bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and biological screening of some novel 6‐substituted 2‐alkylpyridazin‐3(2H)‐ones as anti‐inflammatory and analgesic agents
Authors: Loksha Yasser M. , Abd‐Alhaseeb Mohammad M. 
Published: January 2020

AbstractSome novel derivatives of 2‐alkyl 6‐substituted pyridazin‐3(2H)‐ones were synthesized by condensation of 3,6‐dichloropyridazine with the sodium salt of benzyl cyanide, followed by hydrolysis and coupling with alkyl halides. The synthesized compounds were screened as cyclooxygenase (COX)‐1/COX‐2 inhibitors and as analgesic and anti‐inflammatory agents. Among the synthesized compounds, 6‐benzyl‐2‐methylpyridazin‐3(2H)‐one (4a), 6‐benzoyl‐2‐propylpyridazin‐3(2H)‐one (8b), and 6‐(hydroxy(phenyl)methyl)‐2‐methylpyridazin‐3(2H)‐one (9a) displayed the highest COX‐2 selectivity indices of 96, 99, and 98, respectively, and analgesic efficacies of 47%, 46%, and 45% protection, respectively. Also, compounds 4a, 8b, and 9a showed anti‐inflammatory activities of 65%, 60%, and 62% inhibition of edema, respectively, at a dose of 10 mg/kg, which is higher than that of diclofenac (58% inhibition of edema).
Identification of Human IDO1 Enzyme Activity by Using Genetically Encoded Nitrotyrosine
Authors: Zheng Zhaopeng , Guo Xuzhen , Yu Minling , Wang Xiaoyan , Lu Hongguang , Li Fahui , Wang Jiangyun 
Published: January 2020

AbstractHuman indoleamine 2,3‐dioxygenase 1 (IDO1) has become an increasingly valuable target for cancer immunotherapy because it promotes immune escape by tumor cells. To date, the function of post‐translational modifications (PTMs) on IDO1 has not been fully elucidated. Among the many forms of PTMs, it has been identified that three tyrosine sites (Y15, Y345, and Y353) on IDO1 are nitrated and play important roles in catalytic function. Herein, by genetically encoding 3‐nitro‐l‐tyrosine into the tyrosine nitration sites of IDO1, the homogeneous and native nitrated IDO1 have been obtained. It is found that the nitration of different tyrosine sites has different effects on the IDO1 structure and enzyme activity. Nitration at position Y15 has a negligible effect, but nitration at Y345 or Y353 decreases the enzyme activity, especially Y353. Furthermore, these results demonstrate that the regulation of the catalytic function caused by tyrosine nitration is related to perturbation of the protein structure and heme‐binding disruption.
Dental management of scleroderma patients using pentoxifylline plus vitamin E with and without TheraBite® to reduce trismus: Two case reports and brief review of literature
Authors: Reed Daniel N. , Hall David L. , Cottle James H. , Frimenko Katherine , Horton Christina K. , Abu Sharkh Farah , Beckett Rachel , Hernandez Brandon , Mabe Hannah , Mansour Shadee T. , Rodriguez Sebastian A. , Weprin Bradley , Yarborough Leigh E. 
Published: January 2020

AbstractTo provide evidence supporting the off label use of pentoxifylline and vitamin E especially by dentists with TheraByte to reduce trismus in scleroderma patients.
Effect of Surface Tension on Hydrodynamics and Mass Transfer Coefficient in Airlift Reactors
Authors: Kumar Nikesh , Gupta Renu , Bansal Ajay 
Published: January 2020

AbstractThe hydrodynamics and volumetric mass transfer coefficient play important roles in the design and scale‐up of airlift reactors. The effect of surface tension on hydrodynamics and volumetric mass transfer coefficient in internal loop airlift reactors was investigated. With reduction of the surface tension of the fluid, the hydrodynamic parameters raised, namely, gas phase holdup, flow regime transition point, and interfacial area, whereas the bubble diameter as well as the liquid velocity decreased and the volumetric mass transfer coefficient increased. Empirical correlations are proposed for gas‐phase holdup and volumetric mass transfer coefficient in terms of dimensionless numbers and can be applied in the design of airlift reactors.
Synthesis and Supramolecular Functional Assemblies of Ratiometric pH Probes
Authors: Méndez‐Ardoy Alejandro , Reina Jose J. , Montenegro Javier 
Published: January 2020

