bluuebunny/crossref_metadata_2025_split huggingface dataset:
The atrioventricular conduction axis and the aortic root—Inferences for transcatheter replacement of the aortic valve
Authors: Macías Yolanda , Tretter Justin T. , Sánchez‐Quintana Damián , Cabrera José‐Angel , Spicer Diane E. , de Almeida Marcos C. , Anderson Robert H. 
Published: September 2021

AbstractConduction problems still occur following transcatheter aortic valvar replacement. With this in mind, we have assessed the relationship of the conduction axis to the aortic root. We used serial histological sections, made perpendicular to the base of the triangle of Koch in nine hearts, and perpendicular to the aortic root in 11 hearts. We first defined the extent of the fibrous tissues forming the boundaries of an infero‐septal recess of the subaortic outflow tract, found in all datasets but one. When the recess was present, the axis penetrated through its rightward wall, giving rise to the left bundle branch prior to entering the outflow tract. The axis itself was usually on the crest of the ventricular septum, but could be deviated leftward or rightward. Its proximity to the virtual basal plane reflected the angulation of the muscular septum. On average, the superior edge of the left bundle was within 3.3 mm of the hinge of the right coronary leaflet, with a range from 0.4 to 10.2 mm. The arrangement was markedly different in the case lacking an infero‐septal recess. Our findings necessitated a redefinition of the right fibrous trigone and the central fibrous body. The atrioventricular conduction axis, having entered the aortic root, is usually closest at the hinge of the right coronary leaflet. Knowledge of the depth of the infero‐septal recess, and the angulation of the muscular ventricular septal, may help to avoid conduction problems following transcatheter implantation of the aortic valve.
Effectiveness of various human papillomavirus vaccination strategies: A community randomized trial in Finland
Authors: Lehtinen Matti , Apter Dan , Eriksson Tiina , Harjula Katja , Hokkanen Mari , Natunen Kari , Nieminen Pekka , Paavonen Jorma , Palmroth Johanna , Petäjä Tiina , Pukkala Eero , Vänskä Simopekka , Cheuvart Brigitte , Soila Maaria , Bi Dan , Struyf Frank 
Published: September 2021

AbstractIntroductionWe conducted a community‐randomized trial (NCTBLINDED) in Finland to assess gender‐neutral and girls‐only vaccination strategies with the AS04‐adjuvanted human papillomavirus (HPV)‐16/18 (AS04‐HPV‐16/18)vaccine.MethodsGirls and boys (12−15 years) were invited. We randomized 33 communities (1:1:1 ratio): Arm A: 90% of randomly selected girls and boys received AS04‐HPV‐16/18 vaccine and 10% received hepatitis B vaccine (HBV); Arm B: 90% of randomly selected girls received AS04‐HPV‐16/18 vaccine, 10% of girls received HBV, and all boys received HBV; Arm C: all participants received HBV. Effectiveness measurements against prevalence of HPV‐16/18 cervical infection were estimated in girls at 18.5 years. The main measures were: (1) overall effectiveness comparing Arms A or B, regardless of vaccination status, vs Arm C; (2) total effectiveness comparing AS04‐HPV‐16/18 vaccinated girls in pooled Arms A/B vs Arm C; (3) indirect effectiveness (herd effect) comparing girls receiving HBV or unvaccinated in Arm A vs Arm C. Co‐primary objectives were overall effectiveness following gender‐neutral or girls‐only vaccination.ResultsOf 80,272 adolescents invited, 34,412 were enrolled. Overall effectiveness was 23.8% (95% confidence interval: −19.0, 51.1; P = 0.232) with gender‐neutral vaccination. Following girls‐only vaccination, overall effectiveness was 49.6% (20.1, 68.2; P = 0.004). Total effectiveness was over 90% regardless of vaccination strategy. No herd effect was found. Immunogenicity of the AS04‐HPV‐16/18 vaccine was high in both sexes.ConclusionsThis study illustrates the difficulty in conducting community randomized trials. It is not plausible that vaccinating boys would reduce overall effectiveness, and the apparent lack of herd effect was unexpected given findings from other studies. This analysis was likely confounded by several factors but confirms the vaccine's high total effectiveness as in clinical trials.
Lifetime predictions of prestressed concrete bridges—Evaluating parameters of relevance using Sobol' indices
Authors: Sanio David , Ahrens Mark Alexander , Mark Peter 
Published: September 2021

