bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design, synthesis, and neuroprotective effects of dual‐brain targeting naproxen prodrug
Authors: Wang Linhui , Zhang Li , Zhao Yi , Fu Qiuyi , Xiao Wenjiao , Lu Runxin , Hai Li , Guo Li , Wu Yong 
Published: March 2018

AbstractA new dual‐targeting naproxen prodrug conjugated with glucose and ascorbic acid for central nervous system (CNS) drug delivery was designed and synthesized in order to effectively deliver naproxen to the brain. Naproxen could be released from the prepared prodrugs when incubated with various buffers, mouse plasma, and brain homogenate. Also, the prodrug showed superior neuroprotective effect in vivo over naproxen. Our results suggest that chemical modification of therapeutics with warheads of glucose and ascorbic acid represents a promising and efficient strategy for the development of brain targeting prodrugs by utilizing the endogenous transportation mechanism of the warheads.
Metal‐Free Allylic Oxidation of Steroids Using TBAI/TBHP Organocatalytic Protocol
Authors: Lam Ying‐Pong , Yeung Ying‐Yeung 
Published: March 2018

AbstractA mild, efficient and organocatalytic allylic oxidation of steroids using a TBAI/TBHP protocol has been developed. A range of bioactive Δ5‐en‐7‐ones can be easily prepared from the corresponding Δ5‐steroids. The methodology features several advantages, including readily available starting materials, environmentally benign oxidant, high functional group compatibility, and metal‐free catalysis.
Autonomous dysfunction in Lyme neuroborreliosis. A case report
Authors: Hansen Bent‐Are , Finjord Torgeir , Bruserud Øyvind 
Published: March 2018

Key Clinical MessageThe diagnosis of Lyme neuroborreliosis should be considered whenever a patient presents with neurological symptoms and comes from an endemic area. However, atypical clinical presentation occurs including gastrointestinal manifestations because of autonomous dysfunction.
Chemical Insights into the Antioxidant Mechanisms of Alkylseleno and Alkyltelluro Phenols: Periodic Relatives Behaving Differently
Authors: Marino Tiziana , Galano Annia , Mazzone Gloria , Russo Nino , Alvarez‐Idaboy Juan Raúl 
Published: March 2018

AbstractThe possible antioxidant reaction mechanisms of recently synthesized and tested alkylseleno (telluro) phenols have been explored using density functional theory by considering two solvents physiologically relevant, water and pentylethanoate (PE). In addition, the possible pathway for the antioxidant regeneration with ascorbic acid has been investigated. Results show that selenium and tellurium systems follow different chemical behaviors. In particular, the alkylseleno phenol (ebselenol) antioxidant activity is justified through a sequential proton loss–electron‐transfer mechanism in water media, whereas in PE the hydrogen‐atom transfer process is favored. In the case of the tellurium derivative, the oxygen‐transfer mechanism represents the preferential one. Furthermore, electronic properties have been analyzed to rationalize the different reactivity of the selenium‐ and tellurium‐containing systems. To confirm the results, smaller but similar systems were also investigated. The calculated data support the different mechanism (Se vs. Te) proposals.
Telescoping Reactions with Trifluorodiazoethane‐Derived Aza‐Wittig Reagents and Allenyl esters
Authors: Zhang Fa‐Guang , Zeng Jun‐Liang , Tian Yi‐Qiang , Zheng Yan , Cahard Dominique , Ma Jun‐An 
Published: March 2018

AbstractA telescoping process involving the consecutive addition of four reagents (trifluorodiazoethane, phosphine, allenyl ester, and acetic acid) into a single reactor was developed for the novel functionalization of allenyl esters. First, new phosphazenes derived from trifluorodiazoethane and phosphines were generated and reacted with allenyl esters to give unexpected α‐iminophosphoranes through the creation of C=P, C=N, and C−H bonds at the α‐, β‐, and γ‐carbon atoms, respectively, of the allenyl esters. The α‐iminophosphoranes did not react with aldehydes in a classic Wittig reaction, but instead β‐enamino esters were obtained. The overall sequence of reactions offered a formal hydrohydrazonation of allenyl esters. The method was extended to other related diazo compounds and applied to the preparation of novel 5‐pyrazolone derivatives. Not only is the telescoping process described herein an effective approach for truncating the multistep synthesis, but also each step has been dissected to understand and support the reaction mechanisms.
Nitrogen Analogues of o‐Quinodimethane with Unexpected non‐Kekulé Diradical Character
Authors: Li Tao , Cheng Cheng , Yuan Ningning , Wang Lei , Chen Chao , Tan Gengwen , Wang Xinping 
Published: March 2018

