bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quercetin inhibits sodium nitrite‐induced inflammation and apoptosis in different rats organs by suppressing Bax, HIF1‐α, TGF‐β, Smad‐2, and AKT pathways
Authors: Al‐Rasheed Nouf Mohamed , Fadda Laila Mohamed , Attia Hala A. , Ali Hanaa Mahmoud , Al‐Rasheed Nawal Mohamed 
Published: December 2016

AbstractThe objective of this work is to study the protective effects of Quercetin against sodium nitrite‐induced hypoxia on liver, lung, kidney and cardiac tissues, also to explore novel mechanism of this compound. Male albino rats were injected with sodium nitrite (75 mg/kg). Quercetin (200 mg kg−1,‐ i.p.) was administrated 24 and 1 h respectively prior to sodium nitrite intoxication, hypoxia significantly decreased hemoglobin concentration, while increased expressions of HIF, Bax, Smad‐2, TGF‐β, and AKT. However, administration of Quercetin played a modulatory role against the previous mentioned apoptotic factors protein expressions in all the studied tissues. On the other hand, Bcl‐2 was downregulated by NaNO2, whereas concurrent treatment with Quercetin increased its expression. It was concluded that Quercetin possesses an anti‐apoptotic action induced by NaNO2‐intoxication via different mechanisms. Quercetin administration is recommended in areas of high altitudes to combat the hazard effect of hypoxia in different organs and in some diseases accompanied by hypoxic stress.
The early rainy season in Central America: the role of the tropical North Atlantic SSTs
Authors: Maldonado Tito , Alfaro Eric , Rutgersson Anna , Amador Jorge A. 
Published: December 2016

ABSTRACTWe explored the relationship between the precipitation anomalies during May to June as the first peak of the rainy season in the Pacific slope of Central America, and sea surface temperature (SST) fluctuations in the surrounding oceans, using canonical correlation analysis (CCA). With this approach, we studied variations in total precipitation, frequency of rainy days and the monthly occurrence of days with rainfall above (below) the 80th (20th) percentile, due to changes in the nearby SST. Composites of the sea‐level pressure (SLP), geopotential heights (200 hPa), relative humidity (700 hPa), horizontal moisture flux and wind at 850 hPa were estimated to provide a dynamical analysis. The composites are calculated using the information obtained with CCA. In addition, we used a general circulation model forced with fixed SST to explore the sensitivity of the model to the SST patterns found using CCA. The results show that the SST over the tropical North Atlantic controls the precipitation fluctuations at interannual scales, due to its connection with the tropical upper tropospheric trough. Warmer (colder) temperatures result in SLP below normal in the Caribbean region, associated with an increase in the heights at 200 hPa. This vertical configuration reduces the wind shear between 850 and 200 hPa and increases the input of humidity to mid‐levels, creating favourable conditions for deep convection, and favouring the generation of tropical cyclone activity. In the Pacific, a positive anomalous low‐level moisture flux is observed from the ocean to the continental parts of the region and may enhance the formation of mesoscale systems. The classic prediction schemes show a lead time of 1 or 2 months; this is an advantage for climate services operative work. The atmospheric model outcomes replicate the main results found in the composite analysis, reflecting its potential use for model output statistics predictive schemes.
Inhibitory properties of bambara groundnut protein hydrolysate and peptide fractions against angiotensin‐converting enzymes, renin and free radicals
Authors: Arise Abimbola K , Alashi Adeola M , Nwachukwu Ifeanyi D , Malomo Sunday A , Aluko Rotimi E , Amonsou Eric O 
Published: December 2016

AbstractBACKGROUNDAn increased rate of high blood pressure has led to critical human hypertensive conditions in most nations. In the present study, bambara protein hydrolysates (BPHs) obtained using three different proteases (alcalase, trypsin and pepsin) and their peptide fractions (molecular weight: 10, 5, 3 and 1 kDa) were investigated for antihypertensive and antioxidant activities.RESULTSAlcalase hydrolysate contained the highest amount of low molecular weight (LMW) peptides compared to pepsin and trypsin hydrolysates. LMW peptides fractions (<1 kDa) exhibited the highest inhibitory activity against angiotensin‐converting enzyme (ACE) for all the enzymes hydrolysates. For renin inhibition, alcalase hydrolysate showed the highest inhibition at 59% compared to other hydrolysates and their corresponding membrane fractions. The antioxidant power of bambara protein hydrolysates and peptide fractions was evaluated through the inhibition of linoleic acid peroxidation and ABTS scavenging activity. Among the hydrolysates, alcalase exhibited the highest inhibition of linoleic acid oxidation. Furthermore, all BPHs were able to scavenge ABTS•+ to a three‐fold greater extent compared to the isolate.CONCLUSIONBPH and LMW peptide fractions could potentially serve as useful ingredients in the formulation of functional foods and nutraceuticals against high blood pressure and oxidative stress. © 2016 Society of Chemical Industry
Topical oral cavity chemoprophylaxis using isotretinoin rinse: A 15‐year experience
Authors: Kadakia Sameep , Badhey Arvind , Milam Mary , Lee Thomas , Ducic Yadranko 
Published: December 2016

