bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantum Interference Enhanced Chemical Responsivity in Single‐Molecule Dithienoborepin Junctions
Authors: Baghernejad Masoud , Van Dyck Colin , Bergfield Justin , Levine David R. , Gubicza Agnes , Tovar John D. , Calame Michel , Broekmann Peter , Hong Wenjing 
Published: September 2019

AbstractProviding a chemical control over charge transport through molecular junctions is vital to developing sensing applications at the single‐molecule scale. Quantum‐interference effects that affect the charge transport through molecules offer a unique chance to enhance the chemical control. Here, we investigate how interference effects can be harnessed to optimize the response of single molecule dithienoborepin (DTB) junctions to the specific coordination of a fluoride ion in solution. The single‐molecule conductance of two DTB isomers is measured using scanning tunneling microscopy break‐junction (STM‐BJ) before and after fluoride ion exposure. We find a significant change of conductance before and after the capture of a fluoride ion, the magnitude of which depends on the position of the boron atom in the molecular structure. This single‐molecule sensor exhibits switching ratios of up to four orders of magnitudes, suggesting that the boron–fluoride coordination can lead to quantum‐interference effects. This is confirmed by a quantum chemical characterization, pointing toward a cross‐conjugated path through the molecular structure as the origin of the effect.
N‐Acenoacenes
Authors: Ahrens Lukas , Hahn Sebastian , Rominger Frank , Freudenberg Jan , Bunz Uwe H. F. 
Published: September 2019

AbstractThe syntheses of new, fourfold alkynylated tetraazaacenoacenes (tetraazaanthracenoanthracene, tetraazatetracenotetracene and tetraazapentacenopentacene) are reported. This novel heteroacenoacene motif exhibits surprisingly strong electronic coupling between its constituting diazaacene units.
Recycling of Water and Valuables in Steel Production
Authors: Ante Angela , Brücher Peter , Kiessling‐Romanus Jens , Wentzel Jörg , Piezanowski Ludivine , Dubois Didier , Iosif Ana‐Maria 
Published: September 2019

AbstractSteel production without water is impossible. Given the increasing water scarcity, SMS group is making great efforts to develop its ecoplants products and processes that are characterized by low energy and water consumption and recycling of valuables. The innovations presented here include process‐integrated solutions like the rotating descaler Piroscale® MAT and the ETL evaporator as well as end‐of‐pipe solutions such as the reclamation of valuables using the Ciroval® process or the recycling of water from cooling circuit blowdown, as implemented in the WEISS project.
Sulfur and Carbon Co‐doped TiO2 Composite Fabricated by Lignosulphonate and Its Suitability for Removal of Cadmium
Authors: Zou Xiao‐Hang , Shang Xu‐Ting , Wang Rui‐Jia , Zhang Ji‐Guo , Pan Qing‐Jiang , Guo Yuan‐Ru 
Published: September 2019

AbstractHighly toxic divalent cadmium causes serious environmental issues. To quickly monitor and/or efficiently remove this potentially toxic metal ion as well as to explore its interfacial chemistry with metal oxides, a sulfur and carbon co‐doped titania (S/C‐TiO2) composite is synthesized via a facile sol‐gel method with the assistance of sodium lignosulphonate (SLS). The prepared composite displays a well‐crystallized TiO2 nanostructure comprising the anatase phase. Both S and C, which are derived from the SLS template, are found to enter the TiO2 lattice. The S/C‐TiO2 composite exhibits a porous structure with a wide pore size distribution. The newly synthesized composite shows adsorption capability for the potentially toxic metal Cd(II). The adsorption process requires <5 min to reach equilibrium. The measured equilibrium adsorption capacity is 19.42 mg g−1, which is twice as high as that of bare TiO2. The removal efficiency is as high as 97%. Moreover, the materials are suitable for contaminated solutions over a wide range of pH values and various initial cadmium concentrations. A mechanism for the enhanced adsorption behavior is also proposed.
Smart Control of Composition for Double Perovskite Electrocatalysts toward Enhanced Oxygen Evolution Reaction
Authors: Sun Hainan , Xu Xiaomin , Chen Gao , Zhou Yupeng , Lin Hong‐Ji , Chen Chien‐Te , Ran Ran , Zhou Wei , Shao Zongping 
Published: September 2019