AbstractTwo‐electron oxidations of three 1,2‐di(bisphenylamino)‐benzenes afforded a class of nitrogen analogues of o‐quinodimethane. Their electronic structures in the ground state were studied by spectroscopic techniques including EPR and UV‐vis absorption spectroscopy. They have open‐shell singlet ground states with thermally accessible triplet states. One of them (12+) has been crystalized and isolated. SQUID measurements, single crystal X‐ray diffraction and theoretical calculations show 12+ has unexpected non‐Kekulé diradical character, sharply different from o‐quinodimethane.
Digoxin use and lower risk of 30‐day all‐cause readmission in older patients with heart failure and reduced ejection fraction receiving β‐blockers
Authors: Lam Phillip H. , Bhyan Poonam , Arundel Cherinne , Dooley Daniel J. , Sheriff Helen M. , Mohammed Selma F. , Fonarow Gregg C. , Morgan Charity J. , Aronow Wilbert S. , Allman Richard M. , Waagstein Finn , Ahmed Ali 
Published: March 2018

BackgroundDigoxin use has been associated with a lower risk of 30‐day all‐cause admission and readmission in patients with heart failure and reduced ejection fraction (HFrEF).HypothesisDigoxin use will be associated with improved outcomes in patients with HFrEF receiving β‐blockers.MethodsOf the 3076 hospitalized Medicare beneficiaries with HFrEF (EF <45%), 1046 received a discharge prescription for β‐blockers, of which 634 were not on digoxin. Of the 634, 204 received a new discharge prescription for digoxin. Propensity scores for digoxin use, estimated for each of the 634 patients, were used to assemble a matched cohort of 167 pairs of patients receiving and not receiving digoxin, balanced on 30 baseline characteristics. Matched patients (n = 334) had a mean age of 74 years and were 46% female and 30% African American.Results30‐day all‐cause readmission occurred in 15% and 27% of those receiving and not receiving digoxin, respectively (hazard ratio [HR]: 0.51, 95% confidence interval [CI]: 0.31‐0.83, P = 0.007). This beneficial association persisted during 4 years of follow‐up (HR: 0.72, 95% CI: 0.57‐0.92, P = 0.008). Digoxin use was also associated with a lower risk of the combined endpoint of all‐cause readmission or all‐cause mortality at 30 days (HR: 0.54, 95% CI: 0.34‐0.86, P = 0.009) and at 4 years (HR: 0.76, 95% CI: 0.61‐0.96, P = 0.020).ConclusionsIn hospitalized patients with HFrEF receiving β‐blockers, digoxin use was associated with a lower risk of 30‐day all‐cause readmission but not mortality, which persisted during longer follow‐up.
A Templateless Electropolymerization Approach to Porous Hydrophobic Nanostructures Using 3,4‐Phenylenedioxythiophene Monomers with Electron‐Withdrawing Groups
Authors: Darmanin Thierry , Godeau Guihem , Guittard Frédéric , Klimareva Elena L. , Schewtschenko Irina , Perepichka Igor F. 
Published: March 2018

AbstractControlling the surface structures of conducting polymers is extremely important for various applications not only because of their unique optoelectronic properties but also owing to the wetting properties of these materials. Using a templateless electropolymerization approach, we report the formation of porous polymer nanostructures from a series of 3,4‐(1,2‐phenylenedioxy)(PheDOT) derivatives with electron‐withdrawing side groups (Cl, CN, CF3, SO2CH3). In this templateless electropolymerization, trace water present in solution is sufficient to produce gas bubbles (O2 and H2) and, as a consequence, to form the porous nanostructures with a tendency to form nanotubes on the surface. We show that the substituents in PheDOT play an important role to control the porous nanostructures and, as a consequence, the surface hydrophobicity. Using 3,4‐(1,3‐propylenedioxy)type (ProDOT) derivative F4‐BnDOT, the formation of densely packed nanofibers was demonstrated, and these are not a result of the presence of trace water. In this case, the surfaces are even more hydrophobic than for PheDOT‐based polymers, displaying extremely high apparent water contact angles (θw=138–144°) and strong water adhesion. Such surfaces from electropolymerized conducting polymers could be used in a number of technological applications, e.g. self‐cleaning surfaces, micropatterning, water harvesting and microfluid systems.
Morphology and Growth Mechanism Study of Lithium Carbonate Synthesized by Reactive Crystallization
Authors: Duan Shaojun , Sun Yuzhu , Song Xingfu , Yu Jianguo 
Published: March 2018