AbstractThe residual structural lifetime of concrete bridges is often limited by fatigue of the prestressing steel. In practice, numerical calculations of the structure are combined with Miner's rule—based on load frequencies and stress amplitudes—to estimate the damage. Thereby, various parameters must be accounted for whereof a few are actually relevant. Structural monitoring is valuable to increase the accuracy of lifetime predictions, but usually experts choose the right parameters on experience only. A more objective assessment can be reached by sensitivity analysis. A powerful method is provided by Sobol's variance‐based indices. They quantify the influence of a single parameter's variance on the model's total variance and account for interactions in nonlinear models, too. Exemplified on a reference structure, sensitivity indices are determined. Meanwhile specific characteristics like the nonlinear behavior of concrete after cracking are considered. In this case, the key elements of lifetime prediction turn out to be the time‐dependent losses of prestress and the traffic loads.
RuNi Alloy Nanoparticles Encapsulated in Oxygen‐Doped Carbon as Bifunctional Catalyst towards Hydrogen Electrocatalysis
Authors: Yuan Qing , Yang Yang , Gong Shipeng , Chen Shi , Huang Minxue , Wang Changlai , Tong Huigang , Chen Qianwang 
Published: September 2021

Main observation and conclusionThe efficient production and utilization of hydrogen play an important role in the closed loop of energy conversion. It is an urgent need to find low‐cost and high‐performance replacements for platinum‐based catalysts towards hydrogen oxidation reaction (HOR) and hydrogen evolution reaction (HER). Herein, bifunctional RuNi alloy nanoparticles embedded in oxygen‐doped carbon were prepared via simple annealing of Ru‐doped Ni‐BTC, the limiting current density of which could reach 2.46 mA/cm2 (close to Pt) in 0.1 mol/L KOH for HOR. And the low overpotentials of only 29 mV in 1 mol/L KOH and 62 mV in 0.5 mol/L H2SO4 were needed to reach the current density of 10 mA/cm2 for HER. The effect of alloying and oxygen‐doped graphene contributed to the excellent activity and stability during hydrogen electrocatalysis. This work provides new ideas for the development of novel types of hydrogen electrocatalysts and enriches the application of MOFs in HOR.
Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity
Authors: Qiu Hui , Ali Zahid , Bowlan Julian , Caldwell Richard , Gardberg Anna , Glaser Nina , Goutopoulos Andreas , Head Jared , Johnson Theresa , Maurer Christine , Georgi Katrin , Grenningloh Roland , Fang Zhizhou , Morandi Federica , Rohdich Felix , Schmidt Ralf. , Follis Ariele Viacava , Sherer Brian 
Published: September 2021

AbstractBruton's tyrosine kinase (BTK) is a member of the Tec kinase family that is expressed in cells of hematopoietic lineage. Evidence has shown that inhibition of BTK has clinical benefit for the treatment of a wide array of autoimmune and inflammatory diseases. Previously we reported the discovery of a novel nicotinamide selectivity pocket (SP) series of potent and selective covalent irreversible BTK inhibitors. The top molecule 1 of that series strongly inhibited CYP2C8 (IC50=100 nM), which was attributed to the bridged linker group. However, our effort on the linker replacement turned out to be fruitless. With the study of the X‐ray crystal structure of compound 1, we envisioned the opportunity of removal of this liability via transposition of the linker moiety in 1 from C6 to C5 position of the pyridine core. With this strategy, our optimization led to the discovery of a novel series, in which the top molecule 18 A displayed reduced CYP inhibitory activity and good potency. To further explore this new series, different warheads besides acrylamide, for example cyanamide, were also tested. However, this effort didn't lead to the discovery of molecules with better potency than 18 A. The loss of potency in those molecules could be related to the reduced reactivity of the warhead or reversible binding mode. Further profiling of 18 A disclosed that it had a strong hERG (human Ether‐a‐go‐go Related Gene) inhibition, which could be related to the phenoxyphenyl group.
Decoration of Squalenoyl‐Gemcitabine Nanoparticles with Squalenyl‐Hydroxybisphosphonate for the Treatment of Bone Tumors
Authors: Rodríguez‐Nogales Carlos , Desmaële Didier , Sebastián Víctor , Couvreur Patrick , Blanco‐Prieto María J. 
Published: September 2021

