bluuebunny/crossref_metadata_2025_split huggingface dataset:
Steric and Electronic Effects of Phosphane Additives on the Catalytic Performance of Colloidal Palladium Nanoparticles in the Semi‐Hydrogenation of Alkynes
Authors: Staiger Lena , Kratky Tim , Günther Sebastian , Tomanek Ondrej , Zbořil Radek , Fischer Richard W. , Fischer Roland A. , Cokoja Mirza 
Published: September 2020

AbstractWe report on the influence of phosphanes on the catalytic activity and selectivity of colloidal, tetraoctylammonium bromide (TOAB) stabilised palladium nanoparticles (NPs) in the semi‐hydrogenation of alkynes to olefins. Full characterisation of the catalytic system (HRTEM, EDX, XPS, IR, NMR) confirmed the formation of spherical particles with a narrow size distribution (1.9±0.5 nm). The catalytic performance of the Pd NPs in the semi‐hydrogenation of 1‐octyne, 2‐octyne and phenylacetylene to the respective olefins and the influences on the selectivity was investigated. The system shows high activities and selectivities at mild conditions (0 °C and 1.0 bar H2 pressure). It was shown that generally, phosphanes lead to an increase of both the reaction rate and selectivity towards the olefin where both steric and electronic effects of the ligand play a crucial role for the catalyst performance. A moderate steric demand of the ligand with a rather weak σ‐donating ability turned out to give the highest catalytic performance.
Water‐Gas Shift Reaction in a Microchannel Ni‐based Catalytic Coated Reactor: Effect of Solvents
Authors: Bazdar Mahsa , Irankhah Abdullah 
Published: September 2020

AbstractMedium‐temperature shift (MTS) reaction was investigated in a microchannel reactor using the electrophoretic deposition (EPD) method to coat porous layers of Ni‐K/CeO2 catalyst on stainless‐steel plates. The electrolyte suspensions of the catalyst were prepared in isopropanol, ethanol, methanol, and acetone as solvents. All EPD experiments were carried out under similar conditions (i.e., for a contact time of 3 min, at a voltage of 140 V, and in the presence of 0.3 wt % polyethylenimine as the dispersant). The effect of the different solvents on the coated catalytic layers was studied using Fourier transform infrared spectroscopy, X‐ray diffraction, scanning electron microscopy, and 2D and 3D optical imaging. The experimental results proved that the best performance for the MTS reaction in the plate microreactor was achieved with isopropanol as the solvent.
Thermal Performance Analysis of Ionic Liquid‐Pretreated Spent Coffee Ground Using Aspen Plus®
Authors: Saeed Sana , Shafeeq Amir , Raza Waseem , Ijaz Aamir , Saeed Saad 
Published: September 2020

AbstractThermal analysis and gasification study of spent coffee ground (SCG) pretreated with ionic liquids (ILs) is presented. Four ILs, namely, 1‐butyl‐3‐methylimidazolium chloride ([Bmim][Cl]), 1‐ethyl‐3‐methylimidazolium chloride ([Emim][Cl]), tributylmethylammonium chloride ([N1444][Cl]), and trihexyltetradecylphosphonium chloride ([P66614][Cl]), were investigated. The pretreatment was followed by thermogravimetric analysis. The syngas composition was computed using an equilibrium‐based steam‐O2 gasification model developed in Aspen Plus® by varying gasifier temperature and steam/biomass ratio. All ILs reduced the ash content, enhanced the volatility as well as the higher heating value of SCG. IL pretreatment also decreased CO2 and CH4 contents showing environmental benefits of using ILs.
A Superior Flame‐Resistant and Wide‐Temperature Adaptable Yarn Lithium‐Ion Battery with a Highly Conductive Ionogel Electrolyte
Authors: Ma Zhiyuan , Liu Jie , Fei Jinbo , He Ning , Wang Panpan , Wang Jiaqi , Chen Zhe , Ji Zhenyuan , Wang Hua , Ling Wei , Nie Ningyuan , Hu Mengmeng , Huang Yan 
Published: September 2020

AbstractYarn batteries are extensively used in portable, flexible and wearable electronics due to their tiny volume, good flexibility and maximum compatibility with textiles. However, both the flammable organic electrolyte and the hydrogel electrolyte are not capable of solving safety issues. In this work, a poly(ionic liquid)(PIL)‐based ionogel was synthesized as an electrolyte with both superior flame resistance and high ionic conductivity. The flexible Li4Ti5O12//LiFePO4 yarn battery based on the ionogel not only has the safety characteristic of incombustibility, but also guarantees stable electrochemical properties under cold and hot weather conditions.
Stepwise Adsorption of Alkoxy‐Pyrene Derivatives onto a Lamellar, Non‐Porous Naphthalenediimide‐Template on HOPG
Authors: Heideman G. Henrieke , Berrocal José Augusto , Stöhr Meike , Meijer E. W. , Feringa Ben L. 
Published: September 2020

