bluuebunny/crossref_metadata_2025_split huggingface dataset:
Polystyrene‐Supported Palladium (Pd@PS)‐Catalyzed Carbonylative Annulation of Aryl Iodides Using Oxalic Acid as a Sustainable CO Source for the Synthesis of 2‐Aryl Quinazolinones
Authors: Ram Shankar , Shaifali  , Chauhan Arvind Singh , Sheetal  , Sharma Ajay Kumar , Das Pralay 
Published: July 2019

AbstractAn efficient and convenient strategy for the synthesis of diversely substituted quinazolinones from o‐carbamoyl/cyano aniline and aryl iodides using oxalic acid as a CO source under polystyrene supported palladium (Pd@PS) nanoparticles (NPs) catalyzed conditions has been developed. In this study, oxalic acid has been employed as safe, economic, environmentally benign, sustainable and bench‐stable, solid CO surrogate under Double‐Layer‐Vial (DLV) system for the synthesis of 2‐aryl quinazolinones. This methodology does not require any special high‐pressure equipment like autoclaves, microwaves, etc. Moreover, a simple procedure for catalyst preparation, catalyst recyclability, easy handling of reaction, additive and base‐free generation of CO, excellent to good yields and vast substrate scope are the additional features of developed protocol.
Reversible C=C Bond Activation by an Intramolecularly Coordinated Antimony(I) Compound
Authors: Kořenková Monika , Hejda Martin , Erben Milan , Jirásko Robert , Jambor Roman , Růžička Aleš , Rychagova Elena , Ketkov Sergey , Dostál Libor 
Published: July 2019

AbstractThe reaction of N,C,N‐chelated stibinidene ArSb (1) (Ar=C6H3‐2,6‐(CH=NtBu)2) with selected N‐alkyl/aryl‐maleimides RN(C(O)CH)2(R=Me,tBu, Ph) gave the addition products with bridged bicyclic [2.2.1] structure containing an antimony atom at the bridgehead position, fused with a 6‐membered benzene and a 5‐membered N‐alkyl/aryl‐pyrrolidine ring. These compounds were completely characterized. More importantly, additional studies showed that these reactions are reversible in solution, thereby representing an unprecedented reversible activation of a C=C bond by an antimony(I) compound.
Double Phosphinoboration of CO2: A Facile Route to Diphospha‐Ureas
Authors: LaFortune James H. W. , Qu Zheng‐Wang , Bamford Karlee L. , Trofimova Alina , Westcott Stephen A. , Stephan Douglas W. 
Published: July 2019

AbstractThe reactions of CO2 with a series of phosphinoboranes, including R2PBpin (R=Ph, tBu; pin=pinacol), R2PBMes2 (R=Ph, tBu; Mes=2,4,6‐Me3‐C6H2), and R2PBcat (R=Ph, tBu, Mes; cat=catechol) are described. Although R2PBpin and R2PBMes2 afford products of the form R2PCO2Bpin (R=Ph 1, tBu 4) and R2PCO2BMes2 (R=Ph 2, tBu 3), respectively, R2PBcat lead to further reaction affording the diphospha‐ureas, (R2P)2CO (R=Ph 5, tBu 6, Mes 7), together with O(Bcat)2. Computational studies provide insight into the mechanism, revealing an intermediate derived from double phosphinoboration of CO2.
Prediction of bubble terminal velocity in surfactant aqueous solutions
Authors: Zheng Kaixin , Li Chen , Yan Xiaokang , Zhang Haijun , Wang Lijun 
Published: July 2019

