrology, vegetative composition, available resources, and biodiversity. Home ranges for male cottonmouths at the larger Cooper WMA (n = 16; 95% kernel density estimate (KDE)  = 54.69 ha ± 9.36; 100% minimum convex polygon (MCP) = 22.9 ha ± 4.19) were significantly larger than those at the smaller Commerce WA (n = 10; 95% KDE  = 19.88 ha ± 4.71; 100% MCP = 8.98 ha ± 2.27). The home ranges of males (n = 26; 95% KDE  = 41.3 ha ± 6.84; 100% MCP = 17.55 ha ± 3.00) were also significantly larger than those of females (n = 7; 95% KDE  = 7.04 ha ± 1.81; 100% MCP = 3.08 ha ± 0.82) at both sites. We found no relationship between body size and home range size at either study site. Average weekly distance traveled by males ( = 110.07 m ± 10.80) was significantly greater than that of females ( = 45.04 m ± 4.34), and male movement rates were bimodal in distribution with peaks of movement in the spring and fall. These peaks in movement rates coincided with the spring and fall migrations for mating, thermoregulation, parturition, and access to hibernacula and food resources. We found home ranges within these two‐dimensional wetlands to be larger than those reported for linear or one‐dimensional riparian sites. We discuss how wetland size and the size‐dependent dispersion of potential resources within similar wetlands may influence movement patterns and home range sizes. Such information may serve to evaluate effective wetland size for the conservation and management of wetland species.
Artificial reforestation produces less diverse soil nitrogen‐cycling genes than natural restoration
Authors: Wang Yun , Zheng Hua , Chen Falin , Yang Yunfeng , Zeng Jing , D. Van Nostrand Joy , Zhou Jizhong , Ouyang Zhiyun
Published: January 2019

Reforestation is effective in restoring ecosystem functions and enhancing ecosystem services of degraded land. The three most commonly employed reforestation methods of natural reforestation, artificial reforestation with native Masson pine, and introduced slash pine plantations were equally successful in biomass yield in southern China. However, it is not known whether soil ecosystem functions, such as nitrogen (N) cycling, are also successfully restored. Here, we employed a functional microarray to illustrate soil N‐cycling. The composition of N‐cycling genes in soils varied significantly with reforestation method and varied with constructive species identity and plant diversity. Artificial reforestation had less superior organization of N‐cycling genes than natural reforestation, as indicated by the less diverse and less stable pathways to perform the biogeochemical N‐cycling processes. Besides, artificial reforestation had lower functional potential (abundance of ammonification, denitrification, assimilatory, and dissimilatory nitrate reduction to ammonium genes) in soils than natural method. Evaluations of the abundance and interactions of N‐cycling genes in soils showed that plantations, especially artificial reforestation with slash pine plantations, possessed a smaller range of ecosystem functions that provide a less diverse array of N‐related substrates and nutrients to microbial communities compared with natural restoration. This might lead to a lower independence of N‐cycling, which indicated a higher risk of N release in plantations. The unfavorable N‐cycling conditions in plantations were corroborated by the lower contents of available N, ammonium N, and nitrate N. These findings demonstrate that reforestation methods could have broad regional and possibly global implications for N‐cycling.