AbstractTracking pH with spatiotemporal resolution is a critical challenge for synthetic chemistry, chemical biology and beyond. Over the last decade, different small probes and supramolecular systems have emerged for in cellulo or in vivo pH tracking. However, pH reporting still presents critical limitations, such as background reduction, improved sensor stability, cell targeting, endosomal escape, near‐ and far‐infrared ratiometric pH tracking and adaption to new imaging techniques (i.e., super‐resolution). These challenges will require the combined efforts of synthetic and supramolecular chemistry working together to develop the next generation of smart materials that will resolve current limitations. Herein, recent advances in the synthesis of small fluorescent probes, together with new supramolecular functional systems employed for pH tracking, are described with an emphasis on ratiometric probes. The combination of organic synthesis and stimuli‐responsive supramolecular functional materials will be essential to solve future challenges of pH tracking, such as improved signal to noise ratio, on target activation and microenvironment reporting.
Exciton Interactions, Excimer Formation, and [2π+2π] Photodimerization in Nonconjugated Curcuminoid‐BF2 Dimers
Authors: Catherin Manon , Uranga‐Barandiaran Olatz , Brosseau Arnaud , Métivier Rémi , Canard Gabriel , D'Aléo Anthony , Casanova David , Castet Frédéric , Zaborova Elena , Fages Frédéric 
Published: January 2020

AbstractWe describe the synthesis of a series of covalently linked dimers of quadrupolar curcuminoid‐BF2 dyes and the detailed investigation of their solvent‐dependent spectroscopic and photophysical properties. In solvents of low polarity, intramolecular folding induces the formation of aggregated chromophores, the UV/Vis absorption spectra of which display the optical signature characteristic of weakly‐coupled H‐aggregates. The extent of folding and, in turn, of ground‐state aggregation is strongly dependent on the nature of the flexible linker. Steady‐state and time‐resolved fluorescence emission spectroscopies show that the Frenkel exciton relaxes into a fluorescent symmetrical excimer state with a long lifetime. Furthermore, our in‐depth studies show that a weakly emitting excimer lies on the pathway toward a photocyclomer. Two‐dimensional 1H NMR spectroscopy and density functional theory (DFT) allowed the structure of the photoproduct to be established. To our knowledge, this represents the first example of a [2π+2π] photodimerization of the curcuminoid chromophore.
Amino‐Induced 2D Cu‐Based Metal–Organic Framework as an Efficient Heterogeneous Catalyst for Aerobic Oxidation of Olefins
Authors: Tang Jia , Cai Mengke , Xie Guanqun , Bao Shixiong , Ding Shujiang , Wang Xiaoxia , Tao Jinzhang , Li Guangqin 
Published: January 2020

AbstractWith the assistance of hydrogen bonds of the o‐amino group, we have successfully tuned a coordination structure from a metal–organic polyhedron (MOP) to a two‐dimensional (2D) metal–organic framework (MOF). The amino group forms hydrogen bonds with the two vicinal carboxylic groups, and induces the ligand to coordinate with copper ions to form the 2D structure. The obtained 2D Cu‐based MOF (Cu‐AIA) has been applied as an efficient heterogeneous catalyst in the aerobic epoxidation of olefins by using air as oxygen source. Without the aggregation problem of active sites in MOPs, Cu‐AIA possesses much higher reactivity than MOP‐1. Furthermore, the amino group of the framework has been used as a modifiable site through post‐synthetic metalation (PSMet) to prepare a 2D MOF‐supported Pd single‐site heterogeneous catalyst, which shows excellent catalytic performance for the Suzuki reaction. It indicates that Cu‐AIA can also work as a good 2D MOF carrier for the derivation of other heterogeneous catalysts.
Atropisomers of meso Tetra(N‐Mesyl Pyrrol‐2‐yl) Porphyrins: Synthesis, Isolation and Characterization of All‐Pyrrolic Porphyrins
Authors: Zhu Leiming , Himmel Leonard , Merkes Jean Michél , Kiessling Fabian , Rueping Magnus , Banala Srinivas 
Published: January 2020