Objectives/HypothesisTo determine the utility of isotretinoin oral rinses as a method of chemoprevention for recurrent oral cavity squamous cell carcinoma (SCC), carcinoma in situ, and dysplasia.Study DesignRetrospective cohort study.MethodsOne hundred forty‐three patients were initially enrolled in the study; however, 18 were excluded due to inability to tolerate therapy. The included patients were classified into four groups. Group 1 included patients with multiple early stage oral cavity lesions following initial resection. Group 2 included patients with SCC in situ after excision. Group 3 included patients with multifocal dysplasia following initial CO2 laser ablation. Group 4 included patients with a history of treated oral cavity SCC with new leukoplakia lesions proven to be dysplastic. Fifty‐three patients in the control group did not use post‐treatment isotretinoin rinses due to various reasons, whereas 72 patients completed therapy. Minimum use of isotretinoin rinses was 12 months, and minimum follow‐up was 24 months. During the follow‐up period, all recurrences of carcinoma, in situ disease, and dysplasia were noted and compared with a Fisher test of fit. A Bonferroni correction was applied to increase accuracy and strength of comparison.ResultsUsing a Bonferroni correction, the significance threshold was 0.0125. By that cutoff, isotretinoin rinses were found to be associated with lower recurrence in groups 1 and 3 (P = .00014, P = .00002, respectively) but not in groups 2 and 4 (P = .4, P = .3846, respectively).ConclusionsOral isotretinoin as chemoprophylaxis for patients treated for oral cavity squamous cell carcinoma, in situ disease, or dysplasia may be beneficial in decreasing recurrence rate.Level of Evidence4. Laryngoscope, 127:1595–1599, 2017
Duty hour restrictions and surgical complications for head and neck key indicator procedures
Authors: Smith Aaron , Jain Nikhita , Wan Jim , Wang Lei , Sebelik Merry 
Published: December 2016

Objectives/HypothesisGraduate medical education has traditionally required long work hours, allowing trainees little time for adequate rest. Based on concerns over performance deterioration with sleep deprivation and its effect on patient outcomes, duty hour restrictions have been mandated. We sought to characterize complications from otolaryngology key indicator procedures performed before and after duty hour reform.Study DesignRetrospective cross‐sectional analysis of National Inpatient Sample (NIS).MethodsThe NIS was queried for procedure codes associated with head and neck key indicator groupings for the years 2000–2002 (45,363 procedures) and 2006–2008 (51,144 procedures). Hospitals were divided into three groups: nonteaching hospitals (NTH), teaching hospitals without otolaryngology programs (TH), and teaching hospitals with otolaryngology programs (TH‐OTO). Surgical complication rates, length of stay, and mortality rates were analyzed using logistic and linear regression.ResultsThe number of procedures increased (12.7%), with TH‐OTO contributing more in postrestriction years (21% to 30%). Overall complication rates between the two periods revealed no difference, regardless of hospital setting. Subset analysis showed some variation within each complication within each grouping. Length of stay increased at TH‐OTO (2.75 to 2.78 days) and decreased at NTH (2.28 to 2.24 days) and TH (2.39 to 2.36 days). Mortality did not increase among the three hospital types (NTH, P < .58; TH, P < .96; TH‐OTO, P < .06). During the latter period, TH‐OTO procedures showed lower mortality (P < .0038, odds ratio [OR] = 0.45, 95% confidence interval [CI] = 0.27‐0.77). Increasing Charlson comorbidity index increased overall mortality rate (P < .0001, OR = 2.63, 95% CI = 2.4‐2.89).ConclusionsOverall complication rates did not change for head and neck key indicator procedures. Moreover, concerns about reduced surgical case numbers appear unfounded, especially for otolaryngology programs.Level of Evidence2c Laryngoscope, 127:1797–1803, 2017
195Pt NMR parameters as strong descriptors in one‐parameter QSAR models for platinum‐based antitumor compounds
Authors: Tsipis Athanassios C. , Karapetsas Ioannis N. 
Published: December 2016