AbstractIn the reactive crystallization of lithium carbonate, molecular dynamics simulations are performed for crystal faces of lithium carbonate in contact with sodium chloride‐water molecules. A modified attachment energy model, accounting for the Connolly surface, spacing between crystal faces and solvent molecules, is applied to predict the morphological importance of crystal surface in solvent. From the solvent‐effected attachment energy calculations it is found that the (2 0 ‐2) and (1 1 ‐1) faces become more morphologically important compared with those in vacuum, while the growth rates of (0 0 2) and (1 1 0) faces become quicker, and their area of crystal faces decreases gradually. The observed growth morphology and X‐ray powder diffraction patterns are in accordance with the predicted morphology derived from the modified AE model.
Integrating species traits into species pools
Authors: Spasojevic Marko J. , Catano Christopher P. , LaManna Joseph A. , Myers Jonathan A. 
Published: March 2018

AbstractDespite decades of research on the species‐pool concept and the recent explosion of interest in trait‐based frameworks in ecology and biogeography, surprisingly little is known about how spatial and temporal changes in species‐pool functional diversity (SPFD) influence biodiversity and the processes underlying community assembly. Current trait‐based frameworks focus primarily on community assembly from a static regional species pool, without considering how spatial or temporal variation in SPFD alters the relative importance of deterministic and stochastic assembly processes. Likewise, species‐pool concepts primarily focus on how the number of species in the species pool influences local biodiversity. However, species pools with similar richness can vary substantially in functional‐trait diversity, which can strongly influence community assembly and biodiversity responses to environmental change. Here, we integrate recent advances in community ecology, trait‐based ecology, and biogeography to provide a more comprehensive framework that explicitly considers how variation in SPFD, among regions and within regions through time, influences the relative importance of community assembly processes and patterns of biodiversity. First, we provide a brief overview of the primary ecological and evolutionary processes that create differences in SPFD among regions and within regions through time. We then illustrate how SPFD may influence fundamental processes of local community assembly (dispersal, ecological drift, niche selection). Higher SPFD may increase the relative importance of deterministic community assembly when greater functional diversity in the species pool increases niche selection across environmental gradients. In contrast, lower SPFD may increase the relative importance of stochastic community assembly when high functional redundancy in the species pool increases the influence of dispersal history or ecological drift. Next, we outline experimental and observational approaches for testing the influence of SPFD on assembly processes and biodiversity. Finally, we highlight applications of this framework for restoration and conservation. This species‐pool functional diversity framework has the potential to advance our understanding of how local‐ and regional‐scale processes jointly influence patterns of biodiversity across biogeographic regions, changes in biodiversity within regions over time, and restoration outcomes and conservation efforts in ecosystems altered by environmental change.
An Amperometric Glucose Biosensor Based on Poly (Pyrrole‐2‐Carboxylic Acid)/Glucose Oxidase Biocomposite
Authors: Kausaite‐Minkstimiene Asta , Glumbokaite Laura , Ramanaviciene Almira , Dauksaite Elena , Ramanavicius Arunas 
Published: March 2018

AbstractA newly developed amperometric glucose biosensor based on graphite rod (GR) working electrode modified with biocomposite consisting of poly (pyrrole‐2‐carboxylic acid) (PCPy) particles and enzyme glucose oxidase (GOx) was investigated. The PCPy particles were synthesized by chemical oxidative polymerization technique using H2O2 as initiator of polymerization reaction and modified covalently with the GOx (PCPy‐GOx) after activation of carboxyl groups located on the particles surface with a mixture of N‐(3‐dimethylaminopropyl)‐N′‐ethylcarbodiimide hydrochloride (EDC) and N‐hydroxysuccinimide (NHS). Then the PCPy‐GOx biocomposite was dispersed in a buffer solution containing a certain amount of bovine serum albumin (BSA). The resulting biocomposite suspension was adsorbed the on GR electrode surface with subsequent solvent airing and chemical cross‐linking of the proteins with glutaraldehyde vapour (GR/PCPy‐GOx). It was determined that the current response of the GR/PCPy‐GOx electrodes to glucose measured at +300 mV vs Cl reference electrode was influenced by the duration of the PCPy particles synthesis, pH of the GOx solution used for the PCPy particles modification and the amount of immobilized PCPy‐GOx biocomposite. An optimal pH of buffer solution for operation of the biosensor was found to be 8.0. Detection limit was determined as 0.039 mmol L−1 according signal to noise ratio (S/N: 3). The proposed glucose biosensor was tested in human serum samples.
Facilitation of kindling epileptogenesis by chronic stress may be mediated by intestinal microbiome
Authors: Medel‐Matus Jesús‐Servando , Shin Don , Dorfman Edward , Sankar Raman , Mazarati Andrey 
Published: March 2018