AbstractDouble perovskites have emerged as efficient candidates for catalyzing the electrochemical oxygen evolution reaction (OER). Smart control of the composition of a B‐site ordered double perovskite can lead to improved catalytic performance. By adopting a facile co‐doping strategy, the OER‐active elements are simultaneously introduced into the B‐site and B′‐site of a B‐site‐ordered double perovskite (A2BB′O6), leading to an enhancement of the exposed reactive sites and an optimum surface chemical state. As a result, a model system built from the substitution of Co for Mo and Fe in the Sr2FeMoO6−δ double perovskite (with a composition of Sr2Fe0.8Co0.2Mo0.6Co0.4O6−δ) shows significantly enhanced OER activity in alkaline media compared with the host material, requiring an overpotential of 345 mV to reach a 10 mA cm−2 current density (catalyst loading≈0.232 mgcat cm−2GEO) and a cell voltage of 1.57 V to afford the same current density for the overall water splitting when coupled with a Pt/C cathode (catalyst loading≈2 mg cm−2). It also demonstrates excellent electrochemical stability. The generalizability of the compositional control methodology has also been demonstrated in double perovskites incorporating transition metals other than Co (e.g., Ni).
Better lucky than good: How savanna trees escape the fire trap in a variable world
Authors: Hoffmann William A. , Sanders R. Wyatt , Just Michael G. , Wall Wade A. , Hohmann Matthew G. 
Published: September 2019

AbstractFire controls tree cover in many savannas by suppressing saplings through repeated topkill and resprouting, causing a demographic bottleneck. Tree cover can increase dramatically if even a small fraction of saplings escape this fire trap, so modeling and management of savanna vegetation should account for occasional individuals that escape the fire trap because they are “better” (i.e., they grow faster than average) or because they are “lucky” (they experience an occasional longer‐than‐average interval without fire or a below‐average fire severity). We quantified variation in growth rates and topkill probability in Quercus laevis (turkey oak) in longleaf pine savanna to estimate the percentage of stems expected to escape the fire trap due to variability in (1) growth rate, (2) fire severity, and (3) fire interval. For trees growing at the mean rate and exposed to the mean fire severity and the mean fire interval, no saplings are expected to become adults under typical fire frequencies. Introducing variability in any of these factors, however, allows some individuals to escape the fire trap. A variable fire interval had the greatest influence, allowing 8% of stems to become adults within a century. In contrast, introducing variation in fire severity and growth rate should allow 2.8% and 0.3% of stems to become adults, respectively. Thus, most trees that escape the fire trap do so because of luck. By chance, they experience long fire‐free intervals and/or a low‐severity fire when they are not yet large enough to resist an average fire. Fewer stems escape the fire trap by being unusually fast‐growing individuals. It is important to quantify these sources of variation and their consequences to improve understanding, prediction, and management of vegetation dynamics of fire‐maintained savannas. Here we also present a new approach to quantifying variation in fire severity utilizing a latent‐variable model of logistic regression.
A one‐pot process for synthesis of mitomycin analogs catalyzed by laccase/lipase optimized by response surface methodology
Authors: Zhang Yuanyuan , Yao Quancai , Li Zewen , Yang Fengke , Wang Fanye , Liu Junhong 
Published: September 2019

AbstractTo reach the excellent yield as well as environmental friendliness, an efficient one‐pot process for the synthesis of 2‐methyl‐3‐n‐butylaminoyl‐1,4‐benzoquinone, a mitomycin‐like compound by the domino reaction of 2‐methyl‐1,4‐hydroquinone and butylamine using laccase/lipase as co‐catalysts, has been developed. In this present study, the process proposed here was further improved by optimizing the relevant factors using the response surface methodology based on Box–Benkhen Design. The optimum condition that afforded the highest yield (98%) of 2‐methyl‐3‐n‐butylaminoyl‐1,4‐benzoquinone was obtained as follows: molar ratio of amines to hydroquinones 1.16:1, activity ratio of laccase to lipase 1.14:2, and reaction temperature 38.9°C. The results obtained indicate that this process may be useful as a green alternative method for higher yield production of mitomycin analogs.
Factors associated with neonatal outcomes in preterm prelabor rupture of membranes after cervical cerclage
Authors: Chen Ying‐Yu , Chen Chie‐Pein , Sun Fang‐Ju , Chen Chen‐Yu 
Published: September 2019