AbstractBubble terminal velocity has a significant effect on gas holdup, residence time, and efficiency of the interface transfer. Surfactant is often required to generate small and stable bubbles in gas‐liquid two‐phase devices. In this paper, bubble terminal velocities were obtained for different surfactant aqueous solutions using high‐speed CCD (charged couple device) system and digital image analysis technology. Experimental results showed that available correlations were not able to accurately predict terminal velocity of bubbles rising in surfactant aqueous solutions. Thus, a new correlation is proposed based on experimental data and it provides an accurate approximation of bubble terminal velocity. The average relative error for the proposed correlation is determined to be 7.2% in MIBC aqueous solutions, 4.5% in OP‐10 aqueous solutions, and 4.6% in 2‐octanol aqueous solutions. The proposed correlation agrees well with experiment data from literate within ranges of the Morton number, Mo, the bubble Reynolds number, Re, and the Eötvös number, Eo: 3.29 × 10−11<Mo<4.29, 0.08<Re<1062, 0.04<Eo<91.16.
Rhodium‐Catalyzed Defluorinative Vinylation of gem‐Difluoroalkenes for the Synthesis of 2‐Fluoro‐1,3‐dienes
Authors: Song Shengjin , Liu Huan , Wang Lu , Zhu Chuan , Loh Teck‐Peng , Feng Chao 
Published: July 2019

Summary of main observation and conclusionHerein, we present a strategy for the formation of 2‐fluoro‐1,3‐diene derivatives via rhodium‐catalyzed direct C(sp2)—C(sp2) cross‐coupling of gem‐difluoroalkenes and acrylamides. By merging Rh(III)‐catalyzed C(sp2)–H bond activation and nucleophilic addition/F‐elimination of gem‐difluoroalkene, an efficient defluorinative vinylation reaction is uncovered, which leads to the generation of 2‐fluoro‐1,3‐dienes in moderate to good yields with excellent stereoselectivity under mild conditions. Preliminary mechanistic study suggests unique effects of fluorine substituents which allow the reactivity profile not observed with the congeners bearing heavier halides.
Site of extranodal metastasis impacts survival in patients with testicular germ cell tumors
Authors: Patel Hiten D. , Singla Nirmish , Ghandour Rashed A. , Freifeld Yuval , Cheaib Joseph G. , Woldu Solomon L. , Pierorazio Phillip M. , Bagrodia Aditya 
Published: July 2019

BackgroundUsing a large, nationally representative, population‐based cancer registry, this study systematically evaluated the impact of the location and burden of extranodal testicular germ cell tumor (TGCT) metastases on survival.MethodsMen with stage III TGCTs captured by the Surveillance, Epidemiology, and End Results registry from 2010 to 2015 with distant extranodal metastases were identified. Clinicopathologic information was collected, and patients were subdivided according to the specific organ site or sites of metastatic involvement (lung, liver, bone, and/or brain). Kaplan‐Meier analysis and multivariable Cox regression were used to evaluate cancer‐specific survival (CSS), and model performance was assessed with Harrell's C statistic.ResultsNine hundred sixty‐nine patients with stage III TGCTs were included with predominantly nonseminomatous histology (84%). Most patients (91%) had pulmonary metastases, whereas 20%, 10%, and 10% had liver, bone, and brain metastases, respectively. Over a median follow‐up of 21 months, 19% of these men died of TGCTs. When they were grouped by the primary site of metastasis, patients with more than 1 extrapulmonary metastasis exhibited the worst CSS (hazard ratio [HR] vs isolated pulmonary involvement, 4.27; 95% confidence interval [CI], 2.60‐7.00; P < .01). Among patients with isolated extrapulmonary involvement, those with brain metastases had the poorest survival (HR, 3.24; 95% CI, 1.98‐5.28; P < .01), and they were followed by patients with liver (HR, 2.29; 95% CI, 1.56‐3.35; P < .01) and bone metastases (HR, 1.97; 95% CI, 1.11‐3.50; P = .02). Harrell's C statistic (multivariable) was 0.71.ConclusionsThe site of metastatic involvement affects survival outcomes for patients with TGCTs, and this may reflect both the aggressive biology and the challenging treatment of these tumors. Further incorporation of organotropism into current prognostic models for metastatic TGCTs warrants attention.
Functional Metal Oxides in Perovskite Solar Cells
Authors: Wang Jintao , Liu Yunfei , Chen Xiaotian , Chen Chen , Chen Ping , Wang Zhaokui , Duan Yu 
Published: July 2019