AbstractThe development of new strategies for the preparation of multicomponent supramolecular assemblies is a major challenge on the road to complex functional molecular systems. Here we present the use of a non‐porous self‐assembled monolayer from uC33‐NDI‐uC33, a naphthalenediimide symmetrically functionalized with unsaturated 33 carbon‐atom‐chains, to prepare bicomponent supramolecular surface systems with a series of alkoxy‐pyrene (PyrOR) derivatives at the liquid/HOPG interface. While previous attempts at directly depositing many of these PyrOR units at the liquid/HOPG interface failed, the multicomponent approach through the uC33‐NDI‐uC33 template enabled control over molecular interactions and facilitated adsorption. The PyrOR deposition restructured the initial uC33‐NDI‐uC33 monolayer, causing an expansion in two dimensions to accommodate the guests. As far as we know, this represents the first example of a non‐porous or non‐metal complex‐bearing monolayer that allows the stepwise formation of multicomponent supramolecular architectures on surfaces.
Transition Metal Catalyzed Enantioselective Borylative Cyclization Reactions
Authors: Ji Yuqi , Zhang Min , Xing Mimi , Cui Huanhuan , Zhao Qian , Zhang Chun 
Published: September 2020

AbstractDue to the significance of corresponding products, enantioselective borylative cyclization reactions have been studied intensively in recent years. Many groups have developed efficient methods to transform unsaturated system into asymmetric cyclic organoboron compounds with the ring‐size range from three‐membered to six‐membered in general. Notably, in some cases, fused rings which contain more than two contiguous chiral centers could be obtained by this kind of strategies. This review summarized and reviewed the recent advances in this field and classified these work according to the species of metal catalysts.
Synthesis, Bioactivity Evaluation,3D‐QSAR, and Molecular Docking of Novel Pyrazole‐4‐carbohydrazides as Potential Fungicides Targeting Succinate Dehydrogenase
Authors: Jiao Jian , Chen Min , Sun Shengxin , Si Weijie , Wang Xiaobin , Ding Weijie , Fu Xincan , Wang An , Yang Chunlong 
Published: September 2020

Main observation and conclusionTo screen novel antifungal agents targeting the succinate dehydrogenase (SDH), a series of pyrazole‐4‐carbohydrazides were rationally designed, synthesized, and characterized under the guidance of the structures of succinate dehydrogenase inhibitors (SDHIs). Bioassay resultsin vitroindicated that most of the target compounds exhibited excellent activity againstRhizoctonia solani(R. solani),Fusarium graminearum(F. graminearum),Botrytis cinerea(B. cinerea) andColletotrichum capsica(C. cinerea). Compounds 7d, 7l, 7t and 7x were identified as the most promoting candidates, and their anti‐F. graminearumEC50values were as low as 0.56, 0.47, 0.46 and 0.49 μg/mL, respectively, presenting the similar antifungal activity as that of the commonly used fungicide carbendazim (0.43 μg/mL). The 3D‐QSAR models were built for a systematic structure‐activity relationship profile to explore more potent pyrazole‐4‐carbohydrazides as novel fungicides. Molecular docking of 7d, 7l and 7r with SDH was performed to reveal the binding modes in active pocket and analyze the interactions between the molecules and the SDH protein.
The Fate of Lead (Pb) in Multitrophic Interactions Among Bacteria, Fungi, and Bacterivorous Soil Nematodes
Authors: Iqbal Nadeem , Ahmed Saba , Pervez Arshid , Nazir Rashid , Tang Xiaoyan , Irshad Usman 
Published: September 2020