AbstractObjectiveTo evaluate risk factors associated with neonatal morbidity and mortality in pregnant women with preterm prelabor rupture of membranes (PPROM) after cervical cerclage.MethodsA retrospective cohort study of singleton pregnancies with cervical insufficiency was conducted at a tertiary referral center in Taiwan from May 1, 2000 to July 31, 2017. Patients with PPROM after cerclage and delivered between 20 0/7 days and 36 6/7 days were recruited. Logistic and linear regression analyses were performed to evaluate various risk factors.ResultsOverall, 109 women were included. Mothers with a higher white blood cell count, a higher C‐reactive protein (CRP) level, a lower amniotic fluid index, and chorioamnionitis were significantly associated with neonatal morbidity. Neonatal mortality was related to oligohydramnios (adjusted odds ratio [aOR] 2.98, 95% confidence interval [CI] 1.11–8.01) and chorioamnionitis (aOR 3.17, 95% CI 1.03–9.69). An elevated CRP level was associated with a shorter PPROM to delivery latency (adjusted B −16.64, 95% CI −29.88 to −3.41), but cerclage retention more than 12 hours after PPROM was associated with a prolonged latency (adjusted B 17.21, 95% CI 3.25–31.18).ConclusionOligohydramnios and chorioamnionitis are associated with neonatal mortality.
Pneumatosis cystoides intestinalis linked to sunitinib treatment for renal cell carcinoma
Authors: Shikuma Hiroyuki , Inoue Shogo , Hatayama Tomoya , Mukai Sakurako , Muto Masayuki , Miyamoto Shunsuke , Sadahide Kosuke , Fujii Shinsuke , Sekino Yohei , Goto Keisuke , Shinmei Shunsuke , Hieda Keisuke , Hayashi Tetsutaro , Teishima Jun , Matsubara Akio 
Published: September 2019

IntroductionPneumatosis cystoides intestinalis is a rare condition characterized by air‐filled cysts within intestinal walls. It can be caused by various factors. We report a case of pneumatosis cystoides intestinalis linked to sunitinib treatment for renal cell carcinoma.Case presentationA 67‐year‐old female with advanced renal cell carcinoma who had been treated with sunitinib visited our hospital complaining of abdominal pain. Computed tomography scans showed diffuse air‐filled cystic formation of intestine. We treated with conservative therapy, and she recovered. However, although air‐filled cysts disappeared in the images, intraoperative findings in the resection of a recurrent paracaval lymph node showed a thinning of the intestine.ConclusionIt is necessary to consider pneumatosis cystoides intestinalis when a patient using a tyrosine kinase inhibitor complains of abdominal symptoms. It should also be noted that the effect of pneumatosis cystoides intestinalis may remain even if pneumatosis disappears from the image on tomography scans.
Prediction of some thermodynamic properties of sulfonamide drugs using genetic algorithm‐multiple linear regressions
Authors: Dadfar Etratsadat , Shafiei Fatemeh 
Published: September 2019

AbstractA quantitative structure–property relationship (QSPR) has been widely developed to derive a correlation between chemical structures of molecules and their known properties. In the present study, the applicability of various molecular descriptors is tested for the QSPR study on 60 sulfonamide drugs (sulfa drugs). A training set of 50 sulfa drugs is used to construct QSPR models for the prediction of thermodynamic properties such as enthalpy of formation (ΔHf/kJ mol−1) and Gibbs free energy (ΔGf/kJ mol−1). These properties are analyzed at the B3LYP/6‐31G* level using Gaussian 98 software. The QSPR models were optimized using multiple linear regression (MLR) analysis. The Genetic algorithm and backward method were used to reduce the number of descriptors derived from the Dragon software. The multicollinearity and autocorrelation properties of the descriptors contributed in the models were tested by calculating the variance inflation factor (VIF), Pearson correlation coefficient (PCC), and the Durbin–Watson (DW) statistics. The predictive powers of the models are discussed using leave‐one‐out cross‐validation (LOOCV) and external validation methods. The statistical coefficients of the models were found to be satisfactory. Thus, QSPR models derived from this study may be helpful for designing some new sulfa drugs and for predicting their properties.
Anti‐retroviral therapy scale‐up and its impact on sex‐stratified tuberculosis notification trends in Uganda
Authors: Zawedde‐Muyanja Stella , Manabe Yukari C , Musaazi Joseph , Mugabe Frank R , Ross Jennifer M , Hermans Sabine 
Published: September 2019