AbstractAs extremely important inorganic materials, metal oxides play an irreplaceable role in solid perovskite solar cells. In this review, the preparation methods of metal oxides, their effects on the perovskite optoelectronic devices incorporated with the energy level compatibility of perovskite materials are provided. Finally, the possible reactions between interfaces during growth progress as well as passivation mechanism of some metal oxides to perovskite materials are discussed. The physical, chemical, and electrical properties of functional metal oxides endow the enhancement of the efficiency and stability of perovskite photovoltaic devices.
Fundamental Properties of Transition‐Metals‐Adsorbed Graphene
Authors: Tran Ngoc Thanh Thuy , Nguyen Duy Khanh , Lin Shih‐Yang , Gumbs Godfrey , Lin Ming‐Fa 
Published: July 2019

AbstractThe revealing properties of transition metal (T)‐doped graphene systems are investigated with the use of the first‐principles method. The detailed calculations cover the bond length, position and height of adatoms, binding energy, atom‐dominated band structure, adatom‐induced free carrier density as well as energy gap, spin‐density distributions, spatial charge distribution, and atom‐, orbital‐ and spin‐projected density‐of‐states (DOS). The magnetic configurations are clearly identified from the total magnetic moments, spin‐split energy bands, spin‐density distributions and spin‐decomposed DOS. Moreover, the single‐ or multi‐orbital hybridizations in T−C, T−T, and C−C bonds can be accurately deduced from the careful analyses of the above‐mentioned physical quantities. They are responsible for the optimal geometric structure, the unusual electronic properties, as well as the diverse magnetic properties. All the doped systems are metals except for the low‐concentration Ni‐doped ones with semiconducting behavior. In contrast, ferromagnetism is exhibited in various Fe/Co‐concentrations but only under high Ni‐concentrations. Our theoretical predictions are compared with available experimental data, and potential applications are also discussed.
Quantitative Prediction of CYP3A4‐ and CYP3A5‐Mediated Drug Interactions
Authors: Guo Yingying , Lucksiri Aroonrut , Dickinson Gemma L. , Vuppalanchi Raj K. , Hilligoss Janna K. , Hall Stephen D. 
Published: July 2019

We verified a physiologically‐based pharmacokinetic (PBPK) model to predict cytochrome P450 3A4/5‐mediated drug‐drug interactions (DDIs). A midazolam (MDZ)–ketoconazole (KTZ) interaction study in 24 subjects selected by CYP3A5 genotype, and liquid chromatography and mass spectroscopy quantification of CYP3A4/5 abundance from independently acquired and genotyped human liver (n = 136) and small intestinal (N = 12) samples, were conducted. The observed CYP3A5 genetic effect on MDZ systemic and oral clearance was successfully replicated by a mechanistic framework incorporating the proteomics‐informed CYP3A abundance and optimized small intestinal CYP3A4 abundance based on MDZ intestinal availability (FG) of 0.44. Furthermore, combined with a modified KTZ PBPK model, this framework recapitulated the observed geometric mean ratio of MDZ area under the curve (AUCR) following 200 or 400 mg KTZ, which was, respectively, 2.7–3.4 and 3.9–4.7‐fold in intravenous administration and 11.4–13.4 and 17.0–19.7‐fold in oral administration, with AUCR numerically lower (P > 0.05) in CYP3A5 expressers than nonexpressers. In conclusion, the developed mechanistic framework supports dynamic prediction of CYP3A‐mediated DDIs in study planning by bridging DDIs between CYP3A5 expressers and nonexpressers.
Autoimmune Effects of Lung Cancer Immunotherapy Revealed by Data‐Driven Analysis on a Nationwide Cohort
Authors: Yang Shihao , Yu Kun‐Hsing , Palmer Nathan , Fox Kathe , Kou S. C. , Kohane Isaac S. 
Published: July 2019