AbstractContamination of potentially toxic metals poses threats to living organisms due to prolonged existence in an ecosystem. The effects of toxic metals on soil microbes have broadly been reported but the study on interactions among soil micro‐ and macro‐organisms under metal stress needs to be elaborated. In current study, the immobilization of lead (Pb) is investigated by using five resistant microbial strains; (2) Bacillus cereus, (1) Bacillus subtilis, (1) Brevundimonas naejangsanensis, and (1) fungal strain Fusarium equiseti isolated from contaminated soil of Hattar, Pakistan. Bacterial and fungal strains and their consortia are tested in the presence/absence of nematodes for Pb immobilization in a medium containing 250 mg L−1 Pb. Single bacterial strains immobilize Pb up to 72%, while in the presence of nematodes, bacterial immobilization potential decreases. An increased Pb immobilization up to 185 mg L−1 is found when bacterial and fungal consortia are inoculated with nematodes. The maximum 80% Pb immobilization is found in bacterial–bacterial combinations with nematodes. This study, reveals that inoculation of bacterial–bacterial consortia in the presence of nematodes enhanced bacterial growth via feeding resulting in higher Pb immobilization. These resistant microbial strains can thus be used to treat contaminated sites for better ecosystem functioning.
Selected 1,3‐Benzodioxine‐Containing Chalcones as Multipotent Oxidase and Acetylcholinesterase Inhibitors
Authors: Jeong Geum Seok , Kaipakasseri Swafvan , Lee Sang Ryong , Marraiki Najat , Batiha Gaber El‐Saber , Dev Sanal , Palakkathondi Ashique , Kavully Fathima Sahla , Gambacorta Nicola , Nicolotti Orazio , Mathew Bijo , Kim Hoon 
Published: September 2020

AbstractChalcones are considered effective templates for the development of monoamine oxidase (MAO) and cholinesterase (ChE) inhibitors. The present work describes the syntheses of selected 1,3‐benzodioxine‐containing chalcones (CD3, CD8 and CD10), and their inhibitory activities against MAO‐A, MAO‐B, acetylcholinesterase (AChE), and butyrylcholinesterase (BChE). Compound CD8 most potently inhibited MAO‐B with an IC50 value of 0.026 μM, followed by CD10 and CD3 (1.54 and 1.68 μM, respectively). CD8 potently and non‐selectively inhibited MAO‐A (IC50 value of 0.023 μM). On the other hand, CD10 and CD8 inhibited AChE with IC50 values of 5.40 and 9.57 μM, respectively. Kinetics and reversibility experiments showed that all synthesized molecules were competitive and reversible inhibitors, and the Ki values of CD8 for MAO‐A and MAO‐B were 0.018 and 0.0019 μM, respectively. By in vitro and in silico analyses, all compounds were found to have high passive human gastrointestinal absorptions, blood‐brain barrier permeabilities, and non‐toxicities. Molecular docking simulations revealed that docking affinity of each compound for MAO‐B was higher than that for MAO‐A. The results indicate that CD8 is a potent non‐selective MAO inhibitor, and CD10 is an effective selective MAO‐B inhibitor, and both possess AChE inhibitory activity. Therefore, we suggest that CD8 and CD10 be considered potential dual‐targeting inhibitors of MAO and AChE for the treatment of various neurodegenerative disorders.
Association between postoperative complications and long‐term oncologic outcomes following total laryngectomy: 10‐year experience at MD Anderson Cancer Center
Authors: Boukovalas Stefanos , Goepfert Ryan P. , Smith J. Michael , Mecham Elise , Liu Jun , Zafereo Mark E. , Chang Edward I. , Hessel Amy C. , Hanasono Matthew M. , Gross Neil D. , Yu Peirong , Lewin Jan S. , Lewis Carol M. , Diaz Eduardo M. , Weber Randal S. , Myers Jeffrey N. , Offodile Anaeze C. 
Published: September 2020

BackgroundPostoperative complications are an independent predictor of poor survival across several tumors. However, there is limited literature on the association between postoperative morbidity and long‐term survival following total laryngectomy (TL) for cancer.MethodsWe conducted a retrospective review of all TL patients at a single institution from 2008 to 2013. Demographic and clinical data were collected and analyzed, including postsurgical outcomes, which were classified using the Clavien‐Dindo system. Multivariable Cox regression analyses were performed to identify factors associated with overall survival (OS) and disease‐free survival (DFS).ResultsA total of 362 patients were identified. The mean age was 64 years, and the majority of patients were male (81%). The median follow‐up interval was 21 months. Fifty‐seven percent of patients had received preoperative radiation, and 40% had received preoperative chemotherapy. Fifty‐seven percent of patients underwent salvage TL, and 60% underwent advanced reconstruction (45% free flap and 15% pedicled flap). A total of 136 patients (37.6%) developed postoperative complications, 92 (25.4%) of which were major. Multivariable modeling demonstrated that postoperative complications independently predicted shorter OS (hazard ratio [HR], 1.50; 95% CI, 1.16‐1.96; P = .002) and DFS (HR, 1.36; 95% CI, 1.05‐1.76; P = .021). Other independent negative predictors of OS and DFS included positive lymph node status, preoperative chemotherapy, comorbidity grade, and delayed adjuvant therapy. Severity of complication and reason for TL (salvage vs primary) were not shown to be predictive of OS or DFS.ConclusionPostoperative complications are associated with worse long‐term OS and DFS relative to uncomplicated cases. Patient optimization and timely management of postoperative complications may play a critical role in long‐term survival.
Novel circular RNA 2960 contributes to secondary damage of spinal cord injury by sponging miRNA‐124
Authors: Chen Jun , Fu Bin , Bao Jing , Su Rong , Zhao Haoning , Liu Zhongtao 
Published: September 2020

