bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effective Strain Engineering of IrO2 Toward Improved Oxygen Evolution Catalysis through a Catalyst‐Support System
Authors: Zhou Zhenhua , Zaman Waqas Qamar , Sun Wei , Zhang Hao , Tariq Muhammad , Cao Limei , Yang Ji 
Published: August 2019

AbstractA template‐free, one‐step synthesis of nano‐IrO2 on a layered Mn−Co birnessite support was developed to induce the catalyst‐support interaction. The IrO2 nanoparticles were prepared with inherent crystal lattice strain, which is derived from the Ir‐O−Mn mismatch at the interface. The oxidation state of iridium is higher than IrIV, revealing the electron transfer to the substrate. On account of the crystal lattice distortion and electronic manipulations being favorable to the oxygen evolution reaction (OER), the as‐synthesized composite exhibited excellent OER activity and stability. The improved catalytic nature was followed by enhancement in the electrochemical active surface area, mass specific activity, and intrinsic activity. Moreover, the Tafel slope of 42 mV dec−1 reveals better reaction kinetics for IrO2/Mn−Co (2 : 1)‐birnessite than many previously reported catalysts despite the low precious noble metal content in the as‐synthesized composite. Conclusively, we have proven that the strain engineering holds vital importance in forming catalyst‐support interaction and rational design of catalysts.
Towards Extended Zinc Ethylsulfinate Networks by Stepwise Insertion of Sulfur Dioxide into Zn−C Bonds
Authors: Tulewicz Adam , Wolska‐Pietkiewicz Małgorzata , Jędrzejewska Maria , Ratajczyk Tomasz , Justyniak Iwona , Lewiński Janusz 
Published: August 2019

AbstractThe ability to utilize polluting gases in efficient metal‐mediated transformations is one of the most pressing challenges of modern chemistry. Despite numerous studies on the insertion of SO2into M−C bonds, the chemical reaction of SO2with organozinc compounds remains little explored. To fill this gap, we report here the systematic study of the reaction of Et2Zn towards SO2as well as the influence of Lewis bases on the reaction course. Whereas the equimolar reaction provided a novel example of a structurally characterized organozinc ethylsulfinate compound of general formula [(EtSO2)ZnEt]n, the utilization of an excess of SO2led to the formation of the zinc(II) bis(ethylsulfinate) compound [(EtSO2)2Zn]n. Moreover, we have discovered that the presence of N‐donor Lewis bases represents an efficient tool for the preparation of extended zinc ethylsulfinates, which in turn led to the formation of 1D [(EtSO2ZnEt)2(hmta)]nand 2D [((EtSO2)2Zn)2(DABCO)]n⋅solv (in which solv=THF or toluene, hmta= hexamethylenetetramine, and DABCO=1,4‐diazabicyclo[2.2.2]octane) coordination polymers, respectively. The results of DFT calculations on the reactivity of SO2towards selected Zn−C reactive species as well as the role of an N‐donor Lewis base on the stabilization of the transition states complement the discussion.
Synthesis of Pyridyl and N‐Methylpyridinium Analogues of Rosamines: Relevance of Solvent and Charge on Their Photophysical Properties
Authors: Leite Andreia , Cunha‐Silva Luís , Silva Daniel , Lobo Ferreira Ana I. M. C. , Santos Luís M. N. B. F. , Cardoso Inês C. S. , Silva Vera L. M. , Rangel Maria , Silva Ana M. G. 
Published: August 2019

AbstractA series of pyridyl analogues of rosamines was prepared by employing two methodologies: (i) the conventional‐heating condensation of a pyridinecarboxaldehyde with 3‐(diethylamino)phenol in propionic acid, and (ii) the novel ohmic‐heating assisted condensation under “on water” conditions, followed by oxidation. The 4‐pyridyl substituted rosamine was further converted into the N‐methylpyridinium derivative through N‐alkylation using methyl iodide. The influence of the position and cationization of the nitrogen atom of the pyridyl ring in the physicochemical properties of fluorophores was investigated by 1H, 13C, 15N NMR spectral analysis, UV/Vis and fluorescence spectroscopy, single‐crystal X‐ray diffraction (4‐pyridyl and N‐methylpyridinium derivatives) and thermal‐behavior analysis. Curiously, for ethanolic solutions of 4‐pyridyl and N‐methylpyridinium derivatives an extinction of color and fluorescence over time was observed. This phenomenon was further studied and the data revealed that it is the result of nucleophilic addition of ethoxide ion to the central 9‐position of the xanthene. The kinetics of the process is slower for the 4‐pyridyl rosamine, which emphasizes the importance of the charge in the N‐methylpyridinium analogue in the reactivity of the molecule towards a nucleophile agent. This phenomenon is reversible, meaning that the compounds can be rapidly recovered by decreasing the pH, opening new avenues in the sensing applications of this class of rosamines.
Messing – Konfliktstoff im Aachener Raum
Authors: Offermanns Heribert 
Published: August 2019

