bluuebunny/crossref_metadata_2025_split huggingface dataset:
Boosting Electrochemical CO2 Reduction on Metal–Organic Frameworks via Ligand Doping
Authors: Dou Shuo , Song Jiajia , Xi Shibo , Du Yonghua , Wang Jiong , Huang Zhen‐Feng , Xu Zhichuan J. , Wang Xin 
Published: January 2019

AbstractElectrochemical CO2 reduction relies on the availability of highly efficient and selective catalysts. Herein, we report a general strategy to boost the activity of metal–organic frameworks (MOFs) towards CO2 reduction via ligand doping. A strong electron‐donating molecule of 1,10‐phenanthroline was doped into Zn‐based MOFs of zeolitic imidazolate framework‐8 (ZIF‐8) as CO2 reduction electrocatalyst. Experimental and theoretical evidences reveal that the electron‐donating nature of phenanthroline enables a charge transfer, which induces adjacent active sites at the sp2 C atoms in the imidazole ligand possessing more electrons, and facilitates the generation of *COOH, hence leading to improved activity and Faradaic efficiency towards CO production.
Covalently Grafting Cobalt Porphyrin onto Carbon Nanotubes for Efficient CO2 Electroreduction
Authors: Zhu Minghui , Chen Jiacheng , Huang Libei , Ye Ruquan , Xu Jing , Han Yi‐Fan 
Published: January 2019

AbstractMolecular complexes with inexpensive transition‐metal centers have drawn extensive attention, as they show a high selectivity in the electrochemical conversion of CO2 to CO. In this work, we propose a new strategy to covalently graft cobalt porphyrin onto the surface of a carbon nanotube by a substitution reaction at the metal center. Material characterization and electrochemical studies reveal that the porphyrin molecules are well dispersed at a high loading of 10 wt. %. As a result, the turnover frequency for CO formation is improved by a factor of three compared to traditional physically‐mixed catalysts with the same cobalt content. This leads to an outstanding overall current density of 25.1 mA cm−2 and a Faradaic efficiency of 98.3 % at 490 mV overpotential with excellent long‐term stability. This work provides an effective pathway for the improvement of the performance of electrocatalysts that could inspire rational design of molecular catalysts in the future.
Assessment of a Large Enzyme–Drug Complex by Proton‐Detected Solid‐State NMR Spectroscopy without Deuteration
Authors: Vasa Suresh K. , Singh Himanshu , Grohe Kristof , Linser Rasmus 
Published: January 2019

AbstractSolid‐state NMR spectroscopy has recently enabled structural biology with small amounts of non‐deuterated proteins, largely alleviating the classical sample production demands. Still, despite the benefits for sample preparation, successful and comprehensive characterization of complex spin systems in the few cases of higher‐molecular‐weight proteins has thus far relied on traditional 13C‐detected methodology or sample deuteration. Herein we show for a 29 kDa carbonic anhydrase:acetazolamide complex that different aspects of solid‐state NMR assessment of a complex spin system can be successfully accessed using a non‐deuterated, 500 μg sample in combination with adequate spectroscopic tools. The shown access to protein structure, protein dynamics, as well as biochemical parameters in amino acid sidechains, such as histidine protonation states, will be transferable to proteins that are not expressible in E. coli.
The Rechargeable Aluminum Battery: Opportunities and Challenges
Authors: Yang Huicong , Li Hucheng , Li Juan , Sun Zhenhua , He Kuang , Cheng Hui‐Ming , Li Feng 
Published: January 2019

AbstractAluminum battery systems are considered as a system that could supplement current lithium batteries due to the low cost and high volumetric capacity of aluminum metal, and the high safety of the whole battery system. However, first the use of ionic liquid electrolytes leading to AlCl4− instead of Al3+, the different intercalation reagents, the sluggish solid diffusion process and the fast capacity fading during cycling in aluminum batteries all need to be thoroughly explored. To provide a good understanding of the opportunities and challenges of the newly emerging aluminum batteries, this Review discusses the reaction mechanisms and the difficulties caused by the trivalent reaction medium in electrolytes, electrodes, and electrode–electrolyte interfaces. It is hoped that the Review will stimulate scientists and engineers to develop more reliable aluminum batteries.
A comparative study on the reaction mechanisms of Cp2MH2 (M = Cr, Mo, W) with HBF4
Authors: Xu Xia , Sun Zheng , Meng Lingpeng , Zheng Shijun , Li Xiaoyan 
Published: January 2019