AbstractTherapeutic perspectives of bone tumors such as osteosarcoma remain restricted due to the inefficacy of current treatments. We propose here the construction of a novel anticancer squalene‐based nanomedicine with bone affinity and retention capacity. A squalenyl‐hydroxybisphosphonate molecule was synthetized by chemical conjugation of a 1‐hydroxyl‐1,1‐bisphosphonate moiety to the squalene chain. This amphiphilic compound was inserted onto squalenoyl‐gemcitabine nanoparticles using the nanoprecipitation method. The co‐assembly led to nanoconstructs of 75 nm, with different morphology and colloidal properties. The presence of squalenyl‐hydroxybisphosphonate enhanced the nanoparticles binding affinity for hydroxyapatite, a mineral present in the bone. Moreover, the in vitro anticancer activity was preserved when tested in commercial and patient‐treated derived pediatric osteosarcoma cells. Further in vivo studies will shed light on the potential of these nanomedicines for the treatment of bone sarcomas.
Performance of Plasma Coproporphyrin I and III as OATP1B1 Biomarkers in Humans
Authors: Neuvonen Mikko , Tornio Aleksi , Hirvensalo Päivi , Backman Janne T. , Niemi Mikko 
Published: September 2021

A previous study in 356 healthy Finnish volunteers showed that glycochenodeoxycholate 3‐O‐glucuronide (GCDCA‐3G) and glycodeoxycholate 3‐O‐glucuronide (GDCA‐3G) are promising biomarkers of organic anion transporting polypeptide 1B1 (OATP1B1). In the same cohort, we now evaluated the performances of two other OATP1B1 biomarkers, coproporphyrin I (CPI) and III (CPIII), and compared them with GCDCA‐3G and GDCA‐3G. Based on decreased (*5 and *15) and increased (*14 and *20) function SLCO1B1 haplotypes, we stratified the participants to poor, decreased, normal, increased, and highly increased OATP1B1 function groups. Fasting plasma CPI concentration was 68% higher in the poor (95% confidence interval, 44%, 97%; P = 1.74 × 10−10), 7% higher in the decreased (0%, 15%; P = 0.0385), 10% lower in the increased (3%, 18%; P = 0.0087), and 23% lower in the highly increased (1%, 40%; P = 0.0387) function group than in the normal function group. CPIII concentration was 27% higher (7%, 51%; P = 0.0071) in the poor function group than in the normal function group. CPI and CPIII detected poor OATP1B1 function with areas under the precision‐recall curve (AUPRC) of 0.388 (95% confidence interval, 0.197, 0.689) and 0.0798 (0.0485, 0.203), and receiver operating characteristic curve (AUROC) of 0.888 (0.851, 0.919) and 0.731 (0.682, 0.776). The AUPRC and AUROC of GCDCA‐3G were, however, 0.389 (0.258, 0.563) and 0.100 (−0.0046, 0.204; P = 0.0610) larger than those of CPI, and 0.697 (0.555, 0.831) and 0.257 (0.141, 0.373; P < 0.0001) larger than those of CPIII. In conclusion, these data indicate that plasma CPI outperforms CPIII in detecting altered OATP1B1 function, but GCDCA‐3G is an even more sensitive OATP1B1 biomarker than CPI.
Improving the Efficiency of Organic Solar Cells by Introducing Perylene Diimide Derivative as Third Component and Individually Dissolving Donor/Acceptor
Authors: Lu Hao , Liu Juncheng , Liu Yahui , Xu Xinjun , Bo Zhishan 
Published: September 2021

AbstractA perylene diimide (PDI) derivative was used as the third component to prepare high‐efficiency ternary organic solar cells (OSCs). PDI derivatives usually bear a wide bandgap and a long exciton diffusion length, which could be helpful to promote the device efficiency and still retain a high open‐circuit voltage (Voc). Compared with the binary OSC, the photovoltaic performance improved. Further changing the method for preparing the processing solutions from dissolving the polymer donor and small‐molecule acceptor ITTC together to dissolving them individually, molecular packing in the deposited active layer could be adjusted and the short‐circuit current density could be increased. As a result, the final device efficiency in such OSCs achieved 12.29 % power conversion efficiency (PCE) with a high Voc of 0.93 V. When using the PDI derivative as the third component to D18 : BTP‐eC9‐based OSCs, a high PCE of 17.38 % was obtained, which is the best one among photovoltaic devices employing PDI derivatives.
Electrochemical Reductive Arylation of Nitroarenes with Arylboronic Acids
Authors: Wang Dan , Wan Zhaohua , Zhang Heng , Alhumade Hesham , Yi Hong , Lei Aiwen 
Published: September 2021