Rohstoffe bergen nicht erst heute politischen Konfliktstoff: Messing beziehungsweise dessen Legierungsbestandteil Zink sorgte im Aachener Raum gleich zweimal für Kontroversen. So wurde im 16. Jahrhundert Stolberg zum Zentrum der Messingerzeugung, weil die protestantischen Kupfermeister im streng katholischen Aachen durch Zunftregularien behindert wurden und man Ihnen in der Zeit der Aachener Religionsunruhen ab etwa 1530 gar das Zunftrecht entzog.Das zweite Ereignis führte im 19. Jahrhundert zur Bildung der Mikronation „Neutral Moresnet“, die immerhin 103 Jahre Bestand hatte. Die wenig bekannte Kuriosität war das Ergebnis der Auseinandersetzung zwischen Preußen und den Niederlanden beim Wiener Kongress 1815 um die Zuordnung der Ortschaft Kelmis (auch La Calamine bzw. Altenburg) mit Europas profitabelster Zinkmine.
Stimuli‐Responsive Polypeptide‐Based Supramolecular Hydrogels Mediated by Ca2+ Ion Cross‐Linking
Authors: Meng Fandong , Sun Jing , Li Zhibo 
Published: August 2019

Summary of main observation and conclusionHydrogels cross‐linked with metal ions (e.g., Ca2+) represent a promising class of bioinspired materials for a wide range of biomedical applications. Herein, we report a facile approach to obtain cross‐linked stimuli‐responsive supramolecular polypeptide hydrogels. The hydrogel is prepared by statistical/block copoly(L‐glutamate)s based copolymers cross‐linked with calcium ions. The incorporation of both oligo(ethylene glycol) (OEG) and glutamic acid residues in the polymer offers thermal‐responsive property and cooperative binding sites with Ca2+ ions simultaneously. We present a systematic study of the influence of calcium ions on the gelation behaviors of these copolymers. It is observed that the addition of calcium ions induces the formation of hydrogels. Increasing the concentration of Ca2+ ions can significantly enhance the gelation ability of the samples as indicated by increased storage modulus and decreased sol‐to‐gel transition temperature (Tsol‐gel). We further demonstrate that the influence of monomer distribution on the gelation behavior is trivial, which is possibly due to similar morphology of the self‐assemblies. The obtained hydrogels exhibit thermal‐responsive gelation behavior mediated by ion cross‐linking, which enables them to be ideal smart hydrogel system for many applications.
TARNN: Task‐aware autonomic resource management using neural networks in cloud environment
Authors: Sujaudeen N. , Mirnalinee T.T. 
Published: August 2019

SummaryResource management is one of the major issue in cloud computing for IaaS. Among several resource management problems allocation, provisioning, and requirement mapping directly affects the performance of cloud. Resource allocation signifies assignment of available resources to different workloads in an economically optimal manner. Precise and accurate allocation is required to maximize the usage of resources. Current method of task allocation do not take previously acquired knowledge, type of the tasks, and the QoS parameters altogether into account in the allocation phase, and it has not been trained for different set of tasks. Furthermore, the self‐optimization of the autonomous system fails to address the task type and identify the relationship between tasks and the resource demands along with its requirements. Important aspects like task management and resource utilization are the primary factors to consider for such a characteristic. This paper will present a novel autonomic resource management framework named task‐aware autonomic resource allocation strategy using neural networks (TARNN), which aims to use knowledge about the behavior of the task over an extended period of time and use this knowledge to allocate resources when a similar task is submitted in future by the user. To effectively do the allocation, a neural network–based approach is adopted to classify the tasks appropriately based on the task parameters, task type, and QoS parameters and allocate the resource optimally for a new task autonomously, without the intervention of the cloud provider. Moreover, to identify and improve the relationship of the tasks with the resources in the context of scheduling, we have proposed a novel modified Particle Swarm Optimization (m‐PSO) algorithm to schedule the tasks to resources based on resource demands. In TARNN, we have separated the collected synthetic dataset into 60‐40 ratio for training and testing purposes. We found that the neural network–based approach provides almost 80% accurate classification w.r.t. task type and QoS parameters. We have also compared our results with support vector machine (SVM) and got 69% accuracy. Since the tasks are classified appropriately, the occurrence of resource reconfiguration and VM migration is drastically reduced. Hence, our system provides better allocation of resources and schedules the tasks appropriately to the resources, thereby improving the performance of the cloud.
Experimental Investigation of the Dynamical Modes of Four Pulse‐Coupled Chemical Micro‐Oscillators
Authors: Proskurkin Ivan S. , Smelov Pavel S. , Vanag Vladimir K. 
Published: August 2019

