bluuebunny/crossref_metadata_2025_split huggingface dataset:
Engineering of a Plant Isoprenyl Diphosphate Synthase for Development of Irregular Coupling Activity
Authors: Gerasymenko Iryna , Sheludko Yuriy V. , Navarro Fuertes Ismael , Schmidts Volker , Steinel Lara , Haumann Elisabeth , Warzecha Heribert 
Published: October 2021

AbstractWe performed mutagenesis on a regular isoprenyl diphosphate synthase (IDS), neryl diphosphate synthase from Solanum lycopersicum (SlNPPS), that has a structurally related analogue performing non‐head‐to‐tail coupling of two dimethylallyl diphosphate (DMAPP) units, lavandulyl diphosphate synthase from Lavandula x intermedia (LiLPPS). Wild‐type SlNPPS catalyses regular coupling of isopentenyl diphosphate (IPP) and DMAPP in cis‐orientation resulting in the formation of neryl diphosphate. However, if the enzyme is fed with DMAPP only, it is able to catalyse the coupling of two DMAPP units and synthesizes two irregular monoterpene diphosphates; their structures were elucidated by the NMR analysis of their dephosphorylation products. One of the alcohols is lavandulol. The second compound is the trans‐isomer of planococcol, the first example of an irregular cyclobutane monoterpene with this stereochemical configuration. The irregular activity of SlNPPS constitutes 0.4 % of its regular activity and is revealed only if the enzyme is supplied with DMAPP in the absence of IPP. The exchange of asparagine 88 for histidine considerably enhanced the non‐head‐to‐tail coupling. While still only observed in the absence of IPP, irregular activity of the mutant reaches 13.1 % of its regular activity. The obtained results prove that regular IDS are promising starting points for protein engineering aiming at the development of irregular activities and leading to novel monoterpene structures.
Heterogeneous Base‐Catalyzed Conversion of Glycolaldehyde to Aldotetroses: Mechanistic and Kinetic Insight
Authors: Barsøe Linette Rønn , Saravanamurugan Shunmugavel , Taarning Esben , Espin Juan Salvador Martinez , Meier Sebastian 
Published: October 2021

AbstractRecent strides towards greater sustainability in materials and energy production have led to a resurgence in the study and utilization of carbohydrates. Opposite to C6 and C5 carbohydrates, C4 carbohydrates (tetroses) are much less accessible from biological sources. A promising approach for the production of C4 carbohydrates is the cracking of C6 carbohydrates to C2 fragments, and the subsequent combination of two C2 fragments to tetroses. Here, we show that the suitable choice of reaction conditions can kinetically stabilize the rare aldotetroses threose (THR) and erythrose (ERY). The latter approach yields THR and ERY at high selectivity under benign conditions, using commercial resins with tertiary amine groups as the catalyst. Isotope incorporation into GA in D2O solvent is introduced as a reference reaction to probe the competitive formation of aldotetroses and deuterated GA from a low‐populated, not directly detected enediol intermediate that is formed in the rate‐determining step. Reaction progress tracked in situ by NMR and ex situ by chromatography validates that the overall conversion is of first order with respect to GA due to the slow initial enolization. Cyclization of the aldotetroses slows their further conversion to thermodynamically more stable erythrulose and C6 sugars.
Withdrawn: Großformatige Glastüren in Erdbebengebieten
Authors: Engelmann Michael , Schumacher Helmut , Schwenkkreis Stephan 
Published: October 2021

AbstractEngelmann, M., Schumacher, H. and Schwenkkreis, S. (2021), Großformatige Glastüren in Erdbebengebieten, ce/papers, 4: 30–41. https://doi.org/10.1002/cepa.1240The above article fromthe ce/papers, published online on 19 October 2021 in Wiley Online Library (wileyonlinelibrary.com), has been withdrawn from online publication by agreement between the authors, the journal's Editor‐in‐Chief, Dr.‐Ing. Dirk Jesse, and Ernst & Sohn GmbH. This action has been agreed due to an error at the publishers that resulted in the publication of an online version of the paper without appropriate permissions. The article remains available in print form inWeller, B.; Tasche, S. [eds.] (2020) Glasbau 2020. Berlin: Ernst & Sohn. ISBN: 978‐3‐433‐03291‐6.
Vereinfachte rechnerische Last‐Verformungsvorhersage von Klebfugen mit hyperelastischem Verhalten im Konstruktiven Glasbau
Authors: Richter Carl , Abeln Björn , Schaaf Benjamin , Feldmann Markus 
Published: October 2021

