bluuebunny/crossref_metadata_2025_split huggingface dataset:
Palladium‐Catalyzed Ligand‐Controlled Selective Synthesis of Aldehydes and Acids from Aryl Halides and Formic Acid
Authors: Wu Fu‐Peng , Peng Jin‐Bao , Meng Ling‐Shen , Qi Xinxin , Wu Xiao‐Feng 
Published: March 2017

AbstractSelective synthesis is in the core of modern organic chemistry. In this communication, a novel ligand‐dependent palladium‐catalyzed carbonylation procedure for the divergent synthesis of aldehydes and carboxylic acids from easily available aryl halides was established. Under the same reaction conditions, the reaction pathway could be controlled by the ligands applied to give formylated and carboxylated products selectively. Sterically hindered monodentate ligands facilitated the reductive carbonylation and provided aldehydes, whereas bidentate ligands preferred the carboxylation reaction and produced carboxylic acids. A wide range of functional groups were tolerated, and the products were, in general, obtained in moderate to excellent yields.
Molecular Hybridization Tools in the Development of Furoxan‐Based NO‐Donor Prodrugs
Authors: Fershtat Leonid L. , Makhova Nina N. 
Published: March 2017

AbstractThe molecular hybridization of different compounds with known pharmacological activity is a particularly prominent approach for the design of potential drugs with improved pharmacokinetic profiles. Much attention over the last decade has been focused on the synthesis of hybrid structures with a nitric oxide (NO)‐donor framework, as NO is a ubiquitous and crucial regulator of cellular metabolism, affecting various physiological and pathophysiological processes. 1,2,5‐Oxadiazole 2‐oxides (furoxans), which are capable of exogenous NO release in the presence of thiol cofactors, are an important class of prospective NO donors. As such, a wide range of hybrid compounds that combine a furoxan ring with various pharmacologically active structures have been created. This review focuses on recent results in the synthesis and pharmacological activity of furoxan‐based hybrids. Special attention is given to chemo‐ and regioselective methods used in the preparation of these hybrid structures, and the role of synergistic effects on their pharmacological activity, associated with the furoxan fragment.
Empirical and Computational Insights into N‐Arylation Reactions Catalyzed by Palladium meta‐Terarylphosphine Catalyst
Authors: Yong Fui Fong , Mak Adrian M. , Wu Wenqin , Sullivan Michael B. , Robins Edward G. , Johannes Charles W. , Jong Howard , Lim Yee Hwee 
Published: March 2017

AbstractAn in situ generated Pd–Cy*Phine catalyst has been successfully applied to the N‐arylation of primary and secondary amines, and it exhibited high performance across multiple substrate classes. The performance induced by the meta‐terarylphosphine motif of the Cy*Phine ligand for C−N cross‐coupling displayed only subtle differences to that of its biarylphosphine congener XPhos. DFT studies demonstrated comparable reaction energetics in the catalytic cycle steps for both Pd–Cy*Phine and Pd–XPhos, which was consistent with previous findings. The computational investigation also indicated that a putative rate‐determining step occurred after amine binding, which was likely to have annulled the expected benefits of having a meta‐terarylphosphine ligand architecture.
Lack of adjunctive effect of 0.1% sodium hypochlorite mouthwash combined to full‐mouth ultrasonic debridement on supragingival plaque, gingival inflammation, and subgingival microbiota: A randomized placebo‐controlled 6‐month trial
Authors: Espíndola Laís Christina Pontes , Colombo Ana Paula Vieira 
Published: March 2017