AbstractHighly predictive one‐parameter quantitative structure–activity relationship models have been developed for platinum‐based anticancer drugs using the 195Pt NMR parameters as strong descriptors. The developed quantitative structure–activity relationship models were applied in diverse homogeneous sets of antiproliferative Pt(II) and Pt(IV) compounds. These observations form the basis for making predictions of cytotoxicity for a broad range of platinum‐based antitumor compounds just from inspection of calculated or experimentally determined 195Pt NMR parameters. Copyright © 2016 John Wiley & Sons, Ltd.
Fetal therapy for Down syndrome: an ethical exploration
Authors: de Wert Guido , Dondorp Wybo , Bianchi Diana W. 
Published: December 2016

AbstractBackgroundParallel to recent advances in prenatal screening for Down syndrome (DS), therapies for different aspects of the condition have become available. As intellectual disability is a key aspect, this is an active area for research. Several groups have hypothesized that prenatal interventions will give better chances at improving cognitive functioning in persons with DS than postnatal treatment. Clinical trials are being developed.MethodWe first discuss the ethical pros and cons of trying to improve cognitive functioning in persons with DS to see if there are categorical objections to the general idea, and then move on to explore ethically relevant aspects of the prospect of developing fetal therapy for DS (FTDS).ResultsOnly on the basis of a one‐dimensional emphasis on the social model of disability would (fetal) therapy aimed at cognitive improvement be inherently problematic.ConclusionsInviting pregnant women to participate in FTDS‐research should be based on adequate pre‐clinical trials, as well as information aimed at avoiding the so‐called ‘therapeutic misconception’. Should FTDS be proven to be effective and safe, women carrying a fetus with trisomy 21 who have decided to continue the pregnancy may have a moral obligation to make use of this option. © 2016 John Wiley & Sons, Ltd.
FlexPepDock lessons from CAPRI peptide–protein rounds and suggested new criteria for assessment of model quality and utility
Authors: Marcu Orly , Dodson Emma‐Joy , Alam Nawsad , Sperber Michal , Kozakov Dima , Lensink Marc F. , Schueler‐Furman Ora 
Published: December 2016

ABSTRACTCAPRI rounds 28 and 29 included, for the first time, peptide‐receptor targets of three different systems, reflecting increased appreciation of the importance of peptide‐protein interactions. The CAPRI rounds allowed us to objectively assess the performance of Rosetta FlexPepDock, one of the first protocols to explicitly include peptide flexibility in docking, accounting for peptide conformational changes upon binding. We discuss here successes and challenges in modeling these targets: we obtain top‐performing, high‐resolution models of the peptide motif for cases with known binding sites but there is a need for better modeling of flanking regions, as well as better selection criteria, in particular for unknown binding sites. These rounds have also provided us the opportunity to reassess the success criteria, to better reflect the quality of a peptide‐protein complex model. Using all models submitted to CAPRI, we analyze the correlation between current classification criteria and the ability to retrieve critical interface features, such as hydrogen bonds and hotspots. We find that loosening the backbone (and ligand) RMSD threshold, together with a restriction on the side chain RMSD measure, allows us to improve the selection of high‐accuracy models. We also suggest a new measure to assess interface hydrogen bond recovery, which is not assessed by the current CAPRI criteria. Finally, we find that surprisingly much can be learned from rather inaccurate models about binding hotspots, suggesting that the current status of peptide–protein docking methods, as reflected by the submitted CAPRI models, can already have a significant impact on our understanding of protein interactions. Proteins 2017; 85:445–462. © 2016 The Authors Proteins: Structure, Function, and Bioinformatics Published by Wiley Periodicals, Inc.
Improving the mechanical properties and flame retardancy of ethylene‐vinyl acetate copolymer by introducing bis [3‐(triethoxysilyl) propyl] tetrasulfide modified magnesium hydroxide
Authors: Zhang Sheng , Bu Xiangxing , Gu Xiaoyu , Sun Jun , Li Hongfei , Tang Wufei 
Published: December 2016