AbstractGeklebte Verbindungen haben im Konstruktiven Glasbau ein großes Anwendungspotential. Allerdings sind die Vorbehalte gegenüber einem tragenden Einsatz aufgrund der fehlenden Kenntnis des Tragverhaltens noch groß. Zwar ist die Abhängigkeit des Materialverhaltens vom vorherrschenden Spannungszustand neben den Einflüssen aus Temperatur, Belastungsgeschwindigkeit und Belastungsgeschichte prinzipiell geklärt, bisher aber nur schwer quantifizierbar. In diesem Beitrag sollen unter klarer Definition der Randbedingungen die Möglichkeiten einer rechnerischen Prognose vorgestellt werden. Über FEM‐Einheitszellenberechnungen mit dem Ogden‐Modell werden über die Spannungsmehrachsigkeit klebstoffspezifische Steifigkeitsortskurven abgeleitet. Der Vergleich der Ergebnisse mit Versuchen ergibt überaus zufriedenstellende Übereinstimmungen.Simplified calculated load‐deformation prediction of adhesive joints with hyperelastic behaviour in glass construction. Bonded joints have great application potential in structural glass construction. However, there are still major reservations against a load‐bearing application due to the lack of knowledge of the load‐bearing behaviour. Although the dependence of the material behaviour on the prevailing stress state in addition to the influences of temperature, load speed and load history has been clarified in principle, it has been difficult to quantify it to date. In this paper the possibilities of a computational prognosis shall be presented under clear definition of the boundary conditions. Using FEM unit cell calculations with the Ogden model, adhesive‐specific stiffness location curves are derived via the stress multiaxiality. The comparison of the results with tests results in very satisfactory similarities.
Belastbarkeit von Flachglas in Abhängigkeit der Oberflächenbehandlung
Authors: Rist Tobias , Kott Alexander , Kleer Günter 
Published: October 2021

AbstractDie Oberflächenveredelung von Gläsern spielt bei technischen Anwendungen eine wichtige Rolle. In Form von dünnen Sputterschichten oder als dickere gedruckte Schichten können Funktionen wie Reflexion von Infrarot‐Licht, elektrische Leitfähigkeit, gezielte Farbgebung oder die Funktion als Lotwerkstoff für Fügeprozesse eingebracht werden. Durch Kombinationen von definiert strukturierten Schichten lassen sich Solarmodule aufbauen. In dieser Arbeit werden die Belastbarkeiten von Glasproben mit unterschiedlichen Oberflächenveredelungen im Doppelringbiegeversuch untersucht. Die Ergebnisse zeigen deutliche Unterschiede in der Belastbarkeit je nach Oberflächenbehandlung und liefern wertvolle Erkenntnisse für die Auslegung von Glaskomponenten.Load capacity of flat glass depending on the surface treatment. The surface refinement of glass plays an important role in technical applications. In the form of thin sputter layers or thicker printed layers, functions such as reflection of infrared light, electrical conductivity, targeted colouring or the function as solder material for joining processes can be introduced. Solar modules can be built by combining defined structured layers. In this thesis, investigations are carried out to determine the loading capacity of glass samples with different surface finishes in the double ring bending test. The results show clear differences in the load‐bearing capacity from the original glass to glass with refinement. When designing glass components, the respective load‐bearing capacity must be taken into account.
Multiple Regulation Effects of Ammonium Acetate on ZnO Growth Process in Chemical Bath Deposition
Authors: Liu Gen , Yu Xue , Xu Rui , Zhu Xiaodong , Ma Yanqing , Ma Lei 
Published: October 2021

AbstractChemical bath deposition method has been used to synthesize a variety of ZnO morphology structures. However, the specificity and interaction of acetate and ammonium ions with ZnO crystal during the growth process remain elusive. This study contributes to understand the roles of ammonium acetate on the growth mechanism of ZnO in Zn(NO3)2‐HMTA system. The growth process indicates that the nucleation experienced Zn2+‐layered basic zinc salts (LBZs)‐ZnO process, while the self‐assembled unit changed from urchin‐shaped, rod‐shaped to a fully coupled twin‐shaped structure with increasing ammonium acetate concentration. Ammonium acetate dominates the growth process by combing the ligand‐ligand interaction of acetate ions binding to the same Zn‐rich (0001) polar surface and ammonium ions regulating hexamethylenetetramine (HMTA) hydrolysis. Relatively regular hexagonal wurtzite structure and a dissolve‐renucleation‐regrowth process which retains the twin‐shaped template and renucleates at the same position are observed at ∼10 mM ammonium acetate. Photoelectrochemistry (PEC) measurements show that the uniform hexagonal ZnO rods (Y‐10, the sample named as Y‐x (x represents x mM ammonium acetate, herein, x is 10 mM)) have a maximum photocurrent density of 1.54 mA cm−2 at 1.23 V (vs. RHE), much higher than that of the dumbbell‐shaped ZnO rods (Y‐50, 0.20 mA cm−2) at the same voltage. These results provide a further explanation of morphology regulation mechanisms on ZnO synthesis processes and pave the road for more practical applications.
Rh(I)/(III)‐N‐Heterocyclic Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio‐ and Stereoselectivity in the Hydrosilylation of Alkynes
Authors: Panyam Pradeep K. R. , Atwi Boshra , Ziegler Felix , Frey Wolfgang , Nowakowski Michal , Bauer Matthias , Buchmeiser Michael R. 
Published: October 2021