AbstractWe present an experimental system of four identical microreactors (MRs) in which the photosensitive oscillatory Belousov‐Zhabotinsky (BZ) reaction occurs. The inhibitory coupling of these BZ MRs is organized via pulses of light coming to each MR from a computer projector. These pulses are induced by spike(s) in other MR(s) of the same network. Time delay between the spike in one BZ MR and the pulsed perturbation of the other BZ MR(s), the amplitude of light pulses, their duration, and the connectivity of the MRs are controlled by the LabVIEW software. Recording the dynamics of the BZ reaction in the MRs via a microscope equipped with a CCD camera, we observe all the main dynamical modes of our network of MRs, which are the IP (in‐phase), AP (anti‐phase), W (walk), and WR (walk reverse) for the unidirectional coupling, and the IP, two‐cluster, three‐cluster, and splay modes for the all‐to‐all coupling. Our software detects all the modes of the network automatically and makes it possible to switch between them on demand using a few special “switching” pulses. As the result of the present work, the experimental implementation of the adaptive behaviour of the pulse‐coupled chemical micro‐oscillator networks becomes available.
Acceptorless Alcohol Dehydrogenation Catalysed by Pd/C
Authors: Nicolau Guillermo , Tarantino Giulia , Hammond Ceri 
Published: August 2019

AbstractAlthough the selective oxidation of alcohols to carbonyl compounds is a critical reaction, it is often plagued by several challenges related to sustainability. Here, the continuous, acceptorless dehydrogenation of alcohols to carbonyl compounds over heterogeneous catalysts was demonstrated, in the absence of oxidants, bases or acceptor molecules. In addition to improving selectivity and atom efficiency, the absence of an acceptor resulted in the co‐production of molecular H2, a clean energy source, and permitted dehydrogenation to proceed at >98 % selectivity at turnover frequency values amongst the highest in the literature. Moreover, excellent durability was observed during continuous operation over 48 h, reaching space‐time yields of 0.683 g(product) mL−1 h−1, better than the state of the art by over two orders of magnitude. Alongside these breakthroughs, the basic kinetic parameters of the reaction were also determined, allowing some of the elementary reaction steps to be identified.
Cervical high‐grade squamous intraepithelial lesion on conventional cytology: Cytological patterns, pitfalls, and diagnostic clues
Authors: Gupta Ruchika , Sodhani Pushpa , Mehrotra Ravi , Gupta Sanjay 
Published: August 2019

AbstractBackgroundConventional cervical cytology, which has a relatively low sensitivity in diagnosing high‐grade lesions as compared to liquid‐based cytology, is still being practiced in low resource settings. This study aimed at elucidating various cytomorphological patterns, pitfalls, and subtle clues to high‐grade squamous intraepithelial lesion (HSIL) diagnosis on conventional cervical cytology through cytologic‐histologic correlation.MethodsCervical biopsies reported as CIN2/3 were correlated with their corresponding Pap smears over a 10‐year period to determine the frequency of undercalls. For characterization of overcalls, cervical smears reported as HSIL and their corresponding biopsies during the same period were correlated. The discordant cases in both the groups were reviewed for problematic patterns and pitfalls in cytological diagnosis of HSIL.ResultsOf the 142 biopsies with CIN2/3, 29 (20.4%) cases had been undercalled on cytology. Sixteen (16) of these could be reclassified as ASC‐H/HSIL on smear review. Smears showing predominant cells of low‐grade squamous intraepithelial lesion grade with a few HSIL cells and those with small abnormal cells in an atrophic background formed the main confounders for HSIL underdiagnosis.Thirteen (13) out of 130 (10%) Pap smears called as HSIL, where biopsy diagnosis was less than CIN2, were labeled as overcalls. Atypical metaplasia, hyperchromatic crowded groups, and reparative changes constituted the major diagnostic pitfalls on cytology. A diligent smear review helped to reduce the undercall and overcall rates to 9.1% and 2.3%, respectively.ConclusionAwareness of morphological challenges in interpretation of HSIL among cytopathologists practicing cervical cytology would assist in reducing the diagnostic errors and ensure better patient management.
A longitudinal birth cohort study of early life conditions, psychosocial factors, and emerging adolescent sexual orientation
Authors: Xu Yin , Norton Sam , Rahman Qazi 
Published: August 2019