AbstractTo test the adjunctive effect of 0.1% sodium hypochlorite (NaOCl) mouthwash combined to full‐mouth ultrasonic debridement (FMUD) on reducing supragingival plaque, gingival inflammation, and microbial pathogens. In this 6‐month double‐blinded randomized clinical trial, individuals with gingivitis were assigned to test (n = 16) or placebo group (n = 16) and received FMUD followed by rinsing with 0.1% NaOCl (test) or distilled water (placebo), respectively, twice a day for 1 month. Full‐mouth periodontal examination was performed at baseline, 1, 3, and 6 months posttherapy, and subgingival plaque samples were obtained at the same time points and analysed for their composition by checkerboard. Differences between groups over time were examined by Student t test, Mann–Whitney, generalized linear model, and Friedman and chi‐square tests. Both therapeutic protocols resulted in significant clinical improvement in periodontal parameters over time, except for probing depth and attachment level, which had a slight mean increase of 0.2 mm (p < .01). No significant differences between groups were observed for any clinical parameter (p > .05). Most species (>65%) decreased similarly in levels in both groups over time. Significant reductions in the microbial complexes were seen mainly at 1 and 3 months, but they returned to baseline levels in both groups, except for the red and yellow complexes, and other oral species, which were kept in low levels at 6 months (p < .05). A 0.1% NaOCl mouthwash did not provide additional benefits to FMUD in reducing supragingival plaque, gingivitis, and/or microbial pathogens.
Applications of label‐free, quantitative phase holographic imaging cytometry to the development of multi‐specific nanoscale pharmaceutical formulations
Authors: Luther Ed , Mendes Livia P. , Pan Jiyai , Costa Daniel F. , Torchilin Vladimir P. 
Published: March 2017

AbstractA label‐free, high content, time‐lapse holographic imaging system was applied to studies in pharmaceutical compound development. Multiple fields of cellular images are obtained over typically several day evaluations within standard CO2 incubators. Events are segmented to obtain population data of cellular features, which are displayed in scattergrams and histograms. Cell tracking is accomplished, accompanied by Cartesian plots of cell movement, as well as plots of cell features vs. time in novel 4‐D displays of X position, Y position, time, and cell thickness. Our review of the instrument validation data includes 1) tracking of Giant HeLa cells, which may be undergoing neosis, a process of tumor stem cell generation; 2) tracking the effects of cell cycle related toxic agents on cell lines; 3) using MicroRNAs to reverse the polarization state in macrophages to induce tumor cell killing; 4) development of liposomal nanoformulations to overcome Multi‐Drug Resistance (MDR) in ovarian cancer cells; and 5) development of dual sensitive micelles to specifically target matrix metalloproteinase 2 (MMP2) over‐expressing cell lines. © 2017 International Society for Advancement of Cytometry
Designing better frog call recognition models
Authors: Crump Paul S. , Houlahan Jeff 
Published: March 2017

AbstractAdvances in bioacoustic technology, such as the use of automatic recording devices, allow wildlife monitoring at large spatial scales. However, such technology can produce enormous amounts of audio data that must be processed and analyzed. One potential solution to this problem is the use of automated sound recognition tools, but we lack a general framework for developing and validating these tools. Recognizers are computer models of an animal sound assembled from “training data” (i.e., actual samples of vocalizations). The settings of variables used to create recognizers can impact performance, and the use of different settings can result in large differences in error rates that can be exploited for different monitoring objectives. We used Song Scope (Wildlife Acoustics Inc.) to build recognizers and vocalizations of the wood frog (Lithobates sylvaticus) to test how different settings and amounts of training data influence recognizer performance. Performance was evaluated using precision (the probability of a recognizer match being a true match) and sensitivity (the proportion of vocalizations detected) based on a receiver operating characteristic (ROC) curve‐determined score threshold. Evaluations were conducted using recordings not used to build the recognizer. Wood frog recognizer performance was sensitive to setting changes in four out of nine variables, and small improvements were achieved by using additional training data from different sites and from the same recording, but not from different recordings from the same site. Overall, the effect of changes to variable settings was much greater than the effect of increasing training data. Additionally, by testing the performance of the recognizer on vocalizations not used to build the recognizer, we discovered that Type I error rates appear idiosyncratic and do not recommend extrapolation from training to new data, whereas Type II errors showed more consistency and extrapolation can be justified. Optimizing variable settings on independent recordings led to a better match between recognizer performance and monitoring objectives. We provide general recommendations for application of this methodology with other species and make some suggestions for improvements.
Maximum thermal tolerance trades off with chronic tolerance of high temperature in contrasting thermal populations of Radix balthica
Authors: Johansson Magnus P. , Laurila Anssi 
Published: March 2017