AbstractRh(I) NHC and Rh(III) Cp* NHC complexes (Cp*=pentamethylcyclopentadienyl, NHC=N‐heterocyclic carbene=pyrid‐2‐ylimidazol‐2‐ylidene (Py−Im), thiophen‐2‐ylimidazol‐2‐ylidene) are presented. Selected catalysts were selectively immobilized inside the mesopores of SBA‐15 with average pore diameters of 5.0 and 6.2 nm. Together with their homogenous progenitors, the immobilized catalysts were used in the hydrosilylation of terminal alkynes. For aromatic alkynes, both the neutral and cationic Rh(I) complexes showed excellent reactivity with exclusive formation of the β(E)‐isomer. For aliphatic alkynes, however, selectivity of the Rh(I) complexes was low. By contrast, the neutral and cationic Rh(III) Cp* NHC complexes proved to be highly regio‐ and stereoselective catalysts, allowing for the formation of the thermodynamically less stable β‐(Z)‐vinylsilane isomers at room temperature. Notably, the SBA‐15 immobilized Rh(I) catalysts, in which the pore walls provide an additional confinement, showed excellent β‐(Z)‐selectivity in the hydrosilylation of aliphatic alkynes, too. Also, in the case of 4‐aminophenylacetylene, selective formation of the β(Z)‐isomer was observed with a neutral SBA‐15 supported Rh(III) Cp* NHC complex but not with its homogenous counterpart. These are the first examples of high β(Z)‐selectivity in the hydrosilylation of alkynes by confinement generated upon immobilization inside mesoporous silica.
Formation of Stable NiIII N‐Confused Porphyrins Aided by a 3‐Ethoxy Group
Authors: He Huowang , Ye Zongren , Shimizu Daiki , Sumra Idrees , Zhang Yihuan , Liang Zhengyu , Zeng Yingyu , Xu Ling , Osuka Atsuhiro , Ke Zhuofeng , Jiang Hua‐Wei 
Published: October 2021

AbstractWe report the synthesis, characterization, and reactivities of two stable NiIII N‐confused porphyrin (NCP) complexes. Metalation of 3‐OEt NCP 1 with NiCl2 ⋅ 6H2O in CHCl3/EtOH gave 3‐OEt NiII NCP 3 initially, which was easily oxidized in air to form the NiIII complex of NCP inner C‐oxide 4. Bis‐ethoxy‐modified NiIII complex 5 was synthesized by oxidation of 3 with PIFA in ethanol and CHCl3. The structures of 4 and 5 were determined by single‐crystal X‐ray diffraction analysis. An unusually long NiIII−C bond (2.170(9) Å) was observed in 4. The g‐factor (g>2.1) observed in the EPR spectra of 4 and 5 further confirmed that they are paramagnetic NiIII complexes. Comparative experiments showed that the 3‐ethoxy group plays an important role in the formation of 4 and 5. Reduction of 4 and 5 with NaBH4 regenerated complex 3.
On the Reduction of MoO3 to MoO2: A Path to Control the Particle Size and Morphology
Authors: Zoller Michael , O'Sullivan Michael , Huppertz Hubert 
Published: October 2021