AbstractRecent studies have shown that circular RNAs (circRNAs) are involved in many human diseases, but their roles in secondary damage after spinal cord injury (SCI) remain unclear. In the current study circRNA sequencing was performed in the damaged tissues of SCI rats on the seventh day after injury, and related molecular mechanisms were investigated. Quantitative PCR validations of molecules that exhibited significantly altered expression in SCI mice were performed. Gene ontology and Kyoto Encyclopedia of Genes and Genomes analyses were conducted to assess differentially expressed circRNAs. A novel circRNA‐2960 was the most significantly upregulated in the SCI group. It could downregulate its target molecule miRNA‐124, then exacerbate the inflammatory response and induce apoptosis at the lesion site. Disrupting circRNA‐2960 expression promoted recovery of tissues affected by secondary SCI damage. The results of the present study may provide new insight into the mechanisms of secondary injury in SCI, and a new molecular marker for the diagnosis and treatment of SCI.
Therapy‐related chronic myeloid leukemia in a patient receiving peptide receptor radionuclide therapy for pancreatic neuroendocrine tumor
Authors: Kucukyurt Selin , Yagiz Ozogul Yeliz , Ercaliskan Abdulkadir , Kabasakal Levent , Eskazan Ahmet Emre 
Published: September 2020

AbstractBackgroundTherapy‐related leukemia is a well‐recognized clinical syndrome. Peptide receptor radionuclide therapy (PRRT) is a modern therapeutic approach using radionuclide combined with somatostatin analog peptide for inoperable or metastatic neuroendocrine tumors.AimsHematologic toxicities including late‐onset myeloid neoplasms have been reported after PRRT; however, therapy‐related chronic myeloid leukemia (TR‐CML) following PRRT is a relatively rare entity.MethodsWe present a 64‐year‐old male who received PRRT for pancreas neuroendocrine tumor and then developed TR‐CML 60 months after the initiation of PRRT. The patient responded well to imatinib therapy.ResultsPatients with TR‐CML generally have similar tyrosine kinase inhibitor responses and outcomes when compared to de novo cases.ConclusionsThe physicians should be aware of the short‐ and long‐term hematologic toxicities of PRRT including TR‐CML, and careful monitoring is mandatory in this group of patients.
NLPHub: An e‐Infrastructure‐based text mining hub
Authors: Coro Gianpaolo , Panichi Giancarlo , Pagano Pasquale , Perrone Erico 
Published: September 2020

SummaryText mining involves a set of processes that analyze text to extract high‐quality information. Among its large number of applications, there are experiments that tackle big data challenges using complex system architectures. However, text mining approaches are neither easy to discover and use nor easily combinable by end‐users. Furthermore, they should be contextualized within new approaches to science (eg, Open Science) that ensure longevity and reuse of methods and results. This article presents NLPHub, a distributed system that orchestrates and combines several state‐of‐the‐art text mining services that recognize spatiotemporal events, keywords, and a large set of named entities. NLPHub adopts an Open Science approach, which fosters the reproducibility, repeatability, and reusability of methods and results, by using an e‐Infrastructure supporting data‐intensive Science. NLPHub adds Open Science‐compliance to the connected services through the use of representational standards for services and computations. It also manages heterogeneous service access policies and enables collaboration and sharing facilities. This article reports a performance assessment based on an annotated corpus of named entities, which demonstrates that NLPHub can improve the performance of the single‐integrated processes by cleverly combining their output.
An empirical analysis of graph‐based linear dimensionality reduction techniques
Authors: Al‐Omairi Lamyaa J. , Abawajy Jemal , Chowdhury Morshed U. , Al‐Quraishi Tahsien 
Published: September 2020