AbstractIntroductionIn order to end the tuberculosis (TB) epidemic by 2035, countries must achieve a 10% annual decline in tuberculosis incidence rates by 2025. Provision of antiretroviral therapy (ART) has been associated with population level decreases in TB notification rates. We aimed to assess whether the progressive scale‐up of ART provision over the past nine years has had an effect on population level trends of TB notification in Uganda stratified by sex and HIV status.MethodsThe study area consisted of Kampala and eight surrounding districts. Annual TB notifications and mid‐year populations were used to calculate notification rates per 100,000 population from the study area. Numbers alive and retained on ART were used to calculate ART coverage, overall and by sex. TB notification rates (TBNRs) overall and stratified by sex and HIV status were calculated for the period 2009 to 2017. Trends in TBNRs before and after rollout of universal ART for pregnant women in 2013 were examined using Poisson regression models. To gain insight into the trends in CD4+ T‐cell counts at ART initiation over the study period, we performed a sub analysis of patient level data from the Infectious Diseases Institute clinic.ResultsFrom 2009 to 2017, ART coverage increased by 27.6% among men and by 35.4% among women. TBNRs declined during the same period. Overall, the average annual percentage decline in TBNRs was −3.5% (95%CI −3.7% to −3.3%), (−2.3% (95%CI −2.6% to −1.9%) in men and −5.4% (95%CI −5.7% to −5.0%) in women). ART coverage increased after 2013 but this was not associated with an accelerated decline in overall TBNRs among HIV‐positive persons −3.6% before 2013 and −5.2% after 2013; p = 0.33. The proportion of patients initiating ART with CD4+ T‐cell count ≤ 200 cells/mL did not decrease significantly after 2013 (42.2% to 32.2%, p = 0.05).ConclusionsAlthough ART scale‐up was temporally associated with a decline in TB notification rates, the achieved rates of decline are below those required to achieve the End TB Targets. Additional investments in tuberculosis control should include efforts to promote earlier care seeking and ART initiation among HIV‐positive persons.
Meta‐analysis of ultrasound‐guided vs conventional vascular access for cardiac electrophysiology procedures
Authors: Wang Tom Kai Ming , Wang Michael Tzu Min , Martin Andrew 
Published: September 2019

AbstractBackgroundVascular complications are common during invasive cardiac electrophysiology procedures. This meta‐analysis compares outcomes following ultrasound and nonultrasound‐guided vascular access for these procedures.MethodsPubMed, Embase and Cochrane 01/01/1980‐30/09/2018 were searched for relevant studies to meta‐analyse.ResultsSeven studies (6269 patients) were included. Pooled rates and odds ratio(95% confidence interval) for ultrasound and nonultrasound subgroups were 1.2% vs 3.0%, 0.32 (0.21‐0.49) for all vascular complications, with less hematomas and arterial punctures but similar arteriovenous fistulas, pseudoaneurysms or retroperitoneal bleeds.ConclusionUltrasound guidance had less complications due to less hematoma and arterial puncture, and is generally recommended for electrophysiology procedures.
Prevalence of atrial high‐rate episodes and the risk factors in Indian patients with cardiac implantable electronic devices: Real‐world data
Authors: Banerjee Suvro , Majumdar Suchit , Konar Aritra 
Published: September 2019