AbstractDuring the reduction of molybdenum trioxide (MoO3) to metallic molybdenum, the first reduction step yielding molybdenum dioxide as an intermediary product is of crucial importance. In this study, we examined the impact of the parameters reduction temperature, water influx, and potassium content on the hydrogen reduction of this first reaction step. Beginning from the same starting material, the chemical vapor transport mechanism was utilized to yield the phase pure MoO2. Analyses including powder X‐ray diffraction, inductively coupled plasma‐mass spectrometry, scanning electron microscopy, and high performance optical microscopy were performed on the product phases. Modulations of the specific surface areas of molybdenum dioxide ranging from 2.28 to 0.41 m2/g were possible. Furthermore, a distinct shift from small plate‐like grains to cuboid‐like forms was achieved.
An alert system for Seasonal Fire probability forecast for South American Protected Areas
Authors: Anderson Liana O. , Burton Chantelle , dos Reis João B. C. , Pessôa Ana Carolina M. , Bett Philip , Carvalho Nathália S. , Junior Celso H. L. Silva , Williams Karina , Selaya Galia , Armenteras Dolors , Bilbao Bibiana A. , Xaud Haron A. M. , Rivera‐Lombardi Roberto , Ferreira Joice , Aragão Luiz E. O. C. , Jones Chris D. , Wiltshire Andrew J. 
Published: October 2021

AbstractTimely spatially explicit warning of areas with high fire occurrence probability is an important component of strategic plans to prevent and monitor fires within South American (SA) Protected Areas (PAs). In this study, we present a five‐level alert system, which combines both climatological and anthropogenic factors, the two main drivers of fires in SA. The alert levels are: High Alert, Alert, Attention, Observation and Low Probability. The trend in the number of active fires over the past three years and the accumulated number of active fires over the same period were used as indicators of intensification of human use of fire in that region, possibly associated with ongoing land use/land cover change (LULCC). An ensemble of temperature and precipitation gridded output from the GloSea5 Seasonal Forecast System was used to indicate an enhanced probability of hot and dry weather conditions that combined with LULCC favour fire occurrences. Alerts from this system were first issued in August 2020, for the period ranging from August to October (ASO) 2020. Overall, 50% of all fires observed during the ASO 2017–2019 period and 40% of the ASO 2020 fires occurred in only 29 PAs were all categorized in the top two alert levels. In categories mapped as High Alert level, 34% of the PAs experienced an increase in fires compared with the 2017–2019 reference period, and 81% of the High Alert false alarm registered fire occurrence above the median. Initial feedback from stakeholders indicates that these alerts were used to inform resource management in some PAs. We expect that these forecasts can provide continuous information aiming at changing societal perceptions of fire use and consequently subsidize strategic planning and mitigatory actions, focusing on timely responses to a disaster risk management strategy. Further research must focus on the model improvement and knowledge translation to stakeholders.
Cancer health self‐efficacy improvement in a randomized controlled trial
Authors: Leach Corinne R. , Hudson Shawna V. , Diefenbach Michael A. , Wiseman Kara P. , Sanders Amy , Coa Kisha , Chantaprasopsuk Sicha , Stephens Robert L. , Alfano Catherine M. 
Published: October 2021

BackgroundeHealth interventions can help cancer survivors self‐manage their health outside the clinic. Little is known about how best to engage and assist survivors across the age and cancer treatment spectra.MethodsThe American Cancer Society conducted a randomized controlled trial that assessed efficacy of, and engagement with, Springboard Beyond Cancer, an eHealth self‐management program for cancer survivors. Intent‐to treat analyses assessed effects of intervention engagement for treatment (on‐treatment vs completed) overall (n = 176; 88 control, 88 intervention arm) and separately by age (<60 years vs older). Multiple imputation was used to account for participants who were lost to follow‐up (n = 41) or missing self‐efficacy data (n = 1) at 3 months follow‐up.ResultsSelf‐efficacy for managing cancer, the primary outcome of this trial, increased significantly within the intervention arm and for those who had completed treatment (Cohen's d = 0.26, 0.31, respectively). Additionally, participants with moderate‐to‐high engagement in the text and/or web intervention (n = 30) had a significantly greater self‐efficacy for managing cancer‐related issues compared to the control group (n = 68), with a medium effect size (Cohen's d = 0.44). Self‐efficacy did not differ between the intervention and control arm at 3 months post‐baseline.ConclusionsStudy results suggest that cancer survivors benefit variably from eHealth tools. To maximize effects of such tools, it is imperative to tailor information to a priori identified survivor subgroups and increase engagement efforts.
Treatment patterns and outcomes of palliative systemic therapy in patients with salivary duct carcinoma and adenocarcinoma, not otherwise specified
Authors: Sousa Luana G. , Wang Kaiwen , Torman Danice , Binks Bailee J. , Rubin Maria Laura , Andersen Clark R. , Lewis Whitney E. , Rivera Melvin J. , Kaya Diana , El‐Naggar Adel K. , Hanna Ehab Y. , Esmaeli Bita , Frank Steven J. , Bell Diana , Glisson Bonnie S. , Rodon Jordi , Meric‐Bernstam Funda , Lee J. Jack , Ferrarotto Renata 
Published: October 2021