AbstractAtropisomerism has been observed in a variety of biaryl compounds and meso‐aryl substituted porphyrins. However, in porphyrins, this phenomenon had been shown only with o‐substituted 6‐membered aromatic groups at the meso‐position. We show herein that a 5‐membered heteroaromatic (N‐mesyl‐pyrrol‐2‐yl) group at the meso‐position leads to atropisomerism. In addition, we report a ‘one‐pot’ synthetic route for the synthesis of ‘all‐pyrrolic’ porphyrin (APP) with several N‐protection groups (Boc, Cbz, Ms and Ts). Among these groups, we found that only the Ms group gave four individually separable atropisomers of meso‐tetra(N‐Ms‐pyrrol‐2‐yl) porphyrin. Furthermore, the reductive removal of Cbz‐ was achieved to obtain meso‐tetra(pyrrol‐2‐yl) porphyrin. Thus, our synthetic procedure provides an easy access to a group of APPs and stable atropisomers, which is expected to expand the application of novel APP‐based materials.
Diagnostic capability of fine‐needle aspiration cytology in assessment of intraosseous lesions of the jaws: A systematic review
Authors: Pilati Sarah F. M. , dos Santos Natália , Melo Gilberto , Mello Fernanda W. , Rivero Elena R. C. 
Published: January 2020

AbstractPurposeTo systematically review (SR) and critically appraise studies that investigated the diagnostic capability of fine‐needle aspiration cytology (FNAC) in the assessment of intraosseous lesions of the jaws.MethodsSix main electronic databases and three gray literature databases were searched aiming diagnostic studies, which were selected in a two‐phase process. Risk of bias (RoB) of included studies was assessed using the Revised Tool for the Quality Assessment of Diagnostic Accuracy Studies.ResultsA total of eight articles were included, of which six evaluated the FNAC smear technique exclusively, one assessed both smear and cell‐block techniques, while one investigated only the cell‐block technique. With regard to the FNAC smear technique, from 134 benign lesions investigated, concordance with the histopathological diagnosis was achieved in 64.17% of cases. In addition, considering the 32 malignant lesions assessed through this technique, concordance with histopathology was achieved in all cases. Regarding the cell‐block technique, only benign lesions (n = 40) were evaluated in the included studies, in which the concordance rate with histopathology was of 77.5%. The overall RoB judgment was “at risk of bias” for seven included studies mostly due to lack of information or reportedly absence of blinding of evaluator.ConclusionsWithin the limitations of this SR, FNAC presented modest to satisfactory diagnostic capability for the assessment of intraosseous jaw lesions, showing concordance rates higher than 64% for the smear and 77% for the cell‐block technique. Also, considerably high concordance rates were found for the assessment of malignant lesions regarding FNAC smear technique.
Seed mass, hardness, and phylogeny explain the potential for endozoochory by granivorous waterbirds
Authors: Lovas‐Kiss Ádám , Vincze Orsolya , Kleyheeg Erik , Sramkó Gábor , Laczkó Levente , Fekete Réka , Molnár V. Attila , Green Andy J. 
Published: January 2020

AbstractField studies have shown that waterbirds, especially members of the Anatidae family, are major vectors of dispersal by endozoochory for a broad range of plants lacking a fleshy fruit, yet whose propagules can survive gut passage. Widely adopted dispersal syndromes ignore this dispersal mechanism, and we currently have little understanding of what traits determine the potential of angiosperms for endozoochory by waterbirds. Results from previous experimental studies have been inconsistent as to how seed traits affect seed survival and retention time in the gut and have failed to control for the influence of plant phylogeny. Using 13 angiosperm species from aquatic and terrestrial habitats representing nine families, we examined the effects of seed size, shape, and hardness on the proportion of seeds surviving gut passage through mallards (Anas platyrhynchos) and their retention time within the gut. We compiled a molecular phylogeny for these species and controlled for the nonindependence of taxa due to common descent in our analyses. Intact seeds from all 13 species were egested, but seed survival was strongly determined by phylogeny and by partial effects of seed mass and hardness (wet load): species with seeds harder than expected from their size, and smaller than expected from their loading, had greater survival. Once phylogeny was controlled for, a positive partial effect of seed roundness on seed survival was also revealed. Species with seeds harder than expected from their size had a longer mean retention time, a result retained after controlling for phylogeny. Our study is the first to demonstrate that seed shape and phylogeny are important predictors of seed survival in the avian gut. Our results demonstrate that the importance of controlling simultaneously for multiple traits and relating single traits (e.g., seed size) alone to seed survival or retention time is not a reliable way to detect important patterns, especially when phylogenetic effects are ignored.
Forecasting stock volatility in the presence of extreme shocks: Short‐term and long‐term effects
Authors: Wang Lu , Ma Feng , Liu Guoshan 
Published: January 2020