AbstractThe synthesis of diarylamine is extremely important in organic chemistry. Herein, a novel electrochemical reductive arylation of nitroarenes with arylboronic acids was developed. A variety of diarylamines were synthesized without the need for transition‐metal catalysts. The reaction could be scaled up efficiently in a flow cell and several derivatization reactions were carried out smoothly. Cyclic voltammetry experiments and mechanism studies showed that acetonitrile, formic acid, and triethyl phosphite all played a role in promoting this reductive arylation transformation.
Electrochemical Nitration with Nitrite
Authors: Blum Stephan P. , Nickel Christean , Schäffer Lukas , Karakaya Tarik , Waldvogel Siegfried R. 
Published: September 2021

AbstractAromatic nitration has tremendous importance in organic chemistry as nitroaromatic compounds serve as versatile building blocks. This study represents the electrochemical aromatic nitration with NBu4NO2, which serves a dual role as supporting electrolyte and as a safe, readily available, and easy‐to‐handle nitro source. Stoichiometric amounts of 1,1,1‐3,3,3‐hexafluoroisopropan‐2‐ol (HFIP) in MeCN significantly increase the yield by solvent control. The reaction mechanism is based on electrochemical oxidation of nitrite to NO2, which initiates the nitration reaction in a divided electrolysis cell with inexpensive graphite electrodes. Overall, the reaction is demonstrated for 20 examples with yields of up to 88 %. Scalability is demonstrated by a 13‐fold scale‐up.
Estimating preharvest density, adult sex ratio, and fecundity of white‐tailed deer using noninvasive sampling techniques
Authors: Brommer Jon E. , Poutanen Jenni , Pusenius Jyrki , Wikström Mikael 
Published: September 2021

AbstractAdult sex ratio and fecundity (juveniles per female) are key population parameters in sustainable wildlife management, but inferring these requires abundance estimates of at least three age/sex classes of the population (male and female adults and juveniles). Prior to harvest, we used an array of 36 wildlife camera traps during 2 and 3 weeks in the early autumn of 2016 and 2017, respectively. We recorded white‐tailed deer adult males, adult females, and fawns from the pictures. Simultaneously, we collected fecal DNA (fDNA) from 92 20 m × 20 m plots placed in 23 clusters of four plots between the camera traps. We identified individuals from fDNA samples with microsatellite markers and estimated the total sex ratio and population density using spatial capture–recapture (SCR). The fDNA‐SCR analysis concluded equal sex ratio in the first year and female bias in the second year, and no difference in space use between sexes (fawns and adults combined). Camera information was analyzed in a spatial capture (SC) framework assuming an informative prior for animals’ space use, either (a) as estimated by fDNA‐SCR (same for all age/sex classes), (b) as assumed from the literature (space use of adult males larger than adult females and fawns), or (c) by inferring adult male space use from individually identified males from the camera pictures. These various SC approaches produced plausible inferences on fecundity, but also inferred total density to be lower than the estimate provided by fDNA‐SCR in one of the study years. SC approaches where adult male and female were allowed to differ in their space use suggested the population had a female‐biased adult sex ratio. In conclusion, SC approaches allowed estimating the preharvest population parameters of interest and provided conservative density estimates.
Evaluating potential sources of invasive wild pigs in Ontario
Authors: Koen Erin L. , Newton Erica J. , Ellington E. Hance 
Published: September 2021

AbstractInvasive wild pigs (Sus scrofa) are considered one of the most damaging species globally, and once they become established in an area, they are notoriously difficult to eliminate. As such, identifying the potential pathways of invasion, especially in places with emerging populations, is critical for preventing new or continued invasion. Wild pigs have been reported in Ontario, Canada, in recent years. We tested four nonexclusive hypotheses about the source of wild pigs in Ontario: (a) escapees from captive sources within Ontario; (b) invasion from neighboring jurisdictions; (c) existing wild populations within Ontario; and (d) translocation and illegal release. We found that sightings of Eurasian wild boar were closer to premises with wild boar than were random locations; wild boar sightings were an average of 16.3 km (SD = 25.4 km, min = 0.2 km,n = 20) from premises with wild boar. We also found that sightings of domestic pigs were closer to domestic pig farms than expected. Sightings of wild pigs in groups of more than four animals were rare. Our results suggest that wild pigs observed in Ontario are recent escapes from captivity, recognizing that there may be established groups of wild pigs that we have not yet detected. While not common, we also received reports indicating that in the past, wild pigs have been translocated and illegally released. Other North American jurisdictions that have been successful at eliminating wild pigs have removed existing populations and changed regulations to limit future invasion, such as prohibiting possession and transport of wild boar and prohibiting hunting of wild pigs.
Optimization of Aqueous Enzymatic Microwave Assisted Extraction of Macadamia Oil And Evaluation of Its Chemical Composition, Physicochemical Properties, and Antioxidant Activities
Authors: Ma Fei‐Yue , Wei Zuo‐Fu , Zhang Ming , Shuai Xi‐Xiang , Du Li‐Qing 
Published: September 2021