AbstractThermal adaptation theory predicts that thermal specialists evolve in environments with low temporal and high spatial thermal variation, whereas thermal generalists are favored in environments with high temporal and low spatial variation. The thermal environment of many organisms is predicted to change with globally increasing temperatures and thermal specialists are presumably at higher risk than thermal generalists. Here we investigated critical thermal maximum (CTmax) and preferred temperature (Tp) in populations of the common pond snail (Radix balthica) originating from a small‐scale system of geothermal springs in northern Iceland, where stable cold (ca. 7°C) and warm (ca. 23°C) habitats are connected with habitats following the seasonal thermal variation. Irrespective of thermal origin, we found a common Tp for all populations, corresponding to the common temperature optimum (Topt) for fitness‐related traits in these populations. Warm‐origin snails had lowest CTmax. As our previous studies have found higher chronic temperature tolerance in the warm populations, we suggest that there is a trade‐off between high temperature tolerance and performance in other fitness components, including tolerance to chronic thermal stress. Tp and CTmax were positively correlated in warm‐origin snails, suggesting a need to maintain a minimum “warming tolerance” (difference in CTmax and habitat temperature) in warm environments. Our results highlight the importance of high mean temperature in shaping thermal performance curves.
Population structure of Purple Sandpipers (Calidris maritima) as revealed by mitochondrial DNA and microsatellites
Authors: LeBlanc Nathalie M. , Stewart Donald T. , Pálsson Snaebjörn , Elderkin Mark F. , Mittelhauser Glen , Mockford Stephen , Paquet Julie , Robertson Gregory J. , Summers Ron W. , Tudor Lindsay , Mallory Mark L. 
Published: March 2017

AbstractThe Purple Sandpiper (Calidris maritima) is a medium‐sized shorebird that breeds in the Arctic and winters along northern Atlantic coastlines. Migration routes and affiliations between breeding grounds and wintering grounds are incompletely understood. Some populations appear to be declining, and future management policies for this species will benefit from understanding their migration patterns. This study used two mitochondrial DNA markers and 10 microsatellite loci to analyze current population structure and historical demographic trends. Samples were obtained from breeding locations in Nunavut (Canada), Iceland, and Svalbard (Norway) and from wintering locations along the coast of Maine (USA), Nova Scotia, New Brunswick, and Newfoundland (Canada), and Scotland (UK). Mitochondrial haplotypes displayed low genetic diversity, and a shallow phylogeny indicating recent divergence. With the exception of the two Canadian breeding populations from Nunavut, there was significant genetic differentiation among samples from all breeding locations; however, none of the breeding populations was a monophyletic group. We also found differentiation between both Iceland and Svalbard breeding populations and North American wintering populations. This pattern of divergence is consistent with a previously proposed migratory pathway between Canadian breeding locations and wintering grounds in the United Kingdom, but argues against migration between breeding grounds in Iceland and Svalbard and wintering grounds in North America. Breeding birds from Svalbard also showed a genetic signature intermediate between Canadian breeders and Icelandic breeders. Our results extend current knowledge of Purple Sandpiper population genetic structure and present new information regarding migration routes to wintering grounds in North America.
Prediction of right ventricular failure after ventricular assist device implant: systematic review and meta‐analysis of observational studies
Authors: Bellavia Diego , Iacovoni Attilio , Scardulla Cesare , Moja Lorenzo , Pilato Michele , Kushwaha Sudhir S. , Senni Michele , Clemenza Francesco , Agnese Valentina , Falletta Calogero , Romano Giuseppe , Maalouf Joseph , Dandel Michael 
Published: March 2017