BackgroundSalivary duct carcinoma (SDC) and adenocarcinoma, not otherwise specified (adeno‐NOS), are rare salivary gland cancers. Data on the efficacy of systemic therapy for these diseases are limited.MethodsData were retrospectively collected from patients seen at The University of Texas MD Anderson Cancer Center during 1990 to 2020. Objective response rate (ORR) was assessed per RECIST v1.1. Recurrence‐free survival (RFS), progression‐free survival (PFS), and overall survival (OS) were assessed by Kaplan‐Meier method. Cox regression model was performed to identify predictors of survival.ResultsThe analysis included 200 patients (110 with SDC and 90 with adeno‐NOS); 77% had androgen‐receptor‐positive tumors and 47% had HER2‐positive (2+‐3+) tumors. Most patients without metastasis at diagnosis underwent surgery (98%) and postoperative radiotherapy (87%). Recurrence rate was 55%, and the median RFS was 2 years. Nodal involvement and positive surgical margins were associated with recurrence (P < .005). Among patients with stage IVA‐B disease, addition of systemic therapy to local therapy increased OS (P = .049). The most‐used palliative‐systemic‐therapy regimen was platinum doublet ± trastuzumab. For first‐line therapy, the ORR and median PFS were 33% and 5.76 months, respectively, and for second‐line therapy the ORR and median PFS were 25% and 5.3 months, respectively. ORR and PFS were higher with HER2‐targeting agents. Median OS was 5 years overall and 2 years for metastatic disease. Older age and higher stage were associated with worse OS.ConclusionAdding systemic therapy to local therapy may improve outcomes of patients with locoregionally advanced SDC or adeno‐NOS. Except for HER2‐targeted therapy, response to palliative systemic therapy is limited. These findings may be used as a benchmark for future drug development.
A self‐learning artificial bee colony algorithm based on reinforcement learning for a flexible job‐shop scheduling problem
Authors: Long Xiaojun , Zhang Jingtao , Qi Xing , Xu Wenlong , Jin Tianguo , Zhou Kai 
Published: October 2021

SummaryThe flexible job‐shop scheduling problem (FJSP) is currently one of the most critical issues in process planning and manufacturing. The FJSP is studied with the goal of achieving the shortest makespan. Recently, some intelligent optimization algorithms have been applied to solve FJSP, but the key parameters of intelligent optimization algorithms cannot be dynamically adjusted during the solution process. Thus, the solutions cannot best meet the needs of production. To solve the problems of slow convergence speed and reaching a local optimum with the artificial bee colony (ABC) algorithm, an improved self‐learning artificial bee colony algorithm (SLABC) based on reinforcement learning (RL) is proposed. In the SLABC algorithm, the number of updated dimensions of the ABC algorithm can be intelligently selected according to the RL algorithm, which improves the convergence speed and accuracy. In addition, a self‐learning model of the SLABC algorithm is constructed and analyzed using Q‐learning as the learning method of the algorithm, and the state determination and reward methods of the RL algorithm are designed and included in the environment of the artificial bee colony algorithm. Finally, this article verifies that SLABC has excellent convergence speed and accuracy in solving FJSP through Brandimarte instances.
A path planning model based on nested regular hexagons using weighted centroid localization
Authors: Karagol Serap , Yildiz Dogan 
Published: October 2021

SummaryIn many wireless sensor network (WSN) applications, the location of a sensor node is crucial for determining where the event or situation of interest occurred. Therefore, localization is one of the critical challenges in WSNs. Mobile anchor node assisted localization (MANAL) is one of the promising solutions for the localization of statically deployed sensors. The main problem in MANAL localization is that the path planning of the mobile anchor (MA) node should be done so that the localization error in the network will be minimal and that all unknown nodes in the network are covered. This paper proposes a new path planning approach called nested hexagons curves (NHexCurves) for MANAL. NHexCurves guarantees that it will receive messages from at least three non‐collinear anchors to locate all unknown nodes in the network. The proposed model has compared six different path planning schemes in the literature using weighted centroid localization (WCL). In these comparisons, first of all, localization errors of the models are compared using some statistical concepts. Second, the variation of the localization error according to parameters such as resolution (R) and the standard deviation of noise (σ) is observed. Then, with similar approaches, the standard deviation of errors, localization ratio, scalability performances, and finally, path lengths of the models are examined. The simulation results show that the NHexCurves static path planning model proposed in this study stands out compared to other models with high localization error and localization ratio performance, especially at low resolutions, due to its path design. At the same time, the lowest error values according to σ are obtained with the proposed model among all models considered.