The autoimmune adverse effects of lung cancer immunotherapy are not fully understood at the population level. Using observational data from commercial health insurance claims, we compared autoimmune diseases risk of immune checkpoint inhibitors (including pembrolizumab and nivolumab) and that of chemotherapy using the matching method. By 6 months after treatment initialization, the cumulative incidence of new autoimmune diseases among patients receiving immunotherapy was 13.13% (95% confidence interval (CI), 10.79–15.50%) and that of the matched chemotherapy patients was 6.65% (95% CI, 5.79–7.50%), constituting a hazard ratio (HR) of 1.97 (95% CI, 1.58–2.48). Both pembrolizumab (HR = 2.06 (95% CI, 1.20–3.65), P = 0.0032) and nivolumab (HR = 1.76 (95% CI, 1.39–2.24), P < 0.0001) were associated with higher risks of developing autoimmune diseases, especially for hypothyroidism (P < 0.0001). Our findings suggest the need to monitor autoimmune side effects of immunotherapy.
APC mutational patterns in gastric adenocarcinoma are enriched for missense variants with associated decreased survival
Authors: Rubinstein Jill C. , Khan Sajid A. , Christison‐Lagay Emily R. , Cha Charles 
Published: July 2019

AbstractAdenomatous polyposis coli (APC) mutations are causally associated with familial adenomatous polyposis (FAP) and are recurrent somatic events across numerous tumor types, including gastric adenocarcinoma. Severity of disease in FAP correlates with specific APC mutations, but the impact of given mutations on phenotype in gastric cancer is not well studied. Sequencing data from the Genomic Data Commons (GDC) demonstrate an APC mutational pattern in gastric cancer that differs dramatically from that seen in colon cancer. Exome sequencing data from APC‐mutant colon and gastric adenocarcinomas in GDC was filtered for single nucleotide variants (SNVs) using MuTect2 Variant Aggregation and Masking pipeline, Somatic Aggregation Workflow. APC mutations were found in 57/441 gastric (12.9%) and 309/433 colon adenocarcinomas (71.4%). There was a significant difference in the proportion of stopgain, frameshift, and missense mutations between tumor types(P < .00001). Colon tumors were predominated by frameshift and stopgains, comprising 47.7% and 35.7%, respectively. In contrast, 47.1% of gastric mutations were missense. Gastric tumors harboring missense mutations showed decreased overall survival relative to other mutational subtypes(P = .008). In the gastric samples, 25.9% of frameshift and stopgain mutations are in the 3′ portion of the gene, compared to 1.4% of colon samples. APC mutations demonstrate different distributions in gastric and colon adenocarcinoma, with a shift toward missense variants in gastric tumors and worse survival in gastric tumors harboring them. As different mutations confer variable degrees of protein dysfunction and resultant clinical manifestation, expanded investigation of specific mutational patterns will prove integral to future‐risk stratification strategies.
The clinical and economic burden among caregivers of patients with Alzheimer's disease in Canada
Authors: Szabo Shelagh , Lakzadeh Pardis , Cline Stephanie , Palma dos Reis Rodrigo , Petrella Robert 
Published: July 2019