The reaction mechanisms of group 6 transition metal dihydride complexes, Cp2MH2 (M = Cr, Mo, and W), and HBF4 were studied using M06‐L density functional theory. The chemical bond changes along the reaction pathway are analyzed by the topological analysis of electron density. The calculated results show that the interactions between the H atom of HBF4 and Cp2MH2 are stronger than those between Cp2MH2 and BF3; additionally, due to the low energy barriers in the subsequent reaction, all the title reactions can occur easily, and the yield rates of the Cp2MH2 + HBF4 reactions are high. For M = Cr and Mo, the [Cp2MH3]+ in the product Cp2MH3·BF4 is in the nonclassic dihydrogen‐hydride form ([Cp2M(η2‐H2)H]+). [Cp2CrH3]+ and [Cp2MoH3]+are unstable, and H2 can be easily liberated from them. For M = W, the final product is Cp2WH3·BF4, and [Cp2WH3]+ is stable in the classic trihydride form.
The Pretreatment of the Seeds Affects the Quality and Physicochemical Characteristics of Watermelon Oil and Its By‐Products
Authors: Ok Selçuk , Yilmaz Emin 
Published: January 2019

AbstractThe aims of this study were to produce cold‐pressed oils from watermelon seeds, which were previously treated with seed boiling and roasting, and to characterize the oils and press cakes. The watermelon seeds were found as rich sources of protein, oil, and minerals. Seed boiling pretreatment resulted in a higher oil recovery (51.31%) than seed preroasting (44.21%). Seed pretreatments did not cause any difference in the fatty acid (FA), sterol, and tocopherol compositions. Linoleic acid (LNA) was the major FA (54.57 and 54.62%) with higher contents of total unsaturated (74.41 and 75.52%) FA. β‐Sitosterol (202.79 mg/100 g oil and 202.90 mg/100 g oil) and γ‐tocopherol (361.45 mg kg−1 oil and 365.98 mg kg−1 oil) were the major components. The oils started to crystallize at around 1.80 and 1.75°C, and completely crystallized oils melted at around −35.66 and −35.78°C, respectively. Seed boiling pretreatment reduced the quantity of the most phenolic compounds in the oil (51.54 and 22.74 mg kg−1 total phenolics). The oxidative induction times of the oils were 11.91 and 11.49 min. In these cold‐pressed oils, volatile compounds associated with roasted/nutty and vegetable/herbal aroma descriptions were predominantly detected. Sensory descriptive analysis indicated that the oils are poor in terms of different sensory terms. Consumer tests showed that these oils are acceptable for direct consumption. Hence, this raw material could be used to produce edible oils.
Cation−Solvent, Cation−Anion, and Solvent−Solvent Interactions with Electrolyte Solvation in Lithium batteries
Authors: Chen Xiang , Zhang Xue‐Qiang , Li Hao‐Ran , Zhang Qiang 
Published: January 2019

AbstractThe front cover artwork is provided by the group of Prof. Zhang from the department of chemical engineering, Tsinghua University. The image shows the cation–solvent, cation–anion, and solvent–solvent interactions in the electrolytes of lithium batteries, which are similar to the scene of ballet. With electrolyte solvation, these interactions are much weakened, exhibiting longer Li−O/N bond length. Read the full text of the article at 10.1002/batt.201800118.
When hemolysis masks polycythemia vera
Authors: Derrieux Coralie , Jeandel Roland , Martin Antoine , Dosquet Christine , Cassinat Bruno , Fouillard Loïc 
Published: January 2019

Key Clinical MessageAlthough uncommon, clinicians should be aware that polycythemia vera may be masked due to hemolysis. The report of such associations could help them in clinical practice to establish an early and accurate diagnosis that may be challenging in atypical presentations of myeloproliferative neoplasms.
Molecular breast imaging detected invasive lobular carcinoma in dense breasts: A case report
Authors: Samreen Naziya , Hunt Katie N. , Hruska Carrie B. , Rhodes Deborah J. 
Published: January 2019