Magnesium hydroxide (MH) was surface modified by bis [3‐(triethoxysilyl) propyl] tetrasulfide (Si‐69) in order to improve its compatibility with ethylene‐vinyl acetate (EVA) copolymer substrate. The modified MH (SMH) was then introduced to EVA through melt blending. The flammability was evaluated by limiting oxygen index (LOI), vertical burning test and cone calorimeter; 40 wt% MH/SMH will lift LOI from 17.9 in EVA to 22.3/23.3, respectively. In cone test, the peak heat release rate (PHRR) of EVA is 1382 kW/m2 and reduced sharply to 601/489 kW/m2 for 40 wt% MH/SMH adding, respectively. The mechanical properties were tested by a drawing machine. The elongation at break dropped almost 7 times by the addition of 40 wt% MH, from 825% in EVA dived to 124%, whereas up to 745% by the addition of 40 wt% SMH. The morphology observation by scanning electron microscopy (SEM) indicated the dispersion of surface modified MH in EVA was remarkably improved than that of MH. Copyright © 2016 John Wiley & Sons, Ltd.
Fabrication of Solid‐State Flexible Fiber Supercapacitor Using Agave Americana Derived Activated Carbon and Its Performance Analysis at Different Conditions
Authors: Pandi Karuppiah , Sankar Kalimuthu Vijaya , Kalpana Dharmalingam , Lee Yun Sung , Selvan Ramakrishnan Kalai 
Published: December 2016

AbstractFlexible fiber symmetric supercapacitors were fabricated using activated carbon derived from Agave americana having uniform pores because of chemical activation using two different activating agents, KOH (K‐AC) and NaOH (Na‐AC). The X‐ray diffraction analysis revealed the formation of amorphous carbon. The Fourier transform infrared and X‐ray photoelectron spectroscopies infers the presence of oxygen functional groups. The N2 adsorption/desorption study revealed a bimodal type pore size distribution in both the samples. A maximum specific surface area of 1122.7 m2 g−1 is obtained for K‐AC. The fabricated symmetric supercapacitor (K‐AC∥PVA+H2SO4∥K‐AC) exhibits a maximum length specific capacitance of 18 mF cm−1 with good capacitance retention and cycle life. Subsequently, the effects of temperature, device length, and flexibility of the device were studied by fabricating different shapes (normal, zigzag, and spiral). Finally, the device was tested in a practical application in a flexible mode, which was integrated with an energy harvesting system, indicating good reliability of the device.
Alkyl‐Chain‐Separated Triphenybenzene ‐ Carbazole Conjugates and their Derived Polymers: Candidates for Sensory, Electrical and Optical Materials
Authors: Kaleeswaran D. , Vishnoi Pratap , Kumar Subramani , Chithiravel Sundaresan , Walawalkar Mrinalini G. , Krishnamoorthy Kothandam , Murugavel Ramaswamy 
Published: December 2016

AbstractFour new triphenylbenzene based carbazoles (THPBCz4, THPBCz6, THPBCz8 and THPBCz10) and polycarbazoles (polyTHPBCz4, polyTHPBCz6, polyTHPBCz8 and polyTHPBCz10), have been synthesized. Photoluminescence spectra of the monomers in dichloromethane exhibit two intense bands at 353 and 369 nm. Two additional bands (410 and 435 nm) are also observed due to intermolecular interactions. These bands are more intense in the case of thin films, indicating stronger π‐π stacking interactions in the solid state. Due to the extended π‐conjugation, the polycarbazoles display two main emission bands (495 and 520 nm) which are red shifted as compared to the monocarbazoles. Due to the presence of emissive platforms such as triarylbenzene and carbazole, both monomers and polymers, function as efficient sensors for the detection of polynitroaromatic analytes (PA, DNT, p‐DNB and m‐DNB). The electrochemically polymerized carbazole derivatives showed maximum capacitance of 41 F/g for polyTHPBCz6. The SCLC measurement reveals a maximum mobility of 6 x 10−6 cm2/Vs for polyTHPBCz4 that showed better packing due to flexible alkyl chains that connect the conjugated moieties.
Adsorption of Glucose within M(IV)‐Incorporated Zeolites: Insights from Periodic Density Functional Theory Calculations
Authors: Yang Gang , Zhu Chang , Zhou Lijun 
Published: December 2016