ObjectiveTo estimate the clinical and direct medical economic burden among Alzheimer disease (AD) caregivers using real‐world, longitudinal patient‐level data in Canada.Methods/DesignThis retrospective observational study assessed the clinical and direct medical economic burden among individuals who cohabitate with AD patients (“AD caregiver cohort”) compared with older adults who were cohabiting with another adult without dementia (“comparison cohort”) using real‐world data from the Southwestern Ontario database, a representative Canadian electronic health record (EHR) longitudinal EHR.ResultsThe AD caregiver cohort (n = 2749; mild AD: n = 2254, moderate AD: n = 302, and severe AD, n = 193) had a similar or higher level of clinical and economic burden than the comparison cohort (n = 12 152). The overall AD cohort and caregivers of patients with mild AD had a similar clinical burden to the comparison cohort. Those caregiving for more severely affected AD patients had an increased risk of comorbidities and required more medication, physician attention, and hospital encounters compared with caregivers of less severe AD patients and the comparison cohort. Mean annual costs were higher among the AD caregiver cohort than the comparison cohort, and those caregiving for moderate and severe AD patients incurred the highest costs. Overall mortality was higher in the AD caregiver cohort compared with the comparison cohort.ConclusionsCaregivers of patients with mild AD had a similar clinical and direct economic burden to older adults who were not dementia caregivers, whereas the burden among caregivers of moderate and severe AD patients was much greater.
Phase II trial with axitinib in recurrent and/or metastatic salivary gland cancers of the upper aerodigestive tract
Authors: Locati Laura D. , Cavalieri Stefano , Bergamini Cristiana , Resteghini Carlo , Alfieri Salvatore , Calareso Giuseppina , Bossi Paolo , Perrone Federica , Tamborini Elena , Quattrone Pasquale , Granata Roberta , Galbiati Donata , Platini Francesca , Orlandi Ester , Mariani Luigi , Licitra Lisa 
Published: July 2019

AbstractBackgroundPatients with prognosis recurrent/metastatic (R/M) salivary gland carcinomas (SGCs) are poor. Activity of axitinib was demonstrated in adenoid cystic carcinoma (ACC). We tested axitinib in a larger cohort of R/M SGCs including non‐ACC.MethodsAxitinib was administered at 10 mg daily (dose escalation allowed) until progression or unacceptable toxicity. Null hypothesis would be rejected if more than 3 of 26 responses were observed.ResultsTwenty‐six patients (50% were male; 6 ACC, 20 non‐ACC) were treated. Response rate was 8% (2 partial responses), 13 stable disease (>6 months in 7 patients) and 11 disease progression. Median progression‐free survival and overall survival were 5.5 and 26.2 months, respectively. All patients had at least one adverse event: stomatitis (69%), fatigue (58%) and hypertension (54%) were the most frequent.ConclusionsThis trial did not meet its primary endpoint hence axitinib should not be considered for further investigations in SGCs. Safety profile was in line with the scientific literature.
HIV, antiretroviral therapy and non‐communicable diseases in sub‐Saharan Africa: empirical evidence from 44 countries over the period 2000 to 2016
Authors: Coetzee Lelani , Bogler Lisa , De Neve Jan‐Walter , Bärnighausen Till , Geldsetzer Pascal , Vollmer Sebastian 
Published: July 2019

AbstractIntroductionThe HIV‐infected population is growing due to the increased accessibility of antiretroviral therapy (ART) that extends the lifespan of people living with HIV (PLHIV). We aimed to assess whether national HIV prevalence and ART use are associated with an increased prevalence of cardiovascular risk factors.MethodsUsing country‐level data, we analysed the effect of HIV prevalence and use of ART on cardiovascular risk factors in 44 countries in sub‐Saharan Africa between 2000 and 2016. We used fixed‐effects estimation to quantify the effect of HIV and ART on the prevalence of diabetes, mean body mass index, the prevalence of overweight, obesity and hypertension, and mean systolic blood pressure. The models were adjusted for calendar time, the age structure of the population, income and education.ResultsDiabetes prevalence among PLHIV was 5.8 percentage points higher (95% confidence interval (CI) 1.8 pp to 9.8 pp) compared to individuals without HIV. People receiving ART had a 4.6 percentage point higher prevalence (95% CI 2.6 pp to 6.6 pp). The prevalence of obesity was increased by 14.7 percentage points (95% CI 2.5 pp to 26.9 pp) for PLHIV. Receiving ART was associated with an increased obesity prevalence by 14.0 percentage points (95% CI 4.8 pp to 23.2 pp), whereas it had no significant association with the prevalence of overweight. The population aged 40 to 59 had a significantly higher prevalence of diabetes, overweight and obesity. HIV prevalence and ART use had no significant association with the prevalence of hypertension.ConclusionsAn ageing HIV‐infected population on ART is associated with a significant increase in the prevalence of diabetes and obesity in sub‐Saharan Africa. The increasing prevalence of these cardiovascular risk factors emphasizes the need for comprehensive healthcare programmes that screen and treat both HIV and non‐communicable diseases to decrease the associated morbidity and mortality rates.
Leukocyte‐ and platelet‐rich fibrin is an effective membrane for lateral ridge augmentation: An in vivo study using a canine model with surgically created defects
Authors: Lee Jun‐Beom , Lee Jung‐Tae , Hwang Sukhyun , Choi Jung‐Yoo , Rhyu In‐Chul , Yeo In‐Sung L. 
Published: July 2019