AbstractRight ventricular failure (RVF) after left ventricular assist device (LVAD) implantation is associated with increased morbidity and mortality, but the identification of LVAD candidates at risk for RVF remains challenging. We undertook a systematic review and meta‐analysis of observational studies of risk factors associated with RVF after LVAD implant. Thirty‐six studies published between 1 January 1995 and 30 April 2015, comprising 995 RVF patients out of a pooled final population of 4428 patients, were identified. Meta‐analysed prevalence of post‐LVAD RVF was 35%. A need for mechanical ventilation [odds ratio (OR) 2.99], or continuous renal replacement therapy (CRRT; OR 4.61, area under the curve 0.78, specificity 0.91) were the clinical variables with the highest effect size (ES) in predicting RVF. International normalized ratio [INR; standardized mean difference (SMD) 0.49] and N‐terminal pro‐brain natriuretic peptide (NT‐proBNP) (SMD 0.52) were the biochemical markers that best discriminated between RVF and No‐RVF populations, though NT‐proBNP was highly heterogeneous. Right ventricular stroke work index (RVSWI) and central venous pressure (CVP) (SMD −0.58 and 0.47, respectively) were the haemodynamic measures with the highest ES in identifying patients at risk of post‐LVAD RVF; CVP was particularly useful in risk stratifying patients undergoing continuous‐flow LVAD implant (SMD 0.59, P < 0.001, I2 = 20.9%). Finally, pre‐implant moderate to severe right ventricular (RV) dysfunction, as assessed qualitatively (OR 2.82), or a greater RV/LV diameter ratio (SMD 0.51) were the standard echocardiographic measurements with the highest ES in comparing RVF with No‐RVF patients. Longitudinal systolic strain of the RV free wall had the highest ES (SMD 0.73) but also the greatest heterogeneity (I2 = 74%) and was thus only marginally significant (P = 0.05). Patients on ventilatory support or CRRT are at high risk for post‐LVAD RVF, similarly to patients with slightly increased INR, high NT‐proBNP or leukocytosis. High CVP, low RVSWI, an enlarged right ventricle with concomitant low RV strain also identify patients at higher risk.
Myocardial expression of Toll‐like receptor 4 predicts the response to immunosuppressive therapy in patients with virus‐negative chronic inflammatory cardiomyopathy
Authors: Chimenti Cristina , Verardo Romina , Scopelliti Fernanda , Grande Claudia , Petrosillo Nicola , Piselli Pierluca , De Paulis Ruggero , Frustaci Andrea 
Published: March 2017

AbstractAimsWe sought to determine whether myocardial expression of Toll‐like receptor 4 (TLR4) may predict the response to immunosuppression.Methods and resultsEndomyocardial biopsies from 237 patients with virus‐negative inflammatory cardiomyopathy treated with immunosuppression were retrospectively examined for the expression of TLR4, differentiating those patients responding to immunosuppression (n = 193) from non‐responder patients (n = 44). A semiquantitative evaluation of the immunoreactivity (grading from 0 to 4) for TLR4 and human leucocyte antigen (HLA)‐DR was performed together with real‐time PCR and western blot for TLR4. Cardiomyocyte apoptosis and necrosis was evaluated by in situ ligation with hairpin probes. A focal intense positive cytoplasmic immunostaining for TLR4 was observed in cardiomyocytes of all responders (P < 0.001 vs. non‐responders). A grading 2 or above (2+) at baseline showed a sensitivity of 100% and 90.9% specificity with a positive predictive value of 98% as a predictor of an immunosuppression‐positive response. Real‐time PCR and western blot analysis for TLR4 were 4.3‐fold and 4.6‐fold higher, respectively, in responders vs. non‐responders. Correlation between TLR4 grading and TLR4 mRNA molecular and protein expression was highly significant. HLA‐DR did not discriminate between the two groups. Cardiomyocyte death by apoptosis was 3.7‐fold higher in responders vs. non‐responders and significantly correlated with TLR4 expression, while necrosis was comparable. Intensity of baseline TLR4 expression correlated with the variation in ejection fraction after 6 months of immunosuppression.ConclusionTLR4 is highly expressed in human myocarditis responding to immunosuppression. It can be considered as a new sensitive marker in patient selection predicting a good response to immunosuppressive therapy.
Characterization of isomeric glycan structures by LC‐MS/MS
Authors: Veillon Lucas , Huang Yifan , Peng Wenjing , Dong Xue , Cho Byeong Gwan , Mechref Yehia 
Published: March 2017

AbstractThe characterization of glycosylation is critical for obtaining a comprehensive view of the regulation and functions of glycoproteins of interest. Due to the complex nature of oligosaccharides, stemming from variable compositions and linkages, and ion suppression effects, the chromatographic separation of glycans, including isomeric structures, is necessary for exhaustive characterization by MS. This review introduces the fundamental principles underlying the techniques in LC utilized by modern day glycomics researchers. Recent advances in porous graphitized carbon, reverse phase, ion exchange, and hydrophilic interaction LC utilized in conjunction with MS, for the characterization of protein glycosylation, are described with an emphasis on methods capable of resolving isomeric glycan structures.
A systematic review and meta‐analysis of hypocalciuria in pre‐eclampsia
Authors: McMaster Kristen M. , Kaunitz Andrew M. , Burbano de Lara Prardhana , Sanchez‐Ramos Luis 
Published: March 2017