AbstractAlbeit the isomerization mechanism of glucose to fructose catalyzed by M(IV)‐incorporated zeolites is widely studied, scant attention has been given to the adsorption of related sugars that is critical to catalysis. Here p‐DFT calculations are conducted to have a comprehensive understanding within this context, considering the effects of adsorption modes, identity of framework‐M(IV) ions, pore topology and conformational states of glucose. Monodentate rather than bidentate adsorption structures of glucose are the most energetically favorable within all investigated zeolites except Sn‐CHA. Adsorption performances of different M(IV)‐incorporated BEA zeolites decline as Zr > Sn > Ti > Ge, where Ti‐ and Ge‐BEA, especially the latter, is obviously inferior for sugar adsorption and catalysis. Pore topology of zeolites plays an even more pronounced effect during glucose adsorption. Non‐covalent interactions contribute significantly to the adsorption processes. Dispersion effects of different framework‐M(IV) ions, although close to each other, show a clear opposite trend as adsorption energies. FER rather than other zeolites shows surprisingly high dispersion effects (e. g.; −218 kJ/mol for Sn‐FER vs. −123 kJ/mol for Sn‐BEA). It also shows that dispersion effects for the various conformational states of glucose are closely related with structural flexibilities.
Synthesis and Structural Study of Novel Selenation Derivatives of N, N‐Dialkylcyanamides
Authors: Hua Guoxiong , Du Junyi , Slawin Alexandra M. Z. , Woollins J. Derek 
Published: December 2016

AbstractThe reaction of 2,4‐bis(phenyl)‐1,3‐diselenadiphosphetane‐2,4‐diselenide {[PhP(Se)(μ‐Se)]2, Woollins’ reagent, WR} with N, N‐dialkylcyanamides 1–3 in refluxing toluene solution led to the corresponding [2+3] cycloaddition products 4‐dialkylamino‐2,5‐diphenyl‐1,3,2,5‐selenazadiphosphole 2,5‐diselenides 4–6 in good yields, the latter were further treated with water resulting in the corresponding hydrolysis derivatives dialkyl‐selenoureas 7–9, and phosphinodiselenoates 10 and 11. Selenourea 7 could be transferred into 1,3‐selenazol‐2‐amines 12–15 in excellent yields by further cyclization with four different α‐haloketones. All new compounds have been characterized by IR spectroscopy, multi‐NMR (1H, 13C, 31P, 77Se) spectroscopy and accurate mass measurement. The single crystal X‐ray structural features of nine new compounds are also discussed.
Novel Synthetic and Mechanistic Approach of TFA Catalysed Friedländer Synthesis of 2‐Acylquinolines from Symmetrical and Unsymmetrical 1,2‐Diketones with o‐Aminoarylketones
Authors: Satheeshkumar Rajendran , Shankar Ramasamy , Kaminsky Werner , JayarampillaiRajendra Prasad Karnam 
Published: December 2016

AbstractIn focussing on the reaction mechanism of Friedländer synthesis in the presence of acid catalysts, novel regioselective synthesis of 2‐acetylquinolines from reacting a symmetrical 1,2‐diketone, butan‐2,3‐dione with o‐aminoarylketones was reported. Similar condensation of o‐aminoarylketones with unsymmetrical 1,2‐diketone, pentan‐2,3‐dione leads to the formation of 2‐propanoylquinoline. The proposed reaction mechanism is scrutinized through density functional calculations at B3LYP/6‐311G (d,p) and M06‐2X/6‐311G (d,p) level of theory and also all the relative energy barriers and activation energies of the reaction steps are found to be minimum at above level of theory. Results from theoretical study have further strengthened by FT‐IR, FT‐NMR chemical shifts and structural parameters which were achieved with the same level of theory and the corresponding results were substantiate with experimental observations.
Green Synthesis of Copper Triflusalate and Pyridine Adducts
Authors: Sanchez‐Sala Marta , Portolés‐Gil Núria , Vallcorba Oriol , Domingo Concepción , López‐Periago Ana , Ayllón José A. 
Published: December 2016

AbstractConventional organic solvents are the preferred media to prepare and crystallize metallorganic materials, since the wide diversity of organic solvents allows the control of solubility parameters and precipitation kinetics. However, they are the largest waste input in fine chemical synthesis; and moreover, in the processing of materials with ester containing groups, which have a significant tendency to hydrolysis, the use of organic solvents can be too aggressive to keep the structure of labile molecules. In this context, milder methods to prepare crystalline metallorganic derivatives of triflusal (HTrf), a drug bearing an ester group, are here described. HTrf molecule itself and its derivatives have important applications in the pharmaceutical industry. In this work, copper triflusalate complexes and derived pyridine adducts are prepared via an environmentally friendly supercritical CO2 method, preserving the ester group from hydrolysis. For comparison, some intricate conventional solvent liquid methods are also envisaged. Products are fully characterized in regard of composition, structure and magnetic properties.