Key Clinical MessageThis case highlights the role of molecular breast imaging (MBI) in evaluating persistent clinical concerns after a negative diagnostic mammogram and ultrasound. MBI is especially useful in the diagnosis of invasive lobular carcinoma due to its occult nature on conventional imaging modalities.
Successful debulking of plurihormonal pituitary macroadenoma with long‐acting pasireotide and dopamine agonist combination therapy
Authors: Jerkins Terri W. , Jerkins Randy K. , Franklin Robbi 
Published: January 2019

Key Clinical MessageLong‐acting pasireotide and bromocriptine provided biochemical control of growth hormone and prolactin in a patient with plurihormonal pituitary macroadenoma, allowing near‐complete tumor excision while restoring pituitary function and avoiding adjunctive radiotherapy. Pasireotide initiation resulted in hyperglycemia, which stabilized after a few months and resolved upon pasireotide discontinuation (ACCESS; NCT01995734).
A case of fatal cutaneous caput medusae hemorrhage
Authors: Melas Nikolaos , Haji Younes Amil , Magnusson Peter 
Published: January 2019

Key Clinical MessageAlcoholic liver cirrhosis leads to portal venous hypertension, which can result in a caput medusae formation. Life‐threatening hemorrhage from a ruptured caput medusae vein is a rare complication. It is crucial to stop the bleeding promptly. A transjugular intrahepatic portosystemic shunt is considered potentially lifesaving.
Conversion of MeOH and Toluene into Styrene and Ethylbenzene Using Composite Catalysts Containing MeOH Dehydrogenation Components
Authors: Han Qiao , Li Peidong , Zhang Yanfei , Lu Peng , Xu Li , Guo Hongchen , Xu Lei 
Published: January 2019

AbstractA new strategy, the coupling of methanol dehydrogenation and side‐chain alkylation of toluene, to realize highly effective conversion of methanol and toluene into styrene and ethylbenzene was proposed. A series of composite catalysts were designed by combining CsX with numerous catalysts reported to be effective for methanol dehydrogenation to formaldehyde. The studies of side‐chain alkylation of toluene with methanol over these composite catalysts indicated that the introduction of methanol dehydrogenation components could universally improve the yield of styrene and ethylbenzene in side‐chain alkylation of toluene with methanol. And the introduction of some methanol dehydrogenation components, i. e. sodium borate (Na2B4O7) and CuO/SiO2, could even double the yield of styrene and ethylbenzene. Furthermore, the influence of the mass ratio of different components and the spatial arrangement of different active sites on composite catalysts was investigated in detail.
A model of neocortical area patterning in the lissencephalic mouse may hold for larger gyrencephalic brains
Authors: Jones William D. , Guadiana Sarah M. , Grove Elizabeth A. 
Published: January 2019

AbstractIn the mouse, two telencephalic signaling centers orchestrate embryonic patterning of the cerebral cortex. From the rostral patterning center in the telencephalon, the Fibroblast Growth Factor, FGF8, disperses as a morphogen to establish the rostral to caudal axis of the neocortical area map. FGF8 coordinates with Wnt3a from the cortical hem to regulate graded expression of transcription factors that position neocortical areas, and control hippocampal development. Whether similar signaling centers pattern the much larger cortices of carnivore and primate species, however, is unclear. The limited dispersion range of FGF8 and Wnt3a is inconsistent with patterning larger cortical primordia. Yet the implication that different mechanisms organize cortex in different mammals flies in the face of the tenet that developmental patterning mechanisms are conserved across vertebrate species. In the present study, both signaling centers were identified in the ferret telencephalon, as were expression gradients of the patterning transcription factor genes regulated by FGF8 and Wnt3a. Notably, at the stage corresponding to the peak period of FGF8 signaling in the mouse neocortical primordium (NP), the NP was the same size in ferret and mouse, which would allow morphogen patterning of the ferret NP. Subsequently, the size of ferret neocortex shot past that of the mouse. Images from online databases further suggest that NP growth in humans, too, is slowed in early cortical development. We propose that if early growth in larger brains is held back, mechanisms that pattern the neocortical area map in the mouse could be conserved across mammalian species.
Black Phosphorus Nanomaterials Regulate the Aggregation of Amyloid‐β
Authors: Lim Yeh‐Jun , Zhou Wen‐hua , Li Gao , Hu Zhi‐Wen , Hong Liu , Yu Xue‐Feng , Li Yan‐Mei 
Published: January 2019