AbstractThis study presents the green and effective aqueous enzymatic process assisted microwave extraction (AEME) to preparate macadamia nut oil (MNO). The conditions of the extraction process are optimized (extraction temperature 50 °C, extraction time 64 min, enzyme concentration 1.60% (w/w), and irradiation power 450 W). An oil yield of 58.09 ± 0.63% is achieved under these optimal conditions. The scanning electron micrograph (SEM) analysis of nuts before and after extraction illustrates that AEME promotes the emancipation of oil stored within the organelles. Gas chromatography‐flame ionization detector (GC‐FID) analysis reveals the fatty acid compositions of MNOs obtained by AEME and the Soxhlet extraction (SE) are similar and mainly dominated by monounsaturated fatty acids beneficial to human health which is higher in MNO than in any other known food. Moreover, gas chromatography‐mass spectrometry (GC‐MS) analysis reveals higher amounts of more odoriferous oxygenated terpenes is present in the MNO extracted by AEME in comparison with SE. The physicochemical properties of AEME oil are more excellent than those of SE oil. Moreover, AEME oil exhibits superior antioxidant capacities. In conclusion, green AEME gives relatively satisfactory yield and better retains the fragrance and functionality of MNO.Practical Applications: The present study provides a green extraction method and valuable data for the process design as well as industrial scale‐up applications. In addition, compared to the nonsustainable and environmentally nonfriendly traditional method, AEME preserves the initial composition of the flavor substances and enhances the extraction of healthy beneficial compounds in MNO. Therefore, AEME oil can be used to develop functional edible oils or even in medicinal, cosmetic, and pharmaceutical preparations.
Financialization, common stochastic trends, and commodity prices
Authors: Kupabado Moses M. , Kaehler Juergen 
Published: September 2021

AbstractCommodity financialization has been a subject of discussion since the 2008 financial crisis. It is estimated that between 2003 and 2008, index investorsʼ positions increased from $13 billion to $317 billion. Surprisingly, most studies, predominantly based on Granger‐causality testing, find no relationship between financialization and commodity prices. We examine the effects of shocks to the common stochastic trends in the index positions, the spot and futures prices of Chicago corn and soybeans, WTI crude oil and Henry Hub natural gas. The results show that financialization has contributed to the price movements of these commodities.
Cross‐well pressure test analysis for CO2 plume characterization based on arrival time and peak pressure change observations
Authors: Zeidouni Mehdi 
Published: September 2021

AbstractCO2 migration from the injection zone into an upper zone is possible through potential migration paths such as improperly abandoned wells or other weaknesses in the caprock overlying the injection zone. Various monitoring technologies may be used to obtain information on the resulting CO2 plume in an overlying zone. Cross‐well pressure testing—where water is to be injected/produced at a well and the pressure response to be observed at monitoring well(s)—has been previously investigated to characterize the CO2 plume. However, the methods proposed in the literature are not simple and may be computationally expensive either in forward modeling, inverse modeling, or both. For the cross‐well test analysis proposed herein, both the forward solution—a closed‐form analytical model—and the inverse model—a well‐posed overdetermined system of nonlinear equations—are simple. Consequently, a simple analysis methodology is presented to invert the cross‐well test data to obtain important information on the plume. To achieve this simplified approach, the migrated CO2 plume is assumed circular in shape with constant gaseous CO2 fraction over the plume area. The analysis methodology is first validated using a single‐phase model with a circular heterogeneity. Next, the methodology is applied to synthetic cross‐well pressure test data for a two‐phase system with CO2 plume. The arrival times and peak pressure change values from multiple monitoring wells are used to estimate the location and size of the plume. The estimated values are in good agreement with the actual plume size and locations used in generating the synthetic data. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd.