bluuebunny/crossref_metadata_2025_split huggingface dataset:
Alkyne Difunctionalization by Dual Gold/Photoredox Catalysis
Authors: Tlahuext‐Aca Adrian , Hopkinson Matthew N. , Garza‐Sanchez R. Aleyda , Glorius Frank 
Published: February 2016

AbstractHighly selective tandem nucleophilic addition/cross‐coupling reactions of alkynes have been developed using visible‐light‐promoted dual gold/photoredox catalysis. The simultaneous oxidation of AuI and coordination of the coupling partner by photo‐generated aryl radicals, and the use of catalytically inactive gold precatalysts allows for high levels of selectivity for the cross‐coupled products without competing hydrofunctionalization or homocoupling. As demonstrated in representative arylative Meyer–Schuster and hydration reactions, this work expands the scope of dual gold/photoredox catalysis to the largest class of substrates for gold catalysts and benefits from the mild and environmentally attractive nature of visible‐light activation.
Char combustion of ellipsoidal particles in a hot gas with fluctuating temperature
Authors: Li Jie , Zhang Jian 
Published: February 2016

AbstractChar combustion of biomass particles is a significant thermo‐chemical conversion process. The char combustion process of biomass particles with gas temperature fluctuation is numerically investigated. Considering the non‐spherical shape of biomass particles, a fully algebraic expression of burning enhancement factor is theoretically derived to modify the char combustion rate of ellipsoidal particles. Four solid biofuel samples (cynara, pinewood, willow, and cardoon) are chosen for the calculations. The instantaneous mass variations and char combustion rates of biomass particles are calculated under different particle sphericities. Different kinetic parameters of biomass samples lead to various effects of gas temperature fluctuation on char combustion. The gas temperature fluctuation generally enhances the char combustion rate. Increasing the fluctuation frequency of gas temperature has no effect on char combustion. Under the same particle surface area, the char combustion rate is enhanced with decreasing particle sphericity.
Small‐Molecule CD4 Mimics Containing Mono‐cyclohexyl Moieties as HIV Entry Inhibitors
Authors: Ohashi Nami , Harada Shigeyoshi , Mizuguchi Takaaki , Irahara Yu , Yamada Yuko , Kotani Misato , Nomura Wataru , Matsushita Shuzo , Yoshimura Kazuhisa , Tamamura Hirokazu 
Published: February 2016

AbstractCD4 mimics are small molecules that inhibit the protein–protein interaction between gp120 and CD4, which is a key interaction for the entry of human immunodeficiency virus (HIV) into host immune cells. In the present study, mono‐cyclohexyl‐type CD4 mimics were designed to form hydrophobic and electrostatic interactions with Val430 and Asp368 located in the entrance of the Phe43 cavity of gp120, the interaction site of CD4. YIR‐329, a novel 1‐azaspiro[5.5]undecane derivative with a cyclohexyl ring attached to the piperidine ring, exhibited only slightly weaker anti‐HIV activity than a previously described lead HAR‐171, and modeling results indicated the formation of advantageous interactions by the para‐chlorophenyl moiety of YIR‐329. To introduce an electrostatic interaction with Asp368, derivatives with a guanidino group on the piperidine nitrogen atom were synthesized. Mono‐cyclohexyl‐type CD4 mimics with a guanidino group, such as YIR‐819 (N1‐(4‐chlorophenyl)‐N2‐(1‐(2‐(N‐(amidino)glycinamide)ethyl)‐2‐cyclohexylpiperidin‐4‐yl)oxalamide) and YIR‐821 (1‐(2‐(5‐guanidinovaleramide)ethyl derivative of YIR‐819), were identified that exhibit approximately fivefold more potent anti‐HIV activity than YIR‐329. In combination with a neutralizing antibody, their anti‐HIV activities were augmenting. Modeling results suggest that these compounds interact effectively with Val430 and either Asp368 or Asp474 in the gp120 Phe43 cavity. YIR‐819 and YIR‐821 represent useful lead compounds for the further development of HIV‐1 entry inhibitors and could potentially be useful for co‐administration with neutralizing antibodies for the treatment of HIV infection and AIDS.
Multi‐scale finite element modeling of Eustachian tube function: influence of mucosal adhesion
Authors: Malik J. E. , Swarts J. D. , Ghadiali S. N. 
Published: February 2016

SummaryThe inability to open the collapsible Eustachian tube (ET) leads to the development of chronic Otitis Media (OM). Although mucosal inflammation during OM leads to increased mucin gene expression and elevated adhesion forces within the ET lumen, it is not known how changes in mucosal adhesion alter the biomechanical mechanisms of ET function. In this study, we developed a novel multi‐scale finite element model of ET function in adults that utilizes adhesion spring elements to simulate changes in mucosal adhesion. Models were created for six adult subjects, and dynamic patterns in muscle contraction were used to simulate the wave‐like opening of the ET that occurs during swallowing. Results indicate that ET opening is highly sensitive to the level of mucosal adhesion and that exceeding a critical value of adhesion leads to rapid ET dysfunction. Parameter variation studies and sensitivity analysis indicate that increased mucosal adhesion alters the relative importance of several tissue biomechanical properties. For example, increases in mucosal adhesion reduced the sensitivity of ET function to tensor veli palatini muscle forces but did not alter the insensitivity of ET function to levator veli palatini muscle forces. Interestingly, although changes in cartilage stiffness did not significantly influence ET opening under low adhesion conditions, ET opening was highly sensitive to changes in cartilage stiffness under high adhesion conditions. Therefore, our multi‐scale computational models indicate that changes in mucosal adhesion as would occur during inflammatory OM alter the biomechanical mechanisms of ET function. Copyright © 2016 John Wiley & Sons, Ltd.
BODIPY‐Based Nanomicelles as Near‐Infrared Fluorescent “Turn‐On” Sensors for Biogenic Thiols
Authors: Huang Ling , Duan Ran , Li Zhanjun , Zhang Yuanwei , Zhao Jianzhang , Han Gang 
Published: February 2016

AbstractWe report novel, aqueous, soluble, distyryl boron dipyrromethene (BODIPY)‐containing nanomicelles as biogenic thiol sensors with near‐infrared (NIR) “turn‐on” properties. The average hydrodynamic diameter of these nanomicelles is 30 nm. They show good photostability, are selective towards biogenic thiols, and function within a broad pH window (pH 3–10). Near‐infrared‐emitting distyryl‐BODIPY was chemically linked to fluorescence quencher group of 2,4‐dinitrobenzenesulfonyl (DNBS) and was then water solubilized and formed into nanomicelles via polylactic acid‐polyethylene glycol (PLA‐PEG) encapsulation. When thiols react with the DNBS moiety, we observe subsequent recovery of distyryl‐BODIPY fluorescence both in vitro and in living cells. This work provides a simple and general method to construct intracellular nanoprobes for biogenic thiols and may pave the way to the development other fluorescence‐dye‐based sensors.
Nanostructuration Effect on the Thermal Behavior of Ionic Liquids
Authors: Rodrigues Ana S. M. C. , Santos Luís M. N. B. F. 
Published: February 2016

AbstractThis work shows how the nanostructuration of ionic liquids (ILs) governs the glass and melting transitions of the bistriflimide imidazolium‐based [CnC1im][NTf2] and [CnCnim][NTf2] series, which highlights the trend shift that occurs at the critical alkyl size (CAS) of n=6. An initial increase in the glass temperature (Tg) with an increase in the alkyl side chain was observed due to the intensification of the dispersive interactions (van der Waals). Above the CAS, the −CH2− increment has the same effect in both glass and liquid states, which leads to a plateau in the glass transition after nanostructuration. The melting temperature (Tm) of the [CnC1im][NTf2] and [CnCnim][NTf2] series presents a V‐shaped profile. For the short‐alkyl ILs, the −CH2− increment affects the electrostatic ion pair interactions, which leads to an increase in the conformational entropy. The −CH2− increment disturbs the packing ability of the ILs and leads to a higher entropy value (
) and consequently a decrease in Tm. Above the CAS, the −CH2− contribution to the melting temperature becomes more regular, as a consequence of the nanostructuration of the IL into polar and nonpolar domains. The dependence of the alkyl chain on the temperature, enthalpy, and entropy of melting in the ILs above the CAS is very similar to the one observed for the alkane series, which highlights the importance of the nonpolar alkyl domains on the ILs thermal behavior.
Addressing the Requirements of High‐Sensitivity Single‐Molecule Imaging of Low‐Copy‐Number Proteins in Bacteria
Authors: Tuson Hannah H. , Aliaj Alisa , Brandes Eileen R. , Simmons Lyle A. , Biteen Julie S. 
Published: February 2016

AbstractSingle‐molecule fluorescence super‐resolution imaging and tracking provide nanometer‐scale information about subcellular protein positions and dynamics. These single‐molecule imaging experiments can be very powerful, but they are best suited to high‐copy number proteins where many measurements can be made sequentially in each cell. We describe artifacts associated with the challenge of imaging a protein expressed in only a few copies per cell. We image live Bacillus subtilis in a fluorescence microscope, and demonstrate that under standard single‐molecule imaging conditions, unlabeled B. subtilis cells display punctate red fluorescent spots indistinguishable from the few PAmCherry fluorescent protein single molecules under investigation. All Bacillus species investigated were strongly affected by this artifact, whereas we did not find a significant number of these background sources in two other species we investigated, Enterococcus faecalis and Escherichia coli. With single‐molecule resolution, we characterize the number, spatial distribution, and intensities of these impurity spots.
Using (FH)2and (FH)3to Bridge the σ‐Hole and the Lone Pair at P in Complexes with H2XP, for X=CH3, OH, H, CCH, F, Cl, NC, and CN
Authors: Del Bene Janet E. , Alkorta Ibon , Elguero José 
Published: February 2016

AbstractAb initio MP2/aug′‐cc‐pVTZ calculations are used to investigate the binary complexes H2XP:HF, the ternary complexes H2XP:(FH)2, and the quaternary complexes H2XP:(FH)3, for X=CH3, OH, H, CCH, F, Cl, NC, and CN. Hydrogen‐bonded (HB) binary complexes are formed between all H2XP molecules and FH, but only H2FP, H2ClP, and H2(NC)P form pnicogen‐bonded (ZB) complexes with FH. Ternary complexes with (FH)2are stabilized by F−H⋅⋅⋅P and F−H⋅⋅⋅F hydrogen bonds and F⋅⋅⋅P pnicogen bonds, except for H2(CH3)P:(FH)2and H3P:(FH)2, which do not have pnicogen bonds. All quaternary complexes H2XP:(FH)3are stabilized by both F−H⋅⋅⋅P and F−H⋅⋅⋅F hydrogen bonds and P⋅⋅⋅F pnicogen bonds. Thus, (FH)2with two exceptions, and (FH)3can bridge the σ‐hole and the lone pair at P in these complexes. The binding energies of H2XP:(FH)3complexes are significantly greater than the binding energies of H2XP:(FH)2complexes, and nonadditivities are synergistic in both series. Charge transfer occurs across all intermolecular bonds from the lone‐pair donor atom to an antibonding σ* orbital of the acceptor molecule, and stabilizes these complexes. Charge‐transfer energies across the pnicogen bond correlate with the intermolecular P−F distance, while charge‐transfer energies across F−H⋅⋅⋅P and F−H⋅⋅⋅F hydrogen bonds correlate with the distance between the lone‐pair donor atom and the hydrogen‐bonded H atom. In binary and quaternary complexes, charge transfer energies also correlate with the distance between the electron‐donor atom and the hydrogen‐bonded F atom. EOM‐CCSD spin‐spin coupling constants2hJ(F–P) across F−H⋅⋅⋅P hydrogen bonds, and1pJ(P–F) across pnicogen bonds in binary, ternary, and quaternary complexes exhibit strong correlations with the corresponding intermolecular distances. Hydrogen bonds are better transmitters of F–P coupling data than pnicogen bonds, despite the longer F⋅⋅⋅P distances in F−H⋅⋅⋅P hydrogen bonds compared to P⋅⋅⋅F pnicogen bonds. There is a correlation between the two bond coupling constants2hJ(F–F) in the quaternary complexes and the corresponding intermolecular distances, but not in the ternary complexes, a reflection of the distorted geometries of the bridging dimers in ternary complexes.
Obesity and post‐operative cognitive dysfunction: a systematic review and meta‐analysis
Authors: Feinkohl Insa , Winterer Georg , Pischon Tobias 
Published: February 2016

AbstractBackgroundPost‐operative cognitive dysfunction, a condition distinct from post‐operative delirium (POD), occurs frequently after surgery, and is related to dementia and premature death. Obesity increases the risk of late‐life cognitive impairment, but little is known about its role in post‐operative cognitive dysfunction. We conducted a systematic review and meta‐analysis of studies on the association between obesity and risk of post‐operative cognitive dysfunction.MethodsPubMed and the Cochrane Library were systematically searched. Studies were included if they had prospective designs, reported on human adults undergoing surgery, if cognitive function was measured pre‐ and post‐surgery, if obesity, body mass index (BMI) and/or body weight were ascertained, and if associations with post‐operative cognitive dysfunction were reported as relative risks or odds ratios. Underweight, weight loss, and post‐operative delirium were not considered.ResultsInclusion criteria were met by six articles. Samples totaled 1432 older patients (mean age ≥62 years) who were followed up for 24 h to 12 months after surgery. Analysis of studies with obesity defined as a categorical measure found a non‐significantly higher risk of post‐operative cognitive dysfunction among persons with BMI > 30 kg/m2 versus ≤30 kg/m2 (relative risk 1.27; 95% confidence interval 0.95, 1.70; p = 0.10). No such associations were found for studies that analysed BMI or body weight continuously as predictors of post‐operative cognitive dysfunction (relative risk 0.98 per kg/m2; 95% confidence interval 0.93, 1.03, p = 0.45; relative risk 0.99 per kg; 95% confidence interval 0.89, 1.09; p = 0.83, respectively).ConclusionsFew studies have addressed the topic, and the results of these studies provide only limited support for an increased risk of post‐operative cognitive dysfunction in patients who are obese. Further large‐scale, prospective investigations are necessary for clarification. Copyright © 2016 John Wiley & Sons, Ltd.
Mir‐217 promotes inflammation and fibrosis in high glucose cultured rat glomerular mesangial cells via Sirt1/HIF‐1α signaling pathway
Authors: Shao Ying , Lv Chuan , Wu Can , Zhou Yuehong , Wang Qiuyue 
Published: February 2016

AbstractBackgroundSilent information regulator 1 (Sirt1) plays a protective role in kidney. Sirt1 suppresses activation of hypoxia‐inducible factor‐1 alpha (HIF‐1α), with MircroRNA‐217 (Mir‐217) being closely related to Sirt1. The relationship of Sirt1, HIF‐1α and Mir‐217, however, has never been reported in high glucose cultured rat glomerular mesangial cells (RMCs). Thus, we explored the role of Mir‐217 on inflammation and fibrosis in RMCs cultured with high glucose in vitro through Sirt1/HIF‐1α signaling pathway.MethodsRat glomerular mesangial cells were pre‐incubated with Sirt1 activator Resveratrol prior to high glucose treatment. Furthermore the cells were transiently transfected with Sirt1 small interfering RNA (siRNA), HIF‐1α siRNA and Mir‐217 inhibitor using Lipofectamine 2000. Real‐time PCR was used to analyse the expression of Mir‐217, Sirt1 mRNA and HIF‐1α mRNA; Western Blot was used to observe protein expression of Sirt1, HIF‐1α, connective tissue growth factor, endothelin‐1 and fibronectin; enzyme‐linked immunosorbent assay was used to detect protein expression of transforming growth factor‐β1 and vascular endothelial growth factor.ResultsHigh glucose increased Mir‐217 expression. High glucose decreased Sirt1 expression, accompanied by the increased HIF‐1α expression and then promoted inflammation and fibrosis. In addition, Mir‐217 gene silencing or Resveratrol could suppress the expression of HIF‐1α, which in turn restrained inflammation and fibrosis in rat glomerular mesangial cells cultured with high glucose.ConclusionThis study clarified the role of Mir‐217 in high glucose cultured rat glomerular mesangial cells through Sirt1/HIF‐1α signaling pathway and provided new therapeutic targets for diabetic nephropathy. Copyright © 2016 John Wiley & Sons, Ltd.
Caffeine intake enhances the benefits of sodium glucose transporter 2 inhibitor
Authors: Hashimoto Yoshitaka , Tanaka Muhei , Yamazaki Masahiro , Nakano Koji , Ushigome Emi , Okada Hiroshi , Oda Yohei , Nakamura Naoto , Fukui Michiaki 
Published: February 2016

AbstractBackgroundThe effect of sodium glucose transporter 2 (SGLT‐2) inhibitors is dependent on the glomerular filtration rate. It has been reported that caffeine intake increases glomerular filtration rate. However, the effect of caffeine intake on urinary glucose excretion in patients who take SGLT‐2 inhibitors is unclear.MethodsSix patients with type 2 diabetes took part in a randomized, open‐label, crossover pilot study. The patients took SGLT‐2 inhibitors (ipragliflozin) for 9 days. On day 3, 6 and 9, the patients were assigned to one of three studies: Water 500, patients drank 500 mL of water in 3 h; Water 1500, patients drank 1500 mL of water in 3 h; and Caffeine 500, patients drank 500 mL of water with 400 mg of caffeine in 3 h. In all of the studies, the patients' urine was collected over a 6‐h period. In addition, we enrolled 60 patients with type 2 diabetes who newly took SGLT‐2 inhibitors in a 3‐month follow‐up cohort study to investigate the effect of caffeine intake on glucose control. Caffeine intake was evaluated using questionnaires.ResultsThe 6‐h median (interquartile range) urinary glucose excretion was 9.5 (8.5–9.7) g in Water 500, 12.2 (10.3–27.2) g in Water 1500 and 15.7 (11.4–21.4) g in Caffeine 500 (p = 0.005 vs Water 500). In the cohort study, multiple regression analysis demonstrated that log (caffeine intake) was associated with a change in HbA1c (β = −0.299, p = 0.043) after adjusting for covariates.ConclusionsCaffeine intake enhanced the effect of SGLT‐2 inhibitors. Copyright © 2016 John Wiley & Sons, Ltd.
The relationship between three eGFR formulas and hospitalization for heart failure in 54 486 individuals with type 2 diabetes
Authors: Tancredi Mauro , Rosengren Annika , Olsson Marita , Gudbjörnsdottir Soffia , Svensson Ann‐Marie , Haraldsson B. , Lind Marcus 
Published: February 2016