AbstractAggregation of amyloid‐β (Aβ) plays important roles in the progression of Alzheimer's disease (AD), and various carbon‐based nanomaterials have been shown to significantly inhibit aggregation of Aβ. A new member of the family of two‐dimensional (2D) nanomaterials, black phosphorus (BP), has been successfully prepared. Compared to other nanomaterials, BP has a higher surface‐to‐volume ratio, so it has strong adsorption ability for Aβ, and can thereby regulate the aggregation of Aβ. Herein, black phosphorus (BP) nanomaterials are proposed to regulate the aggregation of Aβ for the first time, and the corresponding mechanism is clarified. This work provides new insight into the development of BP‐based strategies to prevent amyloidosis.
Parallel membership queries on very large scientific data sets using bitmap indexes
Authors: Yildiz Beytullah , Wu Kesheng , Byna Suren , Shoshani Arie 
Published: January 2019

SummaryMany scientific applications produce very large amounts of data as advances in hardware fuel computing and experimental facilities. Managing and analyzing massive quantities of scientific data is challenging as data are often stored in specific formatted files, such as HDF5 and NetCDF, which do not offer appropriate search capabilities. In this research, we investigated a special class of search capability, called membership query, to identify whether queried elements of a set are members of an attribute. Attributes that naturally have classification values appear frequently in scientific domains such as category and object type as well as in daily life such as zip code and occupation. Because classification attribute values are discrete and require random data access, performing a membership query on a large scientific data set creates challenges. We applied bitmap indexing and parallelization to membership queries to overcome these challenges. Bitmap indexing provides high performance not only for low cardinality attributes but also for high cardinality attributes, such as floating‐point variables, electric charge, or momentum in a particle physics data set, due to compression algorithms such as Word‐Aligned Hybrid. We conducted experiments, in a highly parallelized environment, on data obtained from a particle accelerator model and a synthetic data set.
Facile Modifications at the C4 Position of Pyrimidine Nucleosides via In Situ Amide Activation with 1H‐Benzotriazol‐1‐yloxy‐tris(dimethyl‐amino)phosphonium Hexafluorophosphate
Authors: Akula Hari K. , Lakshman Mahesh K. 
Published: January 2019

AbstractTwo approaches for C4 modifications of silyl‐protected thymidine, 2′‐deoxyuridine, and 3′‐azido‐2′,3′‐dideoxythymidine (AZT) are described. In both, nucleoside amide activation with 1H‐benzotriazol‐1‐yloxy‐tris(dimethylamino)phosphonium hexafluorophosphate (BOP) and DBU yields O4‐(benzotriazol‐1‐yl) derivatives. These in situ–formed intermediates are reacted with various nucleophiles, resulting in C4 modifications. In the two‐step, one‐pot approach, the O4‐(benzotriazol‐1‐yl) nucleoside intermediates are initially produced by reactions of the nucleosides with BOP and DBU in THF. This step is fast and typically complete within 30 min. Subsequently, the O4‐(benzotriazol‐1‐yl) derivatives are reacted with nucleophiles, such as aliphatic and aromatic amines, thiols, and alcohols, under appropriate conditions. Workup, isolation, and purification lead to the desired C4‐modified pyrimidine nucleosides in good to excellent yields. In the one‐step approach, the nucleosides are reacted with BOP and DBU, in the presence of the nucleophile (only aliphatic and aromatic amines, and thiols have been tested). Where comparisons are possible, the one‐step approach is generally superior. © 2019 by John Wiley & Sons, Inc.
Examining physical activity and correlates in adults with healthy weight, overweight/obesity, or binge‐eating disorder
Authors: Carr Meagan M. , Lydecker Janet A. , White Marney A. , Grilo Carlos M. 
Published: January 2019