AbstractBackgroundIn patients with cardiac implantable electronic devices (CIEDs), atrial high‐rate episodes (AHREs) are associated with an increased risk of developing atrial fibrillation (AF) and thromboembolism. We report here the characteristics of “real‐world” patients that may be associated with the occurrence of AHREs.MethodsThis was an observational, cross‐sectional, data collection study. Data of 234 patients with dual‐chamber CIEDs, who visited our clinic over a period of 3 months, were evaluated. Occurrence of AHRE was defined as atrial tachyarrhythmia with an atrial rate of ≥180 beats/min lasting for ≥5 minutes. Multivariate logistic regression analyses were performed to evaluate clinical risk factors associated with AHRE.ResultsThe mean age of the group was 66.9 ± 9.95 years, and 25% were females. AHREs were recorded in 48 (21%) patients. Multivariate logistic regression analysis revealed that hypertension (HTN) (OR = 4.14; 95% CI: 1.74‐9.85; P = .0013) and type II diabetes mellitus (T2DM) (OR = 2.09; 95% CI: 1.04‐4.23; P = .0392) were significantly and independently associated with the occurrence of AHRE.ConclusionThis real‐world data report the prevalence of and risk factors associated with AHRE occurrence in Indian patients with dual‐chamber CIED. Known risk factors for AF, such as HTN and diabetes mellitus, were also associated with AHRE occurrence, thus supporting the risk prediction for AF, stroke, or thromboembolism in such patient population.
Association of NLRP3 and CARD8 Inflammasome Polymorphisms With Aseptic Loosening After Primary Total Hip Arthroplasty
Authors: Mavčič Blaž , Antolič Vane , Dolžan Vita 
Published: September 2019

ABSTRACTOur aim was to investigate the association of inflammasome polymorphisms NLRP3 rs35829419 (p. Q705K) and CARD8 rs2043211 (p. C10X) with aseptic loosening of total hip endoprostheses. We asked whether patients with the loosening of total hip arthroplasty earlier than 15 years after primary implantation had a higher proportion of the polymorphisms Q705K and C10X in comparison to subjects without loosening. A retrospective case–control study compared 36 patients with total hip endoprosthesis loosening earlier than 15 years after primary implantation and 51 control subjects with unloosened total hip endoprostheses, matched for gender, age, and follow‐up period. Buccal mucosa samples were used for genomic DNA analysis and genotyped for NLRP3 rs35829419 and CARD8 rs2043211 using a fluorescence‐based competitive allele‐specific real‐time polymerase chain reaction. The proportion of subjects with both wild‐type NLRP3 and CARD8 (i.e., without Q705K or C10X) was considerably higher in the control group when compared with patients with early total hip arthroplasty loosening (49% vs. 28%; p = 0.05). After adjustment for gender, age, and follow‐up, patients with combined wild type of both NLRP3 and CARD8 had significantly smaller odds for early implant loosening (odds ratio 0.33, p = 0.02). Investigated polymorphisms may influence several inflammatory pathways and contribute to the loosening of artificial implants with potential clinical significance for the appropriate selection of patients and endoprostheses when planning elective total hip arthroplasty. © 2019 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 38:417‐421, 2020
Macronutrient Analysis of Modified‐Fat Breast Milk Produced by 3 Methods of Fat Removal
Authors: Barbas Kimberly H. , O'Brien Kendra , Forbes Peter W. , Belfort Mandy B. , Connor Jean Anne , Thiagarajan Ravi R. , Huh Susanna Y. 
Published: September 2019

AbstractBackgroundInfants with chylothorax after congenital heart disease surgery are commonly treated using modified‐fat breast milk. The effect of fat removal on breast milk macronutrients remains unclear. We compared macronutrient content of breast milk with breast milk skimmed using 3 methods, including a novel device, a cream separator.MethodsThawed frozen breast milk samples from 30 women were defatted using refrigerated centrifuge, cream separator, and manual separation after refrigeration. We used standard assays to measure energy, protein, and fat content of breast milk samples.ResultsAll fat removal methods yielded skimmed breast milk with substantially lower fat and energy content. Mean energy content in breast milk skimmed by centrifuge (36.7 [SD 3.6] kcal/100 mL) was similar to that from cream separator (38.8 [3.5] kcal/100 mL). Both centrifuge and cream separator methods removed almost all fat and substantially more fat than the manual fat removal method. For unprocessed milk, energy and fat content estimated by creamatocrit was similar to reference method measurements; in skimmed milk, the creamatocrit significantly overestimated fat content. Mean protein content of skimmed breast milk was similar to unprocessed breast milk (mean 1.25 [0.31] g/100 mL).ConclusionBreast milk fat removal did not significantly alter protein levels. In skimmed breast milk, the overestimation of fat content using creamatocrit method suggests a need for more accurate bedside methods to assess macronutrient content. The similar macronutrient composition of breast milk skimmed by cream separator and centrifuge suggests the potential for cream separator use as a new, portable defatting method for hospitals and families.