AbstractThis study tested whether previously reported associations between early life factors and later adolescent sexual orientation could be replicated in another prospective birth cohort, the UK Millennium Cohort Study (MCS). We used data on 9,795 youth from the MCS. Emerging sexual orientation was assessed using measures of sexual attraction to males and females in separate items at 14 years. Factors including birthweight, breastfeeding, sibling composition, parental ages, maternal psychopathology, parent‐child relationship, and contextual risks were separated into three developmental periods: prenatal (n = 5 factors), before 7 years (n = 6 factors), and after 7 years (n = 5 factors). We controlled for handedness as a putative marker of prenatal androgen exposure and the possibility of mischievous responding statistically. Girls with greater maternal psychological distress since age 7 and greater pubertal body mass index were more likely to be nonheterosexual but the effect sizes were very small. Among boys there were no significant associations between any early life conditions and later sexual orientation. However, focusing on effect sizes rather than significance levels, there were small associations between preterm birth and nonheterosexuality. The results offer further evidence that psychosocial influences in the development of adolescent sexual orientation are weak or non‐existent.
Relative deprivation: A mechanism for the ostracism–aggression link
Authors: Jiang Tonglin , Chen Zhansheng 
Published: August 2019

AbstractIn five studies, we tested whether ostracism triggers feelings of relative deprivation and whether relative deprivation accounts for the impact of ostracism on aggression. Relative to participants who recalled either inclusive or neutral experiences, participants who recalled ostracism experiences reported higher levels of relative deprivation (Study 1). Furthermore, the feeling of relative deprivation mediated the effect of ostracism on aggression (Studies 2, 3a, and 3b). Framing ostracism as an experience of nondeprivation weakened the connection between ostracism and aggression (Study 4), which suggests an effective way of reducing aggression following an ostracism experience. Together, these findings highlight the significance of relative deprivation in shaping people's responses toward ostracism.
Towards robust cell culture processes — Unraveling the impact of media preparation by spectroscopic online monitoring
Authors: Brunner Matthias , Brosig Philipp , Losing Monika , Kunzelmann Marco , Calvet Amandine , Stiefel Fabian , Bechmann Jan , Unsoeld Andreas , Schaub Jochen 
Published: August 2019

AbstractBiopharmaceutical manufacturing processes can be affected by variability in cell culture media, e.g. caused by raw material impurities. Although efforts have been made in industry and academia to characterize cell culture media and raw materials with advanced analytics, the process of industrial cell culture media preparation itself has not been reported so far. Within this publication, we first compare mid‐infrared and two‐dimensional fluorescence spectroscopy with respect to their suitability as online monitoring tools during cell culture media preparation, followed by a thorough assessment of the impact of preparation parameters on media quality. Through the application of spectroscopic methods, we can show that media variability and its corresponding root cause can be detected online during the preparation process. This methodology is a powerful tool to avoid batch failure and is a valuable technology for media troubleshooting activities. Moreover, in a design of experiments approach, including additional liquid chromatography–mass spectrometry analytics, it is shown that variable preparation parameters such as temperature, power input and preparation time can have a strong impact on the physico‐chemical composition of the media. The effect on cell culture process performance and product quality in subsequent fed‐batch processes was also investigated. The presented results reveal the need for online spectroscopic methods during the preparation process and show that media variability can already be introduced by variation in media preparation parameters, with a potential impact on scale‐up to a commercial manufacturing process.
Joint Toxicity of Acetamiprid and Co-Applied Pesticide Adjuvants on Honeybees under Semifield and Laboratory Conditions
Authors: Chen Lang , Yan Qingping , Zhang Jinzhen , Yuan Shankui , Liu Xingang 
Published: August 2019