AbstractObjectiveTo examine physical activity and correlates among three subgroups of adults: healthy weight without binge eating (HW), overweight/obesity without binge eating (OW/OB), and core features of binge‐eating disorder (BED).MethodParticipants (N = 2,384) completed an online survey with established measures of physical activity, eating psychopathology, and health. Most participants were White (82.6%) women (66.7%). Participants were categorized into three study groups: HW (n = 948; 39.9%), OW/OB (n = 1,308; 55.1%), and BED (n = 120; 5.1%).ResultsThe BED group had the highest proportion of self‐reported insufficiently active individuals (63.8%), followed by OW/OB (41.7%), and HW (29.2%). Associations between self‐reported physical activity, eating pathology, and health were generally small in HW and OW/OB groups, whereas associations were moderate in the BED group. Self‐reported weekly bouts of physical activity were more strongly, positively related to self‐reported physical health for OW/OB than HW, and this effect was even more pronounced for BED compared with HW or OW/OB.DiscussionThis is the first study, to our knowledge, to demonstrate a stronger association between self‐reported physical activity and physical health for individuals with BED compared with OW/OB alone. The high rate of physical inactivity and the strong association between physical activity and health among participants with BED suggest physical activity as an important treatment target for individuals with BED.
Approach bias modification training in bulimia nervosa and binge‐eating disorder: A pilot randomized controlled trial
Authors: Brockmeyer Timo , Friederich Hans‐Christoph , Küppers Carolyn , Chowdhury Sharmain , Harms Louisa , Simmonds Jess , Gordon Gemma , Potterton Rachel , Schmidt Ulrike 
Published: January 2019

AbstractObjectiveBulimia nervosa (BN) and binge‐eating disorder (BED) are associated with poorly controlled approach behavior toward food resulting in binge eating. Approach bias modification (ABM) may reduce these automatic action tendencies (i.e., approach bias) toward food and may thus decrease binge eating and related symptoms.MethodA total of 56 patients with BN/BED participated in this double‐blind, randomized controlled trial (RCT) comparing real and sham ABM. The real ABM condition adopted an implicit learning paradigm in which participants were trained to show avoidance behavior in response to food cues. Participants in the sham condition used a similar task but were not trained to avoid food cues. Both conditions comprised 10 training sessions within 4 weeks.ResultsParticipants in both groups experienced significant reductions in binge eating, eating disorder symptoms, trait food craving, and food cue reactivity. Real ABM tended to result in greater reductions in eating disorder symptoms than sham ABM. Food intake, approach bias, and attention bias toward food did not change.DiscussionThis is the first RCT on ABM in eating disorders. The findings provide limited support for the efficacy of ABM in BN/BED and pose questions regarding its active ingredients and its usefulness as a stand‐alone treatment for eating disorders.
The role of plant–mycorrhizal mutualisms in deterring plant invasions: Insights from an individual‐based model
Authors: McCary Matthew A. , Zellner Moira , Wise David H. 
Published: January 2019

AbstractUnderstanding the factors that determine invasion success for non‐native plants is crucial for maintaining global biodiversity and ecosystem functioning. One hypothesized mechanism by which many exotic plants can become invasive is through the disruption of key plant–mycorrhizal mutualisms, yet few studies have investigated how these disruptions can lead to invader success. We present an individual‐based model to examine how mutualism strengths between a native plant (Impatiens capensis) and mycorrhizal fungus can influence invasion success for a widespread plant invader,Alliaria petiolata(garlic mustard). Two questions were investigated as follows: (a) How does the strength of the mutualism between the nativeI. capensisand a mycorrhizal fungus affect resistance (i.e., native plant maintaining >60% of final equilibrium plant density) to garlic mustard invasion? (b) Is there a non‐linear relationship between initial garlic mustard density and invasiveness (i.e., garlic mustard representing >60% of final equilibrium plant density)? Our findings indicate that either low (i.e., facultative) or high (i.e., obligate) mutualism strengths between the native plant and mycorrhizal fungus were more likely to lead to garlic mustard invasiveness than intermediate levels, which resulted in higher resistance to garlic mustard invasion. Intermediate mutualism strengths allowedI. capensisto take advantage of increased fitness when the fungus was present but remained competitive enough to sustain high numbers without the fungus. Though strong mutualisms had the highest fitness without the invader, they proved most susceptible to invasion because the loss of the mycorrhizal fungus resulted in a reproductive output too low to compete with garlic mustard. Weak mutualisms were more competitive than strong mutualisms but still led to garlic mustard invasion. Furthermore, we found that under intermediate mutualism strengths, the initial density of garlic mustard (as a proxy for different levels of plant invasion) did not influence its invasion success, as high initial densities of garlic mustard did not lead to it becoming dominant. Our results indicate that plants that form weak or strong mutualisms with mycorrhizal fungi are most vulnerable to invasion, whereas intermediate mutualisms provide the highest resistance to an allelopathic invader.