AbstractThis paper introduces a novel generalized autoregressive conditional heteroskedasticity–mixed data sampling–extreme shocks (GARCH‐MIDAS‐ES) model for stock volatility to examine whether the importance of extreme shocks changes in different time ranges. Based on different combinations of the short‐ and long‐term effects caused by extreme events, we extend the standard GARCH‐MIDAS model to characterize the different responses of the stock market for short‐ and long‐term horizons, separately or in combination. The unique timespan of nearly 100 years of the Dow Jones Industrial Average (DJIA) daily returns allows us to understand the stock market volatility under extreme shocks from a historical perspective. The in‐sample empirical results clearly show that the DJIA stock volatility is best fitted to the GARCH‐MIDAS‐SLES model by including the short‐ and long‐term impacts of extreme shocks for all forecasting horizons. The out‐of‐sample results and robustness tests emphasize the significance of decomposing the effect of extreme shocks into short‐ and long‐term effects to improve the accuracy of the DJIA volatility forecasts.
Simulation and statistical modelling approaches to investigate hydrologic regime transformations following Eastern hemlock decline
Authors: Singh Kanishka , Knighton James , Whitmore Mark , Walter M. Todd , Lassoie James P. 
Published: January 2020

AbstractEcohydrological processes occurring at or near the Earth's surface are strongly influenced by Eastern hemlock [EH; Tsuga canadensis (L.) Carrière], a foundation tree species of eastern North American forests. EH populations are currently threatened by the invasive hemlock woolly adelgid (HWA; Adelges tsugae Annand). HWA HWA populations have been expanding rapidly throughout the EH's range. Catchment‐scale research examining the hydrological consequences of HWA infestation is lacking, and plot‐scale studies remain conflicted in their findings. Given the complex relationships between canopy interception, unsaturated and saturated groundwater storage, and root water uptake, it is not immediately clear how EH loss will affect the hydrologic cycle. We investigated the impact of EH mortality on stream discharge characteristics across a regional sample of catchments utilizing both simulation and statistical modelling approaches. We first examined the relationship between various catchment characteristics, including EH health, and three hydrological variables through regression analysis. We then employed a non‐parametric statistical test to evaluate differences in hydrologic regime trends between non‐infested and infested catchments. Finally, we calibrated a physically based hydrologic model and considered differences in optimal model parameter values and simulated overland runoff between non‐infested and infested catchments. HWA presence modified several ecohydrological characteristics and precipitation partitioning between groundwater flows and surface runoff, potentially driving higher stream flashiness and overland flow, lower baseflow contributions and catchment storage, shorter flow‐path lengths, and variable source area dilation at infested sites. Our results suggest that EH decline will augment flooding potential associated with the increasing frequency and intensity of Atlantic Basin tropical cyclone events. Further, our physically based simulation provides more determinate results than regression analysis, indicating that a purely statistical methodology, commonly utilized in studying the relationship between landcover characteristics and hydrologic regime, neglects dynamic physical ecohydrologic relationships.
Dual‐hybrid direct random phase approximation and second‐order screened exchange with nonlocal van der Waals correlations for noncovalent interactions
Authors: Yu Feng , Wang Yaoting 
Published: January 2020

AbstractWe have added the nonlocal van der Waals correlation energy functional of Vydrov and Van Voorhis in 2010 (VV10NL) to the dual‐hybrid direct random phase approximation (dRPA75) and second‐order screened exchange (SOSEX75) for noncovalent interactions. The obtained methods are denoted as dRPA75‐NL and SOSEX75‐NL, and the corresponding short‐range attenuation parameters are fitted with the large aug‐cc‐pV5Z basis set against the S66 dataset. Therefore, the dRPA75‐NL method overcomes the error cancellation problem of the dRPA75 method with the relatively small aug‐cc‐pVTZ basis set for noncovalent interactions. Based on our benchmark computations, the dRPA75‐NL and SOSEX75‐NL methods perform very well on evaluating noncovalent interaction energies. Compared with the double‐hybrid density functionals (DHDFs) of DSD‐PBEP86‐NL and DOD‐PBEP86‐NL, the dRPA75‐NL and SOSEX75‐NL methods perform much better on charge transfer interactions. Furthermore, the SOSEX75‐NL method also gives insight into the development of computational methods for both closed‐shell and open‐shell noncovalent interactions. In summary, our computations demonstrate that even the full dRPA and SOSEX correlations still need additional dispersion corrections for noncovalent interactions.
Genetic variation in NRG 1 gene and risk of post‐traumatic stress disorders in patients with hepatocellular carcinoma
Authors: Luo Liumei , Li Li , Guo Min , Chen Xi , Lin Yuzhu , Wu Dingyin 
Published: January 2020