SummaryThere has been growing interest in the role of intestinal microbiome in brain disorders. We examined whether dysbiosis can predispose to epilepsy. The study was performed in female and male Sprague‐Dawley rats. To induce dysbiosis, the rats were subjected to chronic restraint stress (two 2‐h long sessions per day, over 2 weeks). Cecal content from stressed and sham‐stressed donors was transplanted via oral gavage to recipients, in which commensal microbiota had been depleted by the antibiotics. The study included the following groups: (1) Sham stress, no microbiota transplant; (2) Stress, no microbiota transplant; (3) Sham‐stressed recipients transplanted with microbiota from sham‐stressed donors; (4) Stressed recipients transplanted with microbiota from sham‐stressed donors; (5) Sham‐stressed recipients transplanted with microbiota from stressed donors; and (6) Stressed recipients transplanted with microbiota from stressed donors. After microbiota transplant, all animals were subjected to kindling of the basolateral amygdala. Both chronic stress and microbiome transplanted from stressed to sham‐stressed subjects accelerated the progression and prolonged the duration of kindled seizures. Microbiome from sham‐stressed animals transplanted to chronically stressed rats, counteracted proepileptic effects of restraint stress. These findings directly implicate perturbations in the gut microbiome, particularly those associated with chronic stress, in the increased susceptibility to epilepsy.
Sulfur trioxide formation/emissions in coal‐fired air‐ and oxy‐fuel combustion processes: a review
Authors: Sarbassov Yerbol , Duan Lunbo , Manovic Vasilije , Anthony Edward J. 
Published: March 2018

AbstractIn oxy‐fuel combustion, fuel is burned using oxygen together with recycled flue gas, which is needed to control the combustion temperature. This leads to higher concentrations of sulfur dioxide and sulfur trioxide in the recycled gas, which can result in the formation of sulfuric acid and enhanced corrosion. Current experimental data on SO3 formation, reaction mechanisms, and mathematical modelling have indicated significant differences in SO3 formation between air‐ and oxy‐fuel combustion for both the wet and dry flue gas recycle options. This paper provides an extensive review of sulfur trioxide formation in air‐ and oxy‐fuel combustion environments, with an emphasis on coal‐fired systems. The first part summarizes recent findings on oxy‐fuel combustion experiments, as they affect sulfur trioxide formation. In the second part, the review focuses on sulfur trioxide formation mechanisms, and the influence of catalysis on sulfur trioxide formation. Finally, the current methods for measuring sulfur trioxide concentration are also reviewed along with the major difficulties associated with those measurements using data available from both bench‐ and pilot‐scale units. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd.
Analysis of circulating tumor DNA does not improve the clinical management of patients with locally advanced and metastatic papillary thyroid carcinoma
Authors: Condello Vincenzo , Macerola Elisabetta , Ugolini Clara , De Napoli Luigi , Romei Cristina , Materazzi Gabriele , Elisei Rossella , Basolo Fulvio 
Published: March 2018