AbstractObjectiveThis study aims to study the association between renal function and hospitalization for heart failure (HF) in individuals with type 2 diabetes.MethodsRenal function was determined according to three formulas used to estimate glomerular filtration rate (eGFR): Cockcroft–Gault, modified diet in renal disease (MDRD) and chronic kidney disease epidemiology (CKD‐EPI). Proportional hazards regression models adjusted for age, sex, HbA1c, blood pressure, smoking and cardiovascular comorbidities were constructed for each eGFR formula to estimate risk of hospitalization for heart failure. Systematic pairwise likelihood ratio tests of nested models were used to compare the predictive power of each eGFR formula.ResultsIn 54 486 patients, evaluated over a median follow‐up of 7.0 years, a total of 5936 (10.9%) developed heart failure, with an excess risk in all eGFR categories below 60 mL/min/1.73 m2 (reference: eGFR >90 mL/min/1.73 m2). Hazard ratios ranged from 1.25 to 1.35 for eGFR 45–60 mL/min/1.73 m2, 1.62 to 1.66 for eGFR 30–45 mL/min/1.73 m2 and 2.18 to 2.52 for eGFR <30 mL/min/1.73 m2 in the three eGFR formulas. In pairwise comparisons, the model with the MDRD variable added significantly more information than the Cockcroft–Gault variable. For the model with the CKD‐EPI variable, no clear differences in predictive power for HF hospitalization existed in relation to the other eGFR formulas.ConclusionPatients with type 2 diabetes, with eGFR 45 to 60 mL/min/1.73 m2, have approximately 25–35% increased risk of hospitalization for HF, increasing with lower eGFR, to 2–2.5 times in those with eGFR <30 mL/min/1.73 m2. The MDRD formula for calculating eGFR is more predictive of hospitalization for heart failure than the Cockcroft–Gault formula. Copyright © 2016 John Wiley & Sons, Ltd.
Trophic overlap between fish and riparian spiders: potential impacts of an invasive fish on terrestrial consumers
Authors: Jackson Michelle C. , Woodford Darragh J. , Bellingan Terence A. , Weyl Olaf L. F. , Potgieter Michael J. , Rivers‐Moore Nick A. , Ellender Bruce R. , Fourie Hermina E. , Chimimba Christian T. 
Published: February 2016

AbstractStudies on resource sharing and partitioning generally consider species that occur in the same habitat. However, subsidies between linked habitats, such as streams and riparian zones, create potential for competition between populations which never directly interact. Evidence suggests that the abundance of riparian consumers declines after fish invasion and a subsequent increase in resource sharing of emerging insects. However, diet overlap has not been investigated. Here, we examine the trophic niche of native fish, invasive fish, and native spiders in South Africa using stable isotope analysis. We compared spider abundance and diet at upstream fishless and downstream fish sites and quantified niche overlap with invasive and native fish. Spider abundance was consistently higher at upstream fishless sites compared with paired downstream fish sites, suggesting that the fish reduced aquatic resource availability to riparian consumers. Spiders incorporated more aquatic than terrestrial insects in their diet, with aquatic insects accounting for 45–90% of spider mass. In three of four invaded trout rivers, we found that the average proportion of aquatic resources in web‐building spider diet was higher at fishless sites compared to fish sites. The probability of web‐building and ground spiders overlapping into the trophic niche of invasive brown and rainbow trout was as high as 26 and 51%, respectively. In contrast, the probability of spiders overlapping into the trophic niche of native fish was always less than 5%. Our results suggest that spiders share resources with invasive fish. In contrast, spiders had a low probability of trophic overlap with native fish indicating that the traits of invaders may be important in determining their influence on ecosystem subsidies. We have added to the growing body of evidence that invaders can have cross‐ecosystem impacts and demonstrated that this can be due to niche overlap.
Optimization of Switching Phase of a Single‐Phase PWM dc–ac Inverter
Authors: MORITA KAZUYA , SHINDO TAKUYA , KURIHARA TAKUYA , JIN'NO KENYA 
Published: February 2016

SUMMARYThe purpose of this paper is to improve the efficiency of the single‐phase pulse width modulation (PWM) dc–ac inverter based on optimization of the switching phase of the PWM. Improvement of the efficiency means improvement of the quality of the output waveform and the conversion efficiency, and reduction of the switching loss. We propose an evaluation method involving minimization of the evaluation function by using the particle swarm optimization algorithm. We improve efficiency by setting a criterion for each index. As a result, the proposed algorithm can reduce high harmonic components in switching times shorter than the conventional triangle wave comparison method. Also, we confirm that the algorithm can improve the quality of the output waveform and the efficiency of conversion.