AbstractObjectiveNeuregulin 1 (NRG1) was proved to play an important role in numerous neurodevelopmental processes. In our study, we aimed to investigate the relationship between the NRG1 gene polymorphism and the cognitive function of patients with hepatocellular carcinoma (HCC) complicated with post‐traumatic stress disorders (PTSD) before and after the psychological intervention.MethodsMini‐mental State Examination (MMSE), Montreal Cognitive Assessment (MoCA), and Loewenstein Occupational Therapy Cognitive Assessment (LOTCA) were used for cognitive function assessment. Serum level of NRG1 was detected by ELISA, and the correlation between NRG1 level and cognitive function was analyzed. The difference of cognitive function score of patients with HCC complicated with PTSD before and after psychological intervention was compared, and the relationship between rs35753505 and rs3924999 polymorphism with the score was analyzed.ResultsPatients with HCC complicated with PTSD showed decreased serum NRG1 level. NRG1 levels of patients in the HCC + PTSD group were positively correlated with MMSE, MoCA, and LOTCA scores. In rs35753505, the CC genotype was a risk factor for the occurrence of PTSD in patients with HCC, while in rs3924999, the GG genotype was a risk factor for the occurrence of PTSD in patients with HCC. After psychological intervention, the CC genotype at rs35753505 and the GG genotype at rs3924999 were susceptible genotypes.ConclusionCC genotype at rs35753505 and GG genotype at rs3924999 of NRG1 gene increased the risk of PTSD in patients with HCC. CC and GG genotypes were susceptible after psychological intervention.
INCOME INEQUALITY AND CARBON DIOXIDE EMISSIONS: EVIDENCE FROM LATIN AMERICA
Authors: Mittmann Zenir , de Mattos Ely José 
Published: January 2020

ABSTRACTThe recent literature has explored the ambiguous theoretical links between inequality and environmental impact. However, few studies have investigated those links in developing countries. This paper explores the role of income inequality in the per capita emission of CO2 in Latin America. We estimate the impact of income inequality on carbon dioxide emissions, while simultaneously considering national income levels. The results suggest quadratic relationships between environmental impact and both gross domestic product per capita and inequality. Income inequality influences CO2 emissions, but the direction depends on income level. The complexities of the results are analytically explored in the paper. © 2020 John Wiley & Sons, Ltd.
Dietary flavonoid intake and risk of periodontitis
Authors: Alhassani Ahmed A. , Hu Frank B. , Rimm Eric B. , Li Yanping , Rosner Bernard A. , Willett Walter C. , Joshipura Kaumudi J. 
Published: January 2020

AbstractBackgroundThe anti‐inflammatory effect associated with flavonoid‐containing foods and beverages could potentially impact the risk of periodontal disease. We prospectively investigate the associations between habitual flavonoid intake and incidence of periodontitis.MethodsThe study population was 34,940 men from the Health Professionals Follow‐Up Study, who were healthy and free of periodontal disease at baseline (1986). Participants in the study provided medical and dental history through mailed questionnaires biennially, and provided dietary data through semi‐quantitative food frequency questionnaires every 4 years. We examined the associations between total flavonoids and six flavonoid subclasses (flavonoid polymers, anthocyanins, flavan‐3‐ols, flavanones, flavones, and flavonols) and incidence of periodontitis using Cox proportional hazard models. We adjusted for age, smoking, body mass index, physical activity, alcohol consumption, Alternative Healthy Eating Index, and diabetes.ResultsThere was no association between total flavonoids and the risk of periodontitis. The hazard ratio comparing the highest quintile of total flavonoid to the lowest quintile was 0.97 (95% confidence interval: 0.87 to 1.08, P‐value for trend = 0.61). Similar comparisons for flavonoids subclasses also did not show significant associations.ConclusionNo association was detected between habitual flavonoid intake and risk of periodontitis in the study population.