Abstract
The evaluation of adverse effects of pesticides, pesticide adjuvants, and their combination on honeybees is hampered by a lack of colony-level bioassays reflecting productivity and survival over longer term exposure. In the present study, the joint toxicity of acetamiprid and co-applied pesticide adjuvants (N-methyl pyrrolidone [NMP], Silwet L-77, and Triton X-100) to honeybees was determined both in the laboratory and under semifield conditions. The 3 pesticide adjuvants caused no significant acute toxicity to honeybees by themselves; however, in the laboratory tests, they significantly increased the acute contact toxicity of acetamiprid to honeybees. For the semifield tests, in the T2 group (treatment with 5% acetamiprid soluble concentrate [SL] containing 10% Silwet L-77), the mortality of honeybees was significantly higher (p &lt; 0.05) than that of the blank control on the fourth day after application (DAA + 4), that of the T1 group (5% acetamiprid SL containing 10% NMP) on DAA + 4 and DAA + 7 (seventh day after application), and that of the T3 group (5% acetamiprid SL containing 10% Triton X-100) on DAA + 4. Furthermore, the flight intensity in the T2 group on DAA + 7, the colony intensity on DAA + 28 (28th day after application), and the mean areas covered by pupae on DAA + 15 (15th day after application) were significantly lower (p &lt; 0.05) than those of the blank control. Therefore, pesticide adjuvants may be important factors in increasing the toxicity of neonicotinoids to honeybees. Measures should be taken to manage the environmental risk of pesticide adjuvants during the process of formulation development and registration. Environ Toxicol Chem 2019;38:1940–1946. © 2019 SETAC.
Forecasting of electricity price through a functional prediction of sale and purchase curves
Authors: Shah Ismail , Lisi Francesco 
Published: August 2019

AbstractThis work proposes a new approach for the prediction of the electricity price based on forecasting aggregated purchase and sale curves. The basic idea is to model the hourly purchase and the sale curves, to predict them and to find the intersection of the predicted curves in order to obtain the predicted equilibrium market price and volume. Modeling and forecasting of purchase and sale curves is performed by means of functional data analysis methods. More specifically, parametric (FAR) and nonparametric (NPFAR) functional autoregressive models are considered and compared to some benchmarks. An appealing feature of the functional approach is that, unlike other methods, it provides insights into the sale and purchase mechanism connected with the price and demand formation process and can therefore be used for the optimization of bidding strategies. An application to the Italian electricity market (IPEX) is also provided, showing that NPFAR models lead to a statistically significant improvement in the forecasting accuracy.
Isolation and identification of the spoilage microorganisms in Sichuan homemade Paocai and their impact on quality and safety
Authors: Ao Xiaolin , Yan Junling , Chen Ceng , Zhao Jiawei , Liu Shuliang , Zhao Ke , Chen Shujuan , He Li 
Published: August 2019

AbstractThe spoilage microbiology in Paocai (fermented vegetables) affects not only the quality of this popular traditional Chinese food but also its safety. This study aimed to isolate and identify the microorganisms commonly leading to spoilage in homemade Paocai from the Sichuan region and, further, to scientifically assess the impact of these microorganisms on product quality and safety. Seven putrid Paocai samples were collected from 7 families in different Sichuan cities. From these, 45 strains were isolated by means of a nutrient agar medium and rose bengal agar. All of the 22 strains (5 fungi and 17 bacteria) with different colonial morphologies and corruption phenomenon in Paocai were determined 16S rDNA/18S rDNA gene sequences. Bacteria were identified as Bacillus spp. (16 strains) and Staphylococcus saprophyticus (1 strain), while the 5 fungi were identified as Candida spp. (3 strains), Kodamaea ohmeri (1 strain), and Geotrichum candidum (1 strain). Based on the results of identification, 7 representative strains of different species were determined as the spoilage characteristics in paocai. All the representative strains metabolized to produce nitrite. Strain SPF21 (K. ohmeri) has a particularly serious impact on the crunchiness of Paocai; however, strains SPF19 (Bacillus subtilis) and SPF21 have the greatest influence on its color. All five of the fungi were seen to form a film on the surface of the Paocai, with SPF5 (G. candidum) exerting the most extreme influence. The growth characteristics in the broth showed that all the representative strains investigated metabolized most of the carbohydrates and were able to tolerate the salinity and acidity of the ordinary homemade Paocai. Moreover, these strains were found to have obvious impacts on the volatile components of Paocai, especially SPF2 and SPF8, with higher dimethyl disulfide and dimethyl trisulfide, which were found to have a pungent odor when highly concentrated.