AbstractBackgroundSmall observational studies have demonstrated that pre‐eclampsia is associated with hypocalciuria.ObjectivesTo compare urinary calcium excretion in pre‐eclampsia, gestational hypertension, and chronic hypertension with that in normotensive pregnancies.Search strategyOnline databases were searched through February 2016 using medical subject headings “calcium homeostasis,” “calcium excretion,” “hypocalciuria,” and “pre‐eclampsia.”Selection criteriaObservational studies were included that evaluated calcium excretion with 24‐hour urine collection in patients with pre‐eclampsia compared with normotensive pregnant women.Data collection and analysisData were extracted from identified studies. The primary outcome was 24‐hour urinary calcium excretion. Weighted mean differences (WMDs) with 95% confidence intervals (CIs) were calculated.Main resultsTwenty‐one studies were included. Urinary calcium excretion was lower among women with pre‐eclampsia than among those with normotensive pregnancies (WMD −158.43, 95% CI −187.95 to −128.92) or chronic hypertension (WMD −92.92, 95% CI −100.55 to −85.29). Excretion was also reduced in severe versus mild pre‐eclampsia (WMD −35.00, 95% CI −58.94 to −11.07) and gestational hypertension versus normotensive pregnancies (WMD −50.95, 95% CI −57.74 to −44.17). Calcium excretion was not significantly lower in chronic hypertension versus normotensive pregnancies (WMD −64.45, 95% CI −135.98 to 7.08).ConclusionsUrinary calcium excretion decreases with increasing severity of pregnancy‐induced hypertensive disorders, but this trend is not observed in chronic hypertension.
Pharmacologic Calcitriol Inhibits Osteoclast Lineage Commitment via the BMP-Smad1 and IκB-NF-κB Pathways
Authors: Li Anna , Cong Qian , Xia Xuechun , Leong Wai Fook , Yeh James , Miao Dengshun , Mishina Yuji , Liu Huijuan , Li Baojie 
Published: March 2017

ABSTRACT

Vitamin D is involved in a range of physiological processes and its active form and analogs have been used to treat diseases such as osteoporosis. Yet how vitamin D executes its function remains unsolved. Here we show that the active form of vitamin D calcitriol increases the peak bone mass in mice by inhibiting osteoclastogenesis and bone resorption. Although calcitriol modestly promoted osteoclast maturation, it strongly inhibited osteoclast lineage commitment from its progenitor monocyte by increasing Smad1 transcription via the vitamin D receptor and enhancing BMP-Smad1 activation, which in turn led to increased IκBα expression and decreased NF-κB activation and NFATc1 expression, with IκBα being a Smad1 target gene. Inhibition of BMP type I receptor or ablation of Bmpr1a in monocytes alleviated the inhibitory effects of calcitriol on osteoclast commitment, bone resorption, and bone mass augmentation. These findings uncover crosstalk between the BMP-Smad1 and RANKL-NF-κB pathways during osteoclastogenesis that underlies the action of active vitamin D on bone health. © 2017 American Society for Bone and Mineral Research.
PET/MRI: Where might it replace PET/CT?
Authors: Ehman Eric C. , Johnson Geoffrey B. , Villanueva‐Meyer Javier E. , Cha Soonmee , Leynes Andrew Palmera , Larson Peder Eric Zufall , Hope Thomas A. 
Published: March 2017

Simultaneous positron emission tomography and MRI (PET/MRI) is a technology that combines the anatomic and quantitative strengths of MR imaging with physiologic information obtained from PET. PET and computed tomography (PET/CT) performed in a single scanning session is an established technology already in widespread and accepted use worldwide. Given the higher cost and complexity of operating and interpreting the studies obtained on a PET/MRI system, there has been question as to which patients would benefit most from imaging with PET/MRI versus PET/CT. In this article, we compare PET/MRI with PET/CT, detail the applications for which PET/MRI has shown promise and discuss impediments to future adoption. It is our hope that future work will prove the benefit of PET/MRI to specific groups of patients, initially those in which PET/CT and MRI are already performed, leveraging simultaneity and allowing for greater degrees of multiparametric evaluation.Level of Evidence: 5Technical Efficacy: Stage 5J. Magn. Reson. Imaging 2017;46:1247–1262.