AbstractBackgroundLeukocyte‐ and platelet‐rich fibrin (L‐PRF) has been suggested to enhance bone healing and the effects of L‐PRF need to be evaluated in lateral residual alveolar bone augmentation. This in vivo study aimed to analyze the effects of L‐PRF as a membrane on bone regeneration in lateral residual alveolar augmentation.MethodsEight mongrel dogs were used; the mandibular premolars were extracted and then three lateral ridge defects were surgically created on each side of the arch. After 4 weeks, guided bone ridge augmentation was performed in each defect with the following treatment groups: N+D (nonresorbable membrane with deproteinized bovine bone mineral [DBBM]), N+B (nonresorbable membrane with β‐tricalcium phosphate [β‐TCP]), R+D (resorbable membrane with DBBM), R+B (resorbable membrane with β‐TCP), and P+D (L‐PRF with DBBM), and P+B (L‐PRF and β‐TCP). Following 4 weeks of bone healing, the new bone amount for each group was measured by light microscopy (primary outcome) and microcomputed tomography (micro‐CT) (secondary outcome). The mean values were compared at the 0.05 significance level.ResultsThe P+D group showed the most newly formed bone in histology and in micro‐CT analyses. L‐PRF was more effective in bone regeneration when compared to nonresorbable and resorbable barrier membranes. Additionally, this study indicated DBBM was the more favorable osseous graft material for bone regeneration than β‐TCP when barrier membranes are used.ConclusionFrom the results of this in vivo study using surgically created defects, L‐PRF plays an effective role as a barrier membrane for lateral ridge augmentation. L‐PRF may be an excellent barrier membrane in place of other nonresorbable and resorbable membranes.
Surfactant Crystals as Stimulable Foam Stabilizers: Tuning Stability with Counterions
Authors: Zhang Li , Wang Haiting , Zheng Bin , Du Huiling , Salonen Anniina 
Published: July 2019

AbstractThe demands on foam stability are variable and changing, which is why design of foams that are both ultrastable and stimulable is important. We study foams stabilized using surfactant particles made through precipitation of sodium dodecyl sulfate with alkali chlorides. We have previously shown that depending on the concentrations of surfactant and salt, the foams can be ultrastable or age like common surfactant foams. We now show that the adsorption of surfactant crystals changes with the type of salt added and how the crystals are made, as well as the surfactant concentration. We see differences in foam stability if the crystals are made prior to foaming or if they are formed concomitantly with foaming. The adsorption of the crystals is improved if the crystals are made during generation, possibly because of their smaller size. The foams destabilize when heated above the Krafft boundary. We show that through tuning the surfactant concentration and salt type or concentration, we can modulate the melting temperature, and hence the destruction temperature of foam between 22 and 50 °C. Precipitated surfactant particles are versatile alternatives to stabilize ultrastable and stimulable foams.