AbstractBackgroundCirculating cell‐free tumor DNA (ctDNA) in plasma is a promising noninvasive instrument for cancer monitoring. Detection of BRAFV600E on ctDNA of patients with papillary thyroid carcinoma (PTC) may represent an indicator of tumor aggressiveness and progression.MethodsEighty‐three plasma samples were collected from 70 patients with thyroid nodules undergoing surgery and from 13 patients with PTC causing distant metastases. A total of 59 PTCs from both groups were evaluated for BRAF mutation on tumor tissue and on ctDNA from plasma samples by real‐time polymerase chain reaction (PCR) and digital PCR.ResultsOf 59 PTCs, 22 were BRAFV600E mutated (37.3%). The corresponding ctDNA was negative by using both techniques.ConclusionAlthough highly sensitive techniques were used, in our study, circulating BRAFV600E alleles were never detected in the plasma of patients with PTC; therefore, our results raise the question about the clinical usefulness of BRAFV600E analysis on ctDNA of patients with PTC.
In vitroandin vivoperformance of methacrylated gellan gum hydrogel formulations for cartilage repair*
Authors: Vilela Carlos A. , Correia Cristina , da Silva Morais Alain , Santos Tírcia C. , Gertrudes Ana C. , Moreira Elsa S. , Frias Ana M. , Learmonth David A. , Oliveira Pedro , Oliveira Joaquim M. , Sousa Rui A. , Espregueira‐Mendes João D. , Reis Rui L. 
Published: March 2018

AbstractMethacrylated gellan gum (GGMA) formulation is proposed as a second‐generation hydrogel for controlled delivery of cartilage‐forming cells into focal chondral lesions, allowing immediatein situretention of cells and 3D filling of lesion volume, such approach deemed compatible with an arthroscopic procedure. Formulation optimization was carried outin vitrousing chondrocytes and adipose mesenchymal stromal/stem cells (ASCs). A proof‐of‐conceptin vivostudy was conducted using a rabbit model with induced chondral lesions. Outcomes were compared with microfracture or non‐treated control. Three grading scores were used to evaluate tissue repair after 8 weeks by macroscopic, histological and immunohistochemical analysis. Intense collagen type II and low collagen type I gene and protein expression were achievedin vitroby the ASC + GGMA formulation, in light with development of healthy chondral tissue.In vivo, this formulation promoted significantly superiorde novocartilage formation compared with the non‐treated group. Maintenance of chondral height and integration with native tissue was further accomplished. The physicochemical properties of the proposed GGMA hydrogel exhibited highly favorable characteristics and biological performance bothin vitroandin vivo, positioning itself as an attractive xeno‐free biomaterial to be used with chondrogenic cells for a cost‐effective treatment of focal chondral lesions. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 106A: 1987–1996, 2018
Enormous expansion of the chemosensory gene repertoire in the omnivorous German cockroach Blattella germanica
Authors: Robertson Hugh M. , Baits Rachel L. , Walden Kimberly K.O. , Wada‐Katsumata Ayako , Schal Coby 
Published: March 2018

AbstractThe acquisition of genome sequences from a wide range of insects and other arthropods has revealed a broad positive correlation between the complexity of their chemical ecology and the size of their chemosensory gene repertoire. The German cockroach Blattella germanica is an extreme omnivore and has the largest chemosensory gene repertoire known for an arthropod, exceeding even the highly polyphagous spider mite Tetranychus urticae. While the Odorant Receptor family is not particularly large, with 123 genes potentially encoding 134 receptors (105 intact), the Gustatory Receptor family is greatly expanded to 431 genes potentially encoding 545 receptors (483 intact), the largest known for insects and second only to the spider mite. The Ionotropic Receptor family of olfactory and gustatory receptors is vastly expanded to at least 897 genes (604 intact), the largest size known in arthropods, far surpassing the 150 known from the dampwood termite Zootermopsis nevadensis. Commensurately, the Odorant Binding Protein family is expanded to the largest known for insects at 109 genes (all intact). Comparison with the far more specialized, but phylogenetically related termite, within the Dictyoptera, reveals considerable gene losses from the termite, and massive species‐specific gene expansions in the cockroach. The cockroach has lost function of 11%–41% of these three chemoreceptor gene families to pseudogenization, and most of these are young events, implying rapid turnover of genes along with these major expansions, presumably in response to changes in its chemical ecology.
Compact see‐through near‐eye display with depth adaption
Authors: Lee Yun‐Han , Tan Guanjun , Yin Kun , Zhan Tao , Wu Shin‐Tson 
Published: March 2018

AbstractBased on the recent development of Pancharatnam–Berry deflectors and lenses, we propose a compact and lightweight near‐eye display system with depth adaption. The compact design results from the polarization selectivity of Pancharatnam–Berry deflector waveguide coupler, and the fast‐switching Pancharatnam–Berry lenses can be exploited for generating correct light fields.