SummaryMany emerging applications such as social networks have prompted remarkable attention in graph data analysis. Graph data is typically high‐dimensional in nature, and dimensionality reduction is critical regarding storage, analysis, and querying of such data efficiently. Although there are many dimensionality reduction methods, it is not clear to what extent the performances of the various dimensionality reduction techniques differ. In this article, we review some of the well‐known linear dimensionality reduction methods and perform an empirical analysis of these approaches using large multidimensional graph datasets. Our results show that in linear unsupervised learning methods, the principal component analysis, singular value decomposition, and neighborhood preserving embedding methods achieve better retrieval data performance than other methods of the statistical information category, dictionary methods, and embedding methods, respectively. Regarding supervised learning methods, the experimental results demonstrate that linear discriminant analysis and partial least squares presented almost similar results.
Location privacy preservation through kernel transformation
Authors: Zhang Lefeng , Song Guanghua , Zhu Danyang , Ren Wei , Xiong Ping 
Published: September 2020

SummaryThe frequent data leak scandals of recent years indicate that service providers who hold personal data may not be reliable as they claim. We assert that sensitive user information must be sanitized locally before it is sent to service providers if it is to be protected. The LPPK privacy‐preserving framework presented in this article is a local sanitization scheme, for location‐based services (LBSs). It applies a fog‐computing structure in which a private map is generated by the LBS server with kernel transformation for each user. A fog device then provides location services for each user according to the private map. Without colluding, neither the LBS server nor the fog device can deduce a user's real location. Experiments conducted on real‐world data sets demonstrate that LPPK delivers sufficient query accuracy at a level significantly higher than existing approaches while preserving location privacy.
How does depression facilitate psychological difficulties in children? The mediating role of cognitive emotion regulation strategies
Authors: Melero Silvia , Orgilés Mireia , Espada José Pedro , Morales Alexandra 
Published: September 2020

AbstractKnowing the processes of emotion regulation that children use to respond to stressful situations is essential to analyse the development of psychopathology. The objectives of this research were to study the use of nine cognitive emotion regulation strategies (CERS) in depressed children, compared with nondepressed children, and to analyse their possible mediating effects on the relationship between childhood depression and several areas related to child psychological adjustment. The sample comprised 336 children (46.7% girls) aged 8–12 years. Participants completed measures on depression symptoms (Child Depression Inventory), psychological strengths and difficulties (Strengths and Difficulties Questionnaire) and CERS (Cognitive Emotion Regulation Questionnaire for Spanish kids). Correlations and multiple regression analyses were conducted to test whether CERS and child gender and age predicted child depression. Mediation analyses were run to identify the CERS that mediate the relationship between depression and daily psychological adjustment. On multiple regression, children who score higher in self‐blame (β = .18, p < .01), catastrophizing (β = .24, p < .001), and other‐blame (β = .14, p ≤ .01) but lower in positive reappraisal (β = −.15, p ≤ .01) and females (β = .10, p < .05) were more likely to present higher scores in depression. The maladaptive CERS “other‐blame” mediated a positive relationship between depression and conduct problems and between depression and peer problems. Other‐blame mediated a negative relationship between depression and prosocial behaviour. In conclusion, this research provides evidence of which specific CERS mediate the emergence of psychopathology in vulnerable children, and provides clues for the proper orientation of psychological interventions in childhood.
Wild carrot diversity for new sources of abiotic stress tolerance to strengthen vegetable breeding in Bangladesh and Pakistan
Authors: Simon Philipp W. , Rolling William R. , Senalik Douglas , Bolton Adam. L. , Rahim M. A. , Mannan A. T. M. Majharul , Islam Ferdouse , Ali A. , Nijabat A. , Naveed Naima Huma , Hussain Rameez , Ijaz Shah Adeel 
Published: September 2020

AbstractCrop wild relatives (CWRs) of carrot (Daucus. carota L.) including 64 germplasm accessions of D. carota L. subsp. carota, D. carota L. subsp. capillifolius (Gilli) Arbizu, and D. carota L. subsp. gummifer (Syme) Hook. f., as well as two accessions of another 18‐chromosome species, D. syrticus Murb., were grown in field trials to flowering under conditions of heat, drought, and salinity stress in Bangladesh and Pakistan. Plant growth before floral initiation was evaluated and plants were allowed to progress to flowering to evaluate seed production. A wide range of response was observed among entries ranging from no germination or plant death early in development to vigorous growth. Carrot grown under optimal conditions in the greenhouse served as a useful control to estimate tolerance indices in the field. New sources of heat and drought tolerance in subsp. carota and subsp. capillifolius accessions were identified with similar performance in both countries. Ecogeographic analysis demonstrated that environmental parameters at the collection location of germplasm were associated with heat and drought tolerance observed in field trials. Plants evaluated for tolerance were allowed to flower and seed was produced on selected plants with abiotic stress tolerance to develop populations or breeding pools and to initiate the development of carrot better adapted